Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50028313   

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))	BDBM50128164 (3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(4-chlo...) Show SMILES CCc1cc(Oc2cccc(c2)N(CC(O)C(F)(F)F)Cc2cccc(OC(F)(F)C(F)F)c2)ccc1Cl Show InChI InChI=1S/C26H23ClF7NO3/c1-2-17-12-20(9-10-22(17)27)37-19-7-4-6-18(13-19)35(15-23(36)25(30,31)32)14-16-5-3-8-21(11-16)38-26(33,34)24(28)29/h3-13,23-24,36H,2,14-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of CETP (unknown origin)-mediated transfer of [3H]cholesteryl ester from HDL donar particles to LDL acceptor particles in presence of buff...				J Med Chem 52: 1768-72 (2009) Article DOI: 10.1021/jm801319d BindingDB Entry DOI: 10.7270/Q2QZ29VG
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50128164 (3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(4-chlo...) Show SMILES CCc1cc(Oc2cccc(c2)N(CC(O)C(F)(F)F)Cc2cccc(OC(F)(F)C(F)F)c2)ccc1Cl Show InChI InChI=1S/C26H23ClF7NO3/c1-2-17-12-20(9-10-22(17)27)37-19-7-4-6-18(13-19)35(15-23(36)25(30,31)32)14-16-5-3-8-21(11-16)38-26(33,34)24(28)29/h3-13,23-24,36H,2,14-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of CETP (unknown origin)-mediated transfer of [3H]cholesteryl ester from HDL donar particles to LDL acceptor particles				J Med Chem 52: 1768-72 (2009) Article DOI: 10.1021/jm801319d BindingDB Entry DOI: 10.7270/Q2QZ29VG
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50276348 ((2R, aS)-3,4-dihydro-2-[3-(1,1,2,2-tetrafluoroetho...) Show SMILES O[C@@H](CN1[C@H](CCc2c1cccc2-c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F |r| Show InChI InChI=1S/C27H21F10NO3/c28-24(29)26(33,34)40-17-6-2-5-16(13-17)21-11-10-20-19(15-4-1-7-18(12-15)41-27(35,36)37)8-3-9-22(20)38(21)14-23(39)25(30,31)32/h1-9,12-13,21,23-24,39H,10-11,14H2/t21-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human plasma-derived CETP activity by scintillation proximity assay				J Med Chem 52: 1768-72 (2009) Article DOI: 10.1021/jm801319d BindingDB Entry DOI: 10.7270/Q2QZ29VG
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50276347 ((+/-)-1,1,1-trifluoro-3-(2-(3-(1,1,2,2-tetrafluoro...) Show SMILES OC(CN1C(CCc2c1cccc2-c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F Show InChI InChI=1S/C27H21F10NO3/c28-24(29)26(33,34)40-17-6-2-5-16(13-17)21-11-10-20-19(15-4-1-7-18(12-15)41-27(35,36)37)8-3-9-22(20)38(21)14-23(39)25(30,31)32/h1-9,12-13,21,23-24,39H,10-11,14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of CETP (unknown origin)-mediated transfer of [3H]cholesteryl ester from HDL donar particles to LDL acceptor particles				J Med Chem 52: 1768-72 (2009) Article DOI: 10.1021/jm801319d BindingDB Entry DOI: 10.7270/Q2QZ29VG
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50128164 (3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(4-chlo...) Show SMILES CCc1cc(Oc2cccc(c2)N(CC(O)C(F)(F)F)Cc2cccc(OC(F)(F)C(F)F)c2)ccc1Cl Show InChI InChI=1S/C26H23ClF7NO3/c1-2-17-12-20(9-10-22(17)27)37-19-7-4-6-18(13-19)35(15-23(36)25(30,31)32)14-16-5-3-8-21(11-16)38-26(33,34)24(28)29/h3-13,23-24,36H,2,14-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of CETP (unknown origin)-mediated transfer of [3H]cholesteryl ester from HDL donar particles to LDL acceptor particles in presence of huma...				J Med Chem 52: 1768-72 (2009) Article DOI: 10.1021/jm801319d BindingDB Entry DOI: 10.7270/Q2QZ29VG
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50276348 ((2R, aS)-3,4-dihydro-2-[3-(1,1,2,2-tetrafluoroetho...) Show SMILES O[C@@H](CN1[C@H](CCc2c1cccc2-c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F |r| Show InChI InChI=1S/C27H21F10NO3/c28-24(29)26(33,34)40-17-6-2-5-16(13-17)21-11-10-20-19(15-4-1-7-18(12-15)41-27(35,36)37)8-3-9-22(20)38(21)14-23(39)25(30,31)32/h1-9,12-13,21,23-24,39H,10-11,14H2/t21-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of CETP-mediated transfer of [3H]cholesteryl ester from HDL in human plasma after 18 hrs				J Med Chem 52: 1768-72 (2009) Article DOI: 10.1021/jm801319d BindingDB Entry DOI: 10.7270/Q2QZ29VG
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50276280 (3-(5-(4-chloro-3-ethylphenoxy)-2 -(3-(1,1,2,2-tetr...) Show SMILES CCc1cc(Oc2cccc3N(CC(O)C(F)(F)F)C(CCc23)c2cccc(OC(F)(F)C(F)F)c2)ccc1Cl Show InChI InChI=1S/C28H25ClF7NO3/c1-2-16-13-18(9-11-21(16)29)39-24-8-4-7-23-20(24)10-12-22(37(23)15-25(38)27(32,33)34)17-5-3-6-19(14-17)40-28(35,36)26(30)31/h3-9,11,13-14,22,25-26,38H,2,10,12,15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of CETP (unknown origin)-mediated transfer of [3H]cholesteryl ester from HDL donar particles to LDL acceptor particles				J Med Chem 52: 1768-72 (2009) Article DOI: 10.1021/jm801319d BindingDB Entry DOI: 10.7270/Q2QZ29VG
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50276348 ((2R, aS)-3,4-dihydro-2-[3-(1,1,2,2-tetrafluoroetho...) Show SMILES O[C@@H](CN1[C@H](CCc2c1cccc2-c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F |r| Show InChI InChI=1S/C27H21F10NO3/c28-24(29)26(33,34)40-17-6-2-5-16(13-17)21-11-10-20-19(15-4-1-7-18(12-15)41-27(35,36)37)8-3-9-22(20)38(21)14-23(39)25(30,31)32/h1-9,12-13,21,23-24,39H,10-11,14H2/t21-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of CETP-mediated transfer of cholesteryl ester to LDL/VLDL in human plasma by Roar assay				J Med Chem 52: 1768-72 (2009) Article DOI: 10.1021/jm801319d BindingDB Entry DOI: 10.7270/Q2QZ29VG
					More data for this Ligand-Target Pair