Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sterol O-acyltransferase 1' and Ligand = 'BDBM50051904'   

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
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50051904 (4-{4-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[...) Show SMILES CC1(CCCCN2CCSCC2)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1 |(14.14,-13.94,;12.81,-13.17,;13.21,-11.69,;12.13,-10.59,;12.54,-9.11,;11.46,-8.01,;11.88,-6.52,;10.79,-5.44,;11.21,-3.94,;12.7,-3.55,;13.77,-4.67,;13.35,-6.14,;11.53,-13.59,;9.9,-12.97,;9.15,-14.33,;10.32,-13.91,;12.05,-14.51,;7.8,-13.54,;7.4,-12.05,;5.86,-11.98,;5.3,-13.42,;6.51,-14.4,;3.81,-13.82,;3.43,-15.31,;1.94,-15.71,;.85,-14.64,;1.24,-13.14,;2.73,-12.74,;5,-10.69,;5.7,-9.32,;4.86,-8.03,;3.32,-8.1,;2.64,-9.5,;3.48,-10.78,)| Show InChI InChI=1S/C28H35N3O2S/c1-28(14-8-9-15-31-16-18-34-19-17-31)20-32-27(33-21-28)26-29-24(22-10-4-2-5-11-22)25(30-26)23-12-6-3-7-13-23/h2-7,10-13,27H,8-9,14-21H2,1H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% of the Acyl coenzyme A:cholesterol acyltransferase 1 ...				J Med Chem 39: 1423-32 (1996) Article DOI: 10.1021/jm9505876 BindingDB Entry DOI: 10.7270/Q2TB160C
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