Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-dependent translocase ABCB1' and Ligand = 'BDBM50039140'   

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))	BDBM50039140 (CHEMBL3355362) Show SMILES COc1cccc(CCNCCCCc2cn(-c3ccc(F)cc3)c3ccccc23)c1 Show InChI InChI=1S/C27H29FN2O/c1-31-25-9-6-7-21(19-25)16-18-29-17-5-4-8-22-20-30(24-14-12-23(28)13-15-24)27-11-3-2-10-26(22)27/h2-3,6-7,9-15,19-20,29H,4-5,8,16-18H2,1H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Aldo Moro Curated by ChEMBL					Assay Description Activity at MDR1 (unknown origin) expressed in MDCK-MDR1 cells by Calcein-AM assay				Eur J Med Chem 89: 691-700 (2014) Article DOI: 10.1016/j.ejmech.2014.11.001 BindingDB Entry DOI: 10.7270/Q2CZ38SF
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