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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 = 'BDBM50505494'   
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))		BDBM50505494
PNG
(CHEMBL4294398)
Show SMILES Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCOCCOCCn2cc(CCCCOc3ccc4c(c3)oc(cc4=O)-c3ccccc3)nn2)cc1
Show InChI InChI=1S/C43H41N3O8/c1-30-10-17-40-37(25-30)39(48)28-42(53-40)32-11-13-34(14-12-32)52-24-23-50-22-21-49-20-18-46-29-33(44-45-46)9-5-6-19-51-35-15-16-36-38(47)27-41(54-43(36)26-35)31-7-3-2-4-8-31/h2-4,7-8,10-17,25-29H,5-6,9,18-24H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 171n/an/an/an/a



Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Inhibition of MRP1 (unknown origin) expressed in human 2008/MRP1 assessed as reversal of doxorubicin resistance after 5 days by MTS/PMS assay

J Med Chem 62: 8578-8608 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00963
BindingDB Entry DOI: 10.7270/Q28S4T5Q
More data for this
Ligand-Target Pair