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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Multidrug resistance-associated protein 1' and Ligand = 'BDBM50140808'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50140808
PNG
(4-{4-[2-(3-Chloro-phenyl)-ethyl]-piperazin-1-yl}-6...)
Show SMILES Clc1cccc(CCN2CCN(CC2)c2ncnc3c(C#N)c4CCCCn4c23)c1
Show InChI InChI=1S/C23H25ClN6/c24-18-5-3-4-17(14-18)7-9-28-10-12-29(13-11-28)23-22-21(26-16-27-23)19(15-25)20-6-1-2-8-30(20)22/h3-5,14,16H,1-2,6-13H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 920n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against human transporter MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line

J Med Chem 47: 1329-38 (2004)


Article DOI: 10.1021/jm031011g
BindingDB Entry DOI: 10.7270/Q25Q4VH0
More data for this
Ligand-Target Pair