Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-dependent translocase ABCB1' and Ligand = 'BDBM50039144'   

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))	BDBM50039144 (CHEMBL3355378) Show SMILES CCN(CCCCc1cn(-c2ccc(F)cc2)c2ccccc12)[C@H]1CCc2c1ccc(OC)c2OC |r| Show InChI InChI=1S/C31H35FN2O2/c1-4-33(28-18-16-27-26(28)17-19-30(35-2)31(27)36-3)20-8-7-9-22-21-34(24-14-12-23(32)13-15-24)29-11-6-5-10-25(22)29/h5-6,10-15,17,19,21,28H,4,7-9,16,18,20H2,1-3H3/t28-/m0/s1	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	700	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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