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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 = 'BDBM50169024'   
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))		BDBM50169024
PNG
(Acetic acid (1S,2R,4S,5R,6S,7S,9R,12R)-12-acetoxy-...)
Show SMILES C[C@@H]1C[C@H](OC(C)=O)[C@H](OC(=O)c2ccccc2)[C@@]2(COC(C)=O)[C@H](OC(=O)c3ccccc3)C(=O)[C@@H]3[C@@H](OC(C)=O)[C@]12OC3(C)C |THB:38:37:18.24.34:43.44|
Show InChI InChI=1S/C35H38O12/c1-19-17-25(43-21(3)37)28(45-31(40)23-13-9-7-10-14-23)34(18-42-20(2)36)30(46-32(41)24-15-11-8-12-16-24)27(39)26-29(44-22(4)38)35(19,34)47-33(26,5)6/h7-16,19,25-26,28-30H,17-18H2,1-6H3/t19-,25+,26-,28+,29-,30-,34+,35-/m1/s1
PDB

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PC cid
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Similars
Article
PubMed
 1.63E+3n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-OrgAnica Antonio GonzAlez

Curated by ChEMBL


Assay Description
Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assay

J Med Chem 50: 4808-17 (2007)


Article DOI: 10.1021/jm070290v
BindingDB Entry DOI: 10.7270/Q2K35TCP
More data for this
Ligand-Target Pair