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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 = 'BDBM50091243'   
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))		BDBM50091243
PNG
(CHEMBL3582177)
Show SMILES COc1ccc(\C=C\C(=O)O[C@@H]2[C@H](Oc3cc(OC)cc(OC)c3C2=O)c2cc(OC)c(OC)c(OC)c2)cc1 |r|
Show InChI InChI=1S/C30H30O10/c1-33-19-10-7-17(8-11-19)9-12-25(31)40-30-27(32)26-21(35-3)15-20(34-2)16-22(26)39-28(30)18-13-23(36-4)29(38-6)24(14-18)37-5/h7-16,28,30H,1-6H3/b12-9+/t28-,30+/m1/s1
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PC cid
PC sid
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Similars
Article
PubMed
n/an/a 41n/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