Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cholesteryl ester transfer protein' and Ligand = 'BDBM50250364'   

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))	BDBM50250364 (CHEMBL4063323) Show SMILES CC[C@@H]1C[C@@H](C[C@H](Cc2ccccc2)N1C(=O)OC(C)(C)C)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(cn1)N1CCOCC1 |r| Show InChI InChI=1S/C36H43F6N5O3/c1-5-28-19-29(20-30(17-24-9-7-6-8-10-24)47(28)33(48)50-34(2,3)4)46(32-43-21-31(22-44-32)45-11-13-49-14-12-45)23-25-15-26(35(37,38)39)18-27(16-25)36(40,41)42/h6-10,15-16,18,21-22,28-30H,5,11-14,17,19-20,23H2,1-4H3/t28-,29+,30+/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	164	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
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50250364 (CHEMBL4063323) Show SMILES CC[C@@H]1C[C@@H](C[C@H](Cc2ccccc2)N1C(=O)OC(C)(C)C)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(cn1)N1CCOCC1 |r| Show InChI InChI=1S/C36H43F6N5O3/c1-5-28-19-29(20-30(17-24-9-7-6-8-10-24)47(28)33(48)50-34(2,3)4)46(32-43-21-31(22-44-32)45-11-13-49-14-12-45)23-25-15-26(35(37,38)39)18-27(16-25)36(40,41)42/h6-10,15-16,18,21-22,28-30H,5,11-14,17,19-20,23H2,1-4H3/t28-,29+,30+/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	164	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
					More data for this Ligand-Target Pair