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BDBM50117928 2-(3,4-Dimethoxy-phenyl)-5-{[2-(3,4-dimethoxy-phenyl)-ethyl]-isopropyl-amino}-2-methyl-pentanenitrile(Verapamil)

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

InChI Key: InChIKey=VYLABSMQLHGDJB-HHHXNRCGSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50117928   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))		BDBM50117928
PNG
(2-(3,4-Dimethoxy-phenyl)-5-{[2-(3,4-dimethoxy-phen...)
Show SMILES COc1ccc(CCN(CCC[C@](C)(C#N)c2ccc(OC)c(OC)c2)C(C)C)cc1OC
Show InChI InChI=1S/C27H38N2O4/c1-20(2)29(16-13-21-9-11-23(30-4)25(17-21)32-6)15-8-14-27(3,19-28)22-10-12-24(31-5)26(18-22)33-7/h9-12,17-18,20H,8,13-16H2,1-7H3/t27-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 35n/an/an/an/an/a



Institut de Biologie et Chimie des Protéines

Curated by ChEMBL


Assay Description
Binding activity to human MRP1 expressed in BHK21 cells

J Biol Chem 282: 31542-8 (2007)


Article DOI: 10.1074/jbc.M703964200
BindingDB Entry DOI: 10.7270/Q29G5MK6
More data for this
Ligand-Target Pair