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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 = 'BDBM50505446'   
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))		BDBM50505446
PNG
(CHEMBL4283756)
Show SMILES O=c1cc(oc2cc(OCCOCc3cn(CCOCCOc4ccc(cc4)-c4oc5ccccc5c(=O)c4OCc4ccccc4)nn3)ccc12)-c1ccccc1
Show InChI InChI=1S/C46H39N3O9/c50-40-28-42(33-11-5-2-6-12-33)57-43-27-37(19-20-38(40)43)55-26-24-53-31-35-29-49(48-47-35)21-22-52-23-25-54-36-17-15-34(16-18-36)45-46(56-30-32-9-3-1-4-10-32)44(51)39-13-7-8-14-41(39)58-45/h1-20,27-29H,21-26,30-31H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 184n/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