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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 = 'BDBM50091269'   
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))		BDBM50091269
PNG
(CHEMBL3582146)
Show SMILES COc1cc(OC)c2C[C@@H](OC(=O)Cc3cc(OC)c(OC)c(OC)c3)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1 |r|
Show InChI InChI=1S/C31H36O11/c1-33-19-14-21(34-2)20-16-27(41-28(32)11-17-9-23(35-3)30(39-7)24(10-17)36-4)29(42-22(20)15-19)18-12-25(37-5)31(40-8)26(13-18)38-6/h9-10,12-15,27,29H,11,16H2,1-8H3/t27-,29-/m1/s1
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PC cid
PC sid
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Similars
Article
PubMed
n/an/a 25n/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