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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 = 'BDBM50091236'   
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))		BDBM50091236
PNG
(CHEMBL3582178)
Show SMILES COc1cc(OC)c2C(=O)[C@H](OC(=O)\C=C\c3ccc(OC)c(OC)c3)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1 |r|
Show InChI InChI=1S/C31H32O11/c1-34-19-15-22(37-4)27-23(16-19)41-29(18-13-24(38-5)30(40-7)25(14-18)39-6)31(28(27)33)42-26(32)11-9-17-8-10-20(35-2)21(12-17)36-3/h8-16,29,31H,1-7H3/b11-9+/t29-,31+/m1/s1
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Similars
Article
PubMed
n/an/a 26n/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