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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 = 'BDBM50465863'   
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))		BDBM50465863
PNG
(CHEMBL4290127)
Show SMILES O=c1cc(oc2ccccc12)-c1ccc(OCCOCCn2cc(CCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1
Show InChI InChI=1S/C39H33N3O7/c43-34-24-38(48-36-11-5-4-10-32(34)36)28-12-14-30(15-13-28)47-22-21-45-20-18-42-26-29(40-41-42)9-6-19-46-31-16-17-33-35(44)25-37(49-39(33)23-31)27-7-2-1-3-8-27/h1-5,7-8,10-17,23-26H,6,9,18-22H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 151n/an/an/an/a



Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human 2008/MRP1 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring reduction in cell survival afte...

J Med Chem 61: 9931-9951 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00834
BindingDB Entry DOI: 10.7270/Q2RX9FRD
More data for this
Ligand-Target Pair