Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholesteryl ester transfer protein' and Ligand = 'BDBM50250357'   

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))	BDBM50250357 (CHEMBL4089133) Show SMILES CC[C@@H]1C[C@@H](C[C@H](Cc2ccccc2)N1C(=O)OC(C)(C)C)N(Cc1cc(Cl)cc(c1)C(F)(F)F)c1ncc(Br)cn1 |r| Show InChI InChI=1S/C31H35BrClF3N4O2/c1-5-25-15-26(16-27(13-20-9-7-6-8-10-20)40(25)29(41)42-30(2,3)4)39(28-37-17-23(32)18-38-28)19-21-11-22(31(34,35)36)14-24(33)12-21/h6-12,14,17-18,25-27H,5,13,15-16,19H2,1-4H3/t25-,26+,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research, Inc. Curated by ChEMBL					Assay Description Inhibition of CETP in human plasma measured every 30 mins for 120 mins by fluorescence method				J Med Chem 60: 8466-8481 (2017) Article DOI: 10.1021/acs.jmedchem.7b00900 BindingDB Entry DOI: 10.7270/Q27083WQ
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