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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 = 'BDBM50465858'   
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))		BDBM50465858
PNG
(CHEMBL4277727)
Show SMILES Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCc2cn(CCOCCOc3ccc(cc3)-c3cc(=O)c4ccccc4o3)nn2)cc1
Show InChI InChI=1S/C41H37N3O7/c1-28-9-18-39-35(24-28)37(46)26-41(51-39)30-10-14-32(15-11-30)48-20-5-4-6-31-27-44(43-42-31)19-21-47-22-23-49-33-16-12-29(13-17-33)40-25-36(45)34-7-2-3-8-38(34)50-40/h2-3,7-18,24-27H,4-6,19-23H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 103n/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