Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-dependent translocase ABCB1' and Ligand = 'BDBM50390995'   

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))	BDBM50390995 (CHEMBL2074949) Show SMILES COc1ccc(CCCN2CCC(Cc3ccccc3)CC2)cc1OC Show InChI InChI=1S/C23H31NO2/c1-25-22-11-10-20(18-23(22)26-2)9-6-14-24-15-12-21(13-16-24)17-19-7-4-3-5-8-19/h3-5,7-8,10-11,18,21H,6,9,12-17H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 5 uM) in Caco-2 cells				Mol Pharmacol 61: 964-73 (2002) BindingDB Entry DOI: 10.7270/Q2W95B7Z
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