BDBM81939 CAS_52-53-9::NSC_62969::VERAPAMIL

SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC

InChI Key InChIKey=SGTNSNPWRIOYBX-UHFFFAOYSA-N

Data  17 KI  131 IC50  20 EC50

PDB links: 4 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 81939   

TargetSolute carrier organic anion transporter family member 1B1(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM81939(CAS_52-53-9 | NSC_62969 | VERAPAMIL)
Affinity DataKi:  5.20E+4nMAssay Description:Inhibition of OATP1B1 (unknown origin) expressed in HEK293 cells assessed as protein-mediated pitavastatin uptakeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier organic anion transporter family member 1B1(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM81939(CAS_52-53-9 | NSC_62969 | VERAPAMIL)
Affinity DataIC50:  3.20E+4nMAssay Description:Inhibition of OATP1B1 (unknown origin) expressed in HEK293 cells using estradiol-17beta-glucuronide substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier organic anion transporter family member 1B1(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM81939(CAS_52-53-9 | NSC_62969 | VERAPAMIL)
Affinity DataIC50:  6.40E+4nMAssay Description:Inhibition of OATP1B1 (unknown origin) expressed in HEK293 cells using pitavastatin substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier organic anion transporter family member 1B1(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM81939(CAS_52-53-9 | NSC_62969 | VERAPAMIL)
Affinity DataIC50: >6.00E+5nMAssay Description:Inhibition of OATP1B1 (unknown origin) expressed in HEK293 cells using estrone-3-sulfate substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed