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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 = 'BDBM50221871'   
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))		BDBM50221871
PNG
(CHEMBL437009 | benzoic acid (1S,2R,5S,6S,7S,8R,9R,...)
Show SMILES CCCCCO[C@@H]1[C@@H]2[C@@H](OC(C)=O)[C@]3(OC2(C)C)[C@](C)(O)CC[C@H](OC(C)=O)[C@@]3(COC(C)=O)[C@@H]1OC(=O)c1ccccc1
Show InChI InChI=1S/C33H46O11/c1-8-9-13-18-39-26-25-27(42-22(4)36)33(44-30(25,5)6)31(7,38)17-16-24(41-21(3)35)32(33,19-40-20(2)34)28(26)43-29(37)23-14-11-10-12-15-23/h10-12,14-15,24-28,38H,8-9,13,16-19H2,1-7H3/t24-,25+,26+,27+,28+,31+,32-,33-/m0/s1
PDB

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PC cid
PC sid
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Similars
Article
PubMed
 1.83E+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