Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-dependent translocase ABCB1' and Ligand = 'BDBM50324377'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50324377 (4-(5-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphth...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)-c1cc(no1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C24H25NO3/c1-23(2)11-12-24(3,4)19-13-17(9-10-18(19)23)21-14-20(25-28-21)15-5-7-16(8-6-15)22(26)27/h5-10,13-14H,11-12H2,1-4H3,(H,26,27)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a
Universita degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of MDR1 expressed in MDCK cells assessed as calcein AM accumulation by fluorescence assay				J Med Chem 53: 5467-75 (2010) Article DOI: 10.1021/jm100066y BindingDB Entry DOI: 10.7270/Q2JH3MC8
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