Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholesteryl ester transfer protein' and Ligand = 'BDBM50369612'   

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
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50369612 (CHEMBL118757) Show SMILES CC1(CCCCC1)C(=O)Nc1ccccc1SSc1ccccc1NC(=O)C1(C)CCCCC1 Show InChI InChI=1S/C28H36N2O2S2/c1-27(17-9-3-10-18-27)25(31)29-21-13-5-7-15-23(21)33-34-24-16-8-6-14-22(24)30-26(32)28(2)19-11-4-12-20-28/h5-8,13-16H,3-4,9-12,17-20H2,1-2H3,(H,29,31)(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description In vitro concentration required to inhibit 50% of cholesteryl ester transfer protein mediated cholesteryl ester transfer from HDL to VLDL and LDL in ...				J Med Chem 43: 3566-72 (2000) BindingDB Entry DOI: 10.7270/Q22J6CK6
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