BDBM50526787 CHEMBL4437966

SMILES [H][C@]12OCC[C@@]1([H])[C@H](CO2)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1)OC(=O)CCCSSCCCC(=O)OC[C@H]1C[C@H](C=C1)n1cnc2c(NC3CC3)nc(N)nc12

InChI Key InChIKey=NMPBJJJCSCUGRY-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50526787   

TargetATP-dependent translocase ABCB1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50526787(CHEMBL4437966)
Affinity DataIC50: 80nMAssay Description:Inhibition of P-gp in human CMEC/D3 cells using calcein-AM as substrate after 30 mins by flow cytometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50526787(CHEMBL4437966)
Affinity DataIC50: 500nMAssay Description:Inhibition of P-gp in human 12D7-MDR cells using calcein-AM as substrate after 30 mins by flow cytometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50526787(CHEMBL4437966)
Affinity DataIC50: 90nMAssay Description:Inhibition of P-gp in human CMEC/D3 cells using NBD-Aba as substrate after 30 mins by flow cytometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50526787(CHEMBL4437966)
Affinity DataIC50: 510nMAssay Description:Inhibition of P-gp in human 12D7-MDR cells using NBD-Aba as substrate after 30 mins by flow cytometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed