Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholesteryl ester transfer protein' and Ligand = 'BDBM124880'   

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))	BDBM124880 (US8759365, 33-2) Show SMILES CC[C@@H]1C[C@@H](CN1c1nc(ncc1Cl)N1CCC(CC1)C(O)=O)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(cn1)N1CCOCC1 |r| Show InChI InChI=1S/C33H37ClF6N8O3/c1-2-24-14-25(19-47(24)28-27(34)17-43-31(44-28)46-5-3-21(4-6-46)29(49)50)48(30-41-15-26(16-42-30)45-7-9-51-10-8-45)18-20-11-22(32(35,36)37)13-23(12-20)33(38,39)40/h11-13,15-17,21,24-25H,2-10,14,18-19H2,1H3,(H,49,50)/t24-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	7.4	37
Novartis AG US Patent					Assay Description CETP Activity Kit (#RB-RPAK) was purchased from Roar Biochemical, Inc. (New York, N.Y., USA). To each well of a 96-well NBS half-area plate (costar #...				US Patent US8759365 (2014) BindingDB Entry DOI: 10.7270/Q2NG4P95
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