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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-dependent translocase ABCB1' and Ligand = 'BDBM50091062'   
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
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50091062
PNG
(CHEMBL3582164)
Show SMILES COc1ccc(\C=C\C(=O)O[C@H]2Cc3c(OC)cc(OC)cc3O[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 |r|
Show InChI InChI=1S/C30H32O9/c1-32-20-10-7-18(8-11-20)9-12-28(31)38-27-17-22-23(34-3)15-21(33-2)16-24(22)39-29(27)19-13-25(35-4)30(37-6)26(14-19)36-5/h7-16,27,29H,17H2,1-6H3/b12-9+/t27-,29+/m0/s1
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PC cid
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Similars
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



The Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Modulation of P-gp (unknown origin) transfected in human MDA435/LCC6MDR cells assessed as reversible of paclitaxel resistance measured as IC50 for pa...

J Med Chem 58: 4529-49 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00085
BindingDB Entry DOI: 10.7270/Q2N29ZP5
More data for this
Ligand-Target Pair