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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 = 'BDBM50465868'   
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))		BDBM50465868
PNG
(CHEMBL4279851)
Show SMILES Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCc2cn(CCOCCOCCOc3ccc(cc3)-c3cc(=O)c4cc(C)ccc4o3)nn2)cc1
Show InChI InChI=1S/C44H43N3O8/c1-30-6-16-41-37(25-30)39(48)27-43(54-41)32-8-12-35(13-9-32)52-19-4-3-5-34-29-47(46-45-34)18-20-50-21-22-51-23-24-53-36-14-10-33(11-15-36)44-28-40(49)38-26-31(2)7-17-42(38)55-44/h6-17,25-29H,3-5,18-24H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 137n/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