BDBM50305083 3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydro-pyrazino[1',2':1,6]pyrido[3,4-b]indol-3-yl)-propionic acid tert-butyl ester::3-((3S,6S,12aS)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydro-pyrazino[1',2':1,6]pyrido[3,4-b]indol-3-yl)-propionic acid tert-butyl ester::CHEMBL488910::Ko-143::Ko143::US9695174, Ko143

SMILES CC(C)C[C@H]1c2c(c3ccc(cc3[nH]2)OC)C[C@@H]4N1C(=O)[C@@H](NC4=O)CCC(=O)OC(C)(C)C

InChI Key InChIKey=NXNRAECHCJZNRF-UHFFFAOYSA-N

Data  56 IC50  17 EC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 73 hits for monomerid = 50305083   

TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataEC50:  10nMAssay Description:Inhibition of BCRP (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataIC50: 227nMAssay Description:Inhibition of GFP-fused human ABCG2 expressed in MDCK2 cells assessed as Hoechst 33342 accumulation preincubated for 30 mins followed by Hoechst 3334...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataIC50: 202nMAssay Description:Inhibition of ABCG2 (unknown origin) expressed in MDCK2 cells co-expressing BCRP (unknown origin) assessed as effect on pheophorbide A accumulation p...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataIC50: 170nMAssay Description:Inhibition of human ABCG2 expressed in Sf9 insect cell membranes assessed as inhibition of quercetin-stimulated ATPase activity after 30 mins by colo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataEC50:  90nMAssay Description:Inhibition of ABCG2 (unknown origin)-mediated mitoxantrone efflux expressed in HEK293 cells after 30 mins by flow cytometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataEC50:  70nMAssay Description:Inhibition of ABCG2-mediated mitoxantrone efflux in mitoxantrone-selected human H460 cells after 30 mins by flow cytometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataEC50:  5.40nMAssay Description:Inhibition of BCRP (unknown origin) expressed in human HEK293/R2 cells assessed as potentiation of mitoxantrone-induced cytotoxicity after 5 days by ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetATP-dependent translocase ABCB1(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataEC50:  1.06E+3nMAssay Description:Inhibition of P-gp (unknown origin) expressed in human LCC6MDR cells assessed as reversal of paclitaxel resistance after 5 days by MTS/PMS assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataEC50:  9nMAssay Description:Inhibition of BCRP in human MCF7/MX100 cells assessed as reversal of topotecan resistance after 5 days by MTS/PMS assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataEC50:  8.70nMAssay Description:Inhibition of BCRP (unknown origin) transfected in HEK293/R2 cells assessed as reversal of topotecan resistance after 5 days by MTS/PMS assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataIC50: 221nMAssay Description:Inhibition of c-terminal GFP-tagged human ABCG2 expressed in MDCK2 cells preincubated for 30 mins before Hoechst 33342 addition by Hoechst 33342 accu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetMultidrug resistance-associated protein 1(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataEC50:  1.80E+3nMAssay Description:Inhibition of MRP1 (unknown origin) expressed in human 2008/MRP1 cells assessed as potentiation of mitoxantrone-induced cytotoxicity after 5 days by ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataIC50: 24nMAssay Description:Inhibition of BCRP (unknown origin) transfected in human HEK293/R2 cells assessed as potentiation of topotecan-induced cytotoxicity measured as topot...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetATP-dependent translocase ABCB1(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataEC50:  943nMAssay Description:Inhibition of P-gp (unknown origin) expressed in human LCC6MDR cells assessed as potentiation of mitoxantrone-induced cytotoxicity after 5 days by MT...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetMultidrug resistance-associated protein 1(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataEC50:  1.95E+3nMAssay Description:Inhibition of MRP1 (unknown origin) expressed in human 2008/MRP1 assessed as reversal of doxorubicin resistance after 5 days by MTS/PMS assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataIC50: 233nMAssay Description:Inhibition of ABCG2 in human PLB-985 cells assessed as increase in accumulation of Hoechst 33342 preincubated for 30 mins followed by Hoechst 33342 a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/29/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataIC50: 221nMAssay Description:Inhibition of C-terminal GFP-fused human ABCG2 expressed in MDCK2 cells preincubated for 30 mins followed by Hoechst 33342 addition and measured ever...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataIC50: 227nMAssay Description:Inhibition of human GFP-fused ABCG2 expressed in MDCK2 cells assessed as reduction in Hoechst 33342 efflux preincubated for 30 mins followed by Hoech...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataIC50: 84nMAssay Description:Inhibition of ABCG2 ATPase activity (unknown origin) expressed in baculovirus infected high5 cell membranes after 20 mins by ascorbic acid ammonia mo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataEC50:  90nMAssay Description:Inhibition of ABCG2 (unknown origin) in HEK293 cells assessed as maximal inhibition of mitoxantrone efflux by fluorescence based flow cytometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataIC50: 7.10nMAssay Description:Inhibition of ABCG2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataEC50:  50nMAssay Description:Inhibition of ABCG2 (unknown origin)-mediated mitoxantrone effluxMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataEC50:  652nMAssay Description:Inhibition of human ABCG2 expressed in dog MDCK-II cells mediated mitoxantrone efflux incubated for preincubated for 15 mins followed by mitoxantrone...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataIC50: 10nMAssay Description:Inhibition of human ABCG2 expressed in dog MDCK-II-BCRP cells mediated pheophorbide A efflux preincubated with PhA followed by compound addition and ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetATP-dependent translocase ABCB1(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataIC50: 8.68E+4nMAssay Description:Reversal of P-gp-mediated multidrug resistance in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity at 5 uM by measuri...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed
TargetMultidrug resistance-associated protein 1(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataIC50: 8.00E+3nMAssay Description:Inhibition of ABCC1 mediated etoposide resistant in human 2008 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2022
Entry Details Article
PubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataIC50: 274nMAssay Description:Inhibition of human ABCG2 expressed in MDCK2 cells co-expressing GFP preincubated for 15 mins followed by pheophorbideA addition and measured after 2...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataIC50: 220nMAssay Description:Inhibition of human ABCG2 expressed in MDCK2 cells co-expressing GFP preincubated for 30 mins followed by Hoechst 33342 addition and measured every 6...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataIC50: 227nMAssay Description:Inhibition of c-terminal GFP-tagged human ABCG2 expressed in MDCK2 cells preincubated for 30 mins before Hoechst 33342 addition by Hoechst 33342 accu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetATP-dependent translocase ABCB1(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataIC50: 271nMAssay Description:Inhibition of sulfasalazine-stimulated ABCB1 ATPase activity (unknown origin) expressed in baculovirus infected Sf9 insect cells using ATP as substra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataEC50:  70nMAssay Description:Activation of ABCB1 ATPase activity (unknown origin) expressed in baculovirus infected Sf9 insect cells using ATP as substrate measured after 1 hr by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
TargetMultidrug resistance-associated protein 1(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataIC50: 6.65E+3nMAssay Description:Inhibition of human ABCC1 transfected in MDCK2-MRP1 cells using calcein-AM as substrate measured after 1 hr by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataIC50: 92nMAssay Description:Inhibition of ABCG2 in topotecan-cultured human MCF7 cells using Hoechst 33342 as substrate measured after 2 hrs by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataIC50: 221nMAssay Description:Inhibition of human ABCG2 expressed in MDCK2 cells assessed as reduction in Hoechst 33342 efflux pre-incubated for 30 mins before Hoechst 33342 addit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataIC50: 28nMAssay Description:Inhibition of human ABCG2 expressed in baculovirus infected Sf9 cell membrane assessed as inhibition of vanadate sensitive quercetin-stimulated ATPas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataIC50: 4nMAssay Description:Inhibition of human ABCG2 expressed in baculovirus infected Sf9 cell membrane assessed as inhibition of vanadate sensitive basal ATPase activity afte...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataIC50: 221nMAssay Description:Inhibition of c-terminal GFP-tagged human ABCG2 expressed in MDCK2 cells preincubated for 30 mins before Hoechst 33342 addition by Hoechst 33342 accu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataIC50: 230nMAssay Description:Inhibition of BCRP expressed in MCF7 MX cells by Hoechst 33342 stainingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/31/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataIC50: 330nMAssay Description:Inhibition of BCRP in human MCF7/MX cells assessed as Hoechst 33342 accumulation preincubated for 30 mins by FluorometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/22/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataIC50: 210nMAssay Description:Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 stainingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataIC50: 74nMAssay Description:Inhibition of BCRP expressed in MDCK cells by pheophorbide A assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/31/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataIC50: 240nMAssay Description:Inhibition of human C-terminal GFP-tagged ABCG2 expressed in MDCK2 cells using pheophorbide A as substrate preincubated for 20 mins followed by subst...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/12/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataIC50: 24nMAssay Description:Modulation of BCRP (unknown origin) transfected in human HEK293/R2 cells assessed as potentiation of topotecan-induced cytotoxicity measured as topot...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/10/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataIC50: 128nMAssay Description:Inhibition of GFP-tagged human BCRP expressed in MDCK2 cells pre-incubated for 30 mins followed by Hoechst 33342 addition and further incubated for 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataIC50: 90nMAssay Description:Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/10/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataIC50: 390nMAssay Description:Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 stainingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataIC50: 260nMAssay Description:Inhibition of human BCRP expressed in MDCK2 cells assessed as Hoechst 33342 accumulation preincubated for 30 mins by fluorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/22/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataEC50:  12nMAssay Description:Inhibition of ABCG2 (unknown origin) transfected in HEK293 cells assessed as inhibition of mitoxantrone efflux at 5 uM after 30 mins in presence of 0...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataEC50:  29nMAssay Description:Inhibition of ABCG2 (unknown origin) transfected in HEK293 cells assessed as inhibition of mitoxantrone efflux after 30 mins by flow cytometry relati...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 3A4/3A5(Human)
Millennium Pharmaceuticals

US Patent
LigandPNGBDBM50305083(Ko143 | Ko-143 | 3-((3S,6S)-6-Isobutyl-9-methoxy-1...)
Affinity DataIC50: 3.00E+4nMpH: 7.4 T: 2°CAssay Description:Human liver microsomes (HLMs) (0.3 mg/mL in 0.1-M potassium phosphate buffer, pH 7.4) are incubated with CYP (cytochromes P450) isozyme-selective sub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/26/2018
Entry Details
Go to US Patent

Displayed 1 to 50 (of 73 total ) | Next | Last >>