BDBM50338982 (R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3,4-dimethoxyphenyl)-2-isopropylpentanenitrile::(S)-2-(3,4-Dimethoxy-phenyl)-5-{[2-(3,4-dimethoxy-phenyl)-ethyl]-methyl-amino}-2-isopropyl-pentanenitrile::(S)-2-(3,4-Dimethoxy-phenyl)-5-{[2-(3,4-dimethoxy-phenyl)-ethyl]-methyl-amino}-2-isopropyl-pentanenitrile; hydrochloride::(S)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3,4-dimethoxyphenyl)-2-isopropylpentanenitrile::(Verapamil) 2-(3,4-Dimethoxy-phenyl)-5-{[2-(3,4-dimethoxy-phenyl)-ethyl]-methyl-amino}-2-isopropyl-pentanenitrile::2-(3,4-Dimethoxy-phenyl)-5-{[2-(3,4-dimethoxy-phenyl)-ethyl]-isopropyl-amino}-2-methyl-pentanenitrile(Verapamil)::2-(3,4-dimethoxy-phenyl)-5-{[2-(3,4-dimethoxy-phenyl)-ethyl]-methyl-amino}-2-isopropyl-pentanenitrile::4-[3,4-dimethoxyphenethyl(methyl)amino]-1-(3,4-dimethoxyphenyl)-1-isopropylbutyl cyanide::5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3,4-dimethoxyphenyl)-2-isopropylpentanenitrile::5-{[2-(3,4-Dimethoxy-phenyl)-ethyl]-methyl-amino}-2-isopropyl-2-(3,4,5-trimethoxy-phenyl)-pentanenitrile::5-{[2-(3,4-Dimethoxy-phenyl)-ethyl]-methyl-amino}-2-isopropyl-2-(4-methoxy-phenyl)-pentanenitrile::CP-16533-1::Calan::Calan SR::Covera-HS::D-365::Iproveratril::Isoptin::Isoptin SR::Tarka::VERAPAMIL::Verapamil;2-(3,4-Dimethoxy-phenyl)-5-{[2-(3,4-dimethoxy-phenyl)-ethyl]-methyl-amino}-2-isopropyl-pentanenitrile::Verapramil::Verelan::verapamil-R

SMILES COc1ccc(CCN(C)CCC[C@@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC

InChI Key InChIKey=SGTNSNPWRIOYBX-HHHXNRCGSA-N

Data  4 KI  34 IC50  1 Kd  4 EC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50338982   

TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM50338982((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of human MRP2 expressed in dog MDCK2 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed