Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-dependent translocase ABCB1' and Ligand = 'BDBM50039139'   

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))	BDBM50039139 (CHEMBL3355363) Show SMILES COc1ccc(CCNCCCCc2cn(-c3ccc(F)cc3)c3ccccc23)cc1 Show InChI InChI=1S/C27H29FN2O/c1-31-25-15-9-21(10-16-25)17-19-29-18-5-4-6-22-20-30(24-13-11-23(28)12-14-24)27-8-3-2-7-26(22)27/h2-3,7-16,20,29H,4-6,17-19H2,1H3	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	2.85E+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
					More data for this Ligand-Target Pair