BDBM50600733 CHEMBL5182534

SMILES CC(C)(F)c1nc(no1)C12CCC(CN(C(=O)[C@H]3C[C@@](O)(C3)C(F)(F)F)c3cccc(c3)-c3ccc(cc3)C(C)(C)O)(CC1)CC2

InChI Key InChIKey=AEMZJBZKICOPPC-UHFFFAOYSA-N

Data  11 IC50  8 EC50

  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 19 hits for monomerid = 50600733   

TargetCytochrome P450 2C19(Human)
Biocon-Bristol Myers Squibb Research and Development Center

Curated by ChEMBL
LigandPNGBDBM50600733(CHEMBL5182534)
Affinity DataIC50: 7.00E+3nMAssay Description:Inhibition of recombinant CYP2C19 (unknown origin) using fluorogenic substrate preincubated for 15 min followed by NADPH addition measured after 2 hr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Biocon-Bristol Myers Squibb Research and Development Center

Curated by ChEMBL
LigandPNGBDBM50600733(CHEMBL5182534)
Affinity DataIC50: 4.50E+3nMAssay Description:Inhibition of hERG by patch clamp assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetUDP-glucuronosyltransferase 1A1(Human)
Biocon-Bristol Myers Squibb Research and Development Center

Curated by ChEMBL
LigandPNGBDBM50600733(CHEMBL5182534)
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of human UGT1A1More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetBile salt export pump(Human)
Biocon-Bristol Myers Squibb Research and Development Center

Curated by ChEMBL
LigandPNGBDBM50600733(CHEMBL5182534)
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of BSEP (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetSolute carrier organic anion transporter family member 1B3(Human)
Biocon-Bristol Myers Squibb Research and Development Center

Curated by ChEMBL
LigandPNGBDBM50600733(CHEMBL5182534)
Affinity DataIC50: 1.35E+4nMAssay Description:Inhibition of OATP1B3 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Biocon-Bristol Myers Squibb Research and Development Center

Curated by ChEMBL
LigandPNGBDBM50600733(CHEMBL5182534)
Affinity DataIC50: 8.00E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using fluorogenic substrate preincubated for 15 min followed by NADPH addition measured after 2 hrs by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetCytochrome P450 2C8(Human)
Biocon-Bristol Myers Squibb Research and Development Center

Curated by ChEMBL
LigandPNGBDBM50600733(CHEMBL5182534)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2C8 in human liver microsomes using fluorogenic substrate preincubated for 15 min followed by NADPH addition measured after 2 hrs by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Biocon-Bristol Myers Squibb Research and Development Center

Curated by ChEMBL
LigandPNGBDBM50600733(CHEMBL5182534)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using fluorogenic substrate preincubated for 15 min followed by NADPH addition measured after 2 hrs by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetCytochrome P450 2C19(Human)
Biocon-Bristol Myers Squibb Research and Development Center

Curated by ChEMBL
LigandPNGBDBM50600733(CHEMBL5182534)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using fluorogenic substrate preincubated for 15 min followed by NADPH addition measured after 2 hrs b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Biocon-Bristol Myers Squibb Research and Development Center

Curated by ChEMBL
LigandPNGBDBM50600733(CHEMBL5182534)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using fluorogenic substrate preincubated for 15 min followed by NADPH addition measured after 2 hrs by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetBile acid receptor(Human)
Biocon-Bristol Myers Squibb Research and Development Center

Curated by ChEMBL
LigandPNGBDBM50600733(CHEMBL5182534)
Affinity DataEC50:  34nMAssay Description:Agonist activity at Gal4-fused human FXR in HEK293 cells incubated for 15 min by luciferase reporter assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Biocon-Bristol Myers Squibb Research and Development Center

Curated by ChEMBL
LigandPNGBDBM50600733(CHEMBL5182534)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of recombinant CYP2C9 (unknown origin) using fluorogenic substrate preincubated for 15 min followed by NADPH addition measured after 2 hrs...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetNuclear receptor subfamily 1 group I member 2(Human)
Biocon-Bristol Myers Squibb Research and Development Center

Curated by ChEMBL
LigandPNGBDBM50600733(CHEMBL5182534)
Affinity DataEC50:  5.00E+4nMAssay Description:Transactivation of PXR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetRNA-binding protein FXR2(Human)
Biocon-Bristol Myers Squibb Research and Development Center

Curated by ChEMBL
LigandPNGBDBM50600733(CHEMBL5182534)
Affinity DataEC50:  389nMAssay Description:Agonist activity at human FXR2 expressed in Huh-7 cells coexpressing BSEPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetRNA-binding protein FXR2(Human)
Biocon-Bristol Myers Squibb Research and Development Center

Curated by ChEMBL
LigandPNGBDBM50600733(CHEMBL5182534)
Affinity DataEC50:  85nMAssay Description:Agonist activity at human FXR2 expressed in HEK293 cells coexpressing IBABPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetRNA-binding protein FXR2(Human)
Biocon-Bristol Myers Squibb Research and Development Center

Curated by ChEMBL
LigandPNGBDBM50600733(CHEMBL5182534)
Affinity DataEC50:  191nMAssay Description:Agonist activity at human FXR2 expressed in HEK293 cells coexpressing human FGF19 incubated for 24 hrs by ELISA analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetRNA-binding protein FXR2(Human)
Biocon-Bristol Myers Squibb Research and Development Center

Curated by ChEMBL
LigandPNGBDBM50600733(CHEMBL5182534)
Affinity DataEC50: >4.00E+4nMAssay Description:Agonist activity at human FXR2 expressed in Huh-7 cells coexpressing BSEP relative to GW2064More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetBile acid receptor(Mouse)
Biocon-Bristol Myers Squibb Research and Development Center

Curated by ChEMBL
LigandPNGBDBM50600733(CHEMBL5182534)
Affinity DataEC50:  14nMAssay Description:Agonist activity at mouse LBD fused FXR in HEK293 cells incubated for 30 min by envision plate reader methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetBile acid receptor(Human)
Biocon-Bristol Myers Squibb Research and Development Center

Curated by ChEMBL
LigandPNGBDBM50600733(CHEMBL5182534)
Affinity DataEC50:  42nMAssay Description:Agonist activity at LBD fused human FXR in HEK293 cells incubated for 30 min by envision plate reader methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed