Compile Data Set for Download or QSAR

Found 356 hits with Last Name = 'dropinski' and Initial = 'jf'   

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
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50173356 (1-(4-tert-Butyl-phenyl)-5-(4-chloro-1H-pyrrol-2-yl...) Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)C(F)(F)F)c2cc(Oc3cc(Cl)c[nH]3)ccc12 Show InChI InChI=1S/C30H24ClF3N2O4/c1-29(2,3)17-7-9-20(10-8-17)36-24-12-11-22(39-25-14-19(31)16-35-25)15-23(24)27(26(36)28(37)38)40-21-6-4-5-18(13-21)30(32,33)34/h4-16,35H,1-3H3,(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay				Bioorg Med Chem Lett 15: 5035-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.002 BindingDB Entry DOI: 10.7270/Q27H1J56
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM234607 (US9353101, 3) Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1)-c1sc(C)nc1C |r| Show InChI InChI=1S/C31H27F7N6O3S/c1-14-26(48-16(3)41-14)18-7-22(27(46-4)39-9-18)23-10-40-28(43-11-21(32)12-43)42-24(23)13-44-15(2)25(47-29(44)45)17-5-19(30(33,34)35)8-20(6-17)31(36,37)38/h5-10,15,21,25H,11-13H2,1-4H3/t15-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...				US Patent US9353101 (2016) BindingDB Entry DOI: 10.7270/Q2765D7V
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM234611 (US9353101, 7) Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1)-c1c(C)noc1C |r| Show InChI InChI=1S/C31H27F7N6O4/c1-14-25(16(3)48-42-14)18-7-22(27(46-4)39-9-18)23-10-40-28(43-11-21(32)12-43)41-24(23)13-44-15(2)26(47-29(44)45)17-5-19(30(33,34)35)8-20(6-17)31(36,37)38/h5-10,15,21,26H,11-13H2,1-4H3/t15-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...				US Patent US9353101 (2016) BindingDB Entry DOI: 10.7270/Q2765D7V
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM234610 (US9353101, 6) Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1)-c1c(C)nn(C)c1C |r| Show InChI InChI=1S/C32H30F7N7O3/c1-15-26(16(2)44(4)43-15)19-8-23(28(48-5)40-10-19)24-11-41-29(45-12-22(33)13-45)42-25(24)14-46-17(3)27(49-30(46)47)18-6-20(31(34,35)36)9-21(7-18)32(37,38)39/h6-11,17,22,27H,12-14H2,1-5H3/t17-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...				US Patent US9353101 (2016) BindingDB Entry DOI: 10.7270/Q2765D7V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50173344 (1-(4-tert-Butyl-phenyl)-3-(3-trifluoromethyl-pheno...) Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)C(F)(F)F)c2cc(Oc3cc(c[nH]3)C(F)(F)F)ccc12 Show InChI InChI=1S/C31H24F6N2O4/c1-29(2,3)17-7-9-20(10-8-17)39-24-12-11-22(42-25-14-19(16-38-25)31(35,36)37)15-23(24)27(26(39)28(40)41)43-21-6-4-5-18(13-21)30(32,33)34/h4-16,38H,1-3H3,(H,40,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay				Bioorg Med Chem Lett 15: 5035-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.002 BindingDB Entry DOI: 10.7270/Q27H1J56
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM234621 (US9353101, 17) Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1)-c1c(C)n[nH]c1C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...				US Patent US9353101 (2016) BindingDB Entry DOI: 10.7270/Q2765D7V
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM234664 (US9353101, 60) Show SMILES COc1ncc(cc1-c1ccc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)(F)C1)-c1ccc(cc1C)C(O)=O |r| Show InChI InChI=1S/C35H28F8N4O5/c1-17-8-19(31(48)49)4-5-24(17)21-11-26(30(51-3)44-13-21)25-6-7-28(46-15-33(36,37)16-46)45-27(25)14-47-18(2)29(52-32(47)50)20-9-22(34(38,39)40)12-23(10-20)35(41,42)43/h4-13,18,29H,14-16H2,1-3H3,(H,48,49)/t18-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...				US Patent US9353101 (2016) BindingDB Entry DOI: 10.7270/Q2765D7V
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM234635 (US9353101, 31) Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCC1)C(C)C |r| Show InChI InChI=1S/C29H29F6N5O3/c1-15(2)18-10-21(25(42-4)36-12-18)22-13-37-26(39-6-5-7-39)38-23(22)14-40-16(3)24(43-27(40)41)17-8-19(28(30,31)32)11-20(9-17)29(33,34)35/h8-13,15-16,24H,5-7,14H2,1-4H3/t16-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...				US Patent US9353101 (2016) BindingDB Entry DOI: 10.7270/Q2765D7V
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM234661 (US9353101, 57) Show SMILES COc1ncc(cc1-c1ccc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)(F)C1)-c1c(C)cc(cc1C)C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C40H38F8N4O5/c1-20-10-24(35(53)57-37(4,5)6)11-21(2)32(20)25-14-29(34(55-7)49-16-25)28-8-9-31(51-18-38(41,42)19-51)50-30(28)17-52-22(3)33(56-36(52)54)23-12-26(39(43,44)45)15-27(13-23)40(46,47)48/h8-16,22,33H,17-19H2,1-7H3/t22-,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...				US Patent US9353101 (2016) BindingDB Entry DOI: 10.7270/Q2765D7V
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM234632 (US9353101, 28) Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)(F)C1)C(C)C |r| Show InChI InChI=1S/C29H27F8N5O3/c1-14(2)17-7-20(24(44-4)38-9-17)21-10-39-25(41-12-27(30,31)13-41)40-22(21)11-42-15(3)23(45-26(42)43)16-5-18(28(32,33)34)8-19(6-16)29(35,36)37/h5-10,14-15,23H,11-13H2,1-4H3/t15-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...				US Patent US9353101 (2016) BindingDB Entry DOI: 10.7270/Q2765D7V
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM234666 (US9353101, 62) Show SMILES COc1ncc(cc1-c1ccc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1)-c1ccc(cc1C)C(O)=O |r| Show InChI InChI=1S/C35H29F7N4O5/c1-17-8-19(32(47)48)4-5-25(17)21-11-27(31(50-3)43-13-21)26-6-7-29(45-14-24(36)15-45)44-28(26)16-46-18(2)30(51-33(46)49)20-9-22(34(37,38)39)12-23(10-20)35(40,41)42/h4-13,18,24,30H,14-16H2,1-3H3,(H,47,48)/t18-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...				US Patent US9353101 (2016) BindingDB Entry DOI: 10.7270/Q2765D7V
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM234662 (US9353101, 58) Show SMILES COc1ncc(cc1-c1ccc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)(F)C1)-c1c(C)cc(cc1C)C(O)=O |r| Show InChI InChI=1S/C36H30F8N4O5/c1-17-7-21(32(49)50)8-18(2)29(17)22-11-26(31(52-4)45-13-22)25-5-6-28(47-15-34(37,38)16-47)46-27(25)14-48-19(3)30(53-33(48)51)20-9-23(35(39,40)41)12-24(10-20)36(42,43)44/h5-13,19,30H,14-16H2,1-4H3,(H,49,50)/t19-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...				US Patent US9353101 (2016) BindingDB Entry DOI: 10.7270/Q2765D7V
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM234636 (US9353101, 32) Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1)-c1c(C)cc(cc1C)C(O)=O |r| Show InChI InChI=1S/C35H30F7N5O5/c1-16-5-20(31(48)49)6-17(2)28(16)21-9-25(30(51-4)43-11-21)26-12-44-32(46-13-24(36)14-46)45-27(26)15-47-18(3)29(52-33(47)50)19-7-22(34(37,38)39)10-23(8-19)35(40,41)42/h5-12,18,24,29H,13-15H2,1-4H3,(H,48,49)/t18-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...				US Patent US9353101 (2016) BindingDB Entry DOI: 10.7270/Q2765D7V
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM234637 (US9353101, 33) Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1)-c1c(C)cc(cc1C)-c1n[nH]c(=O)o1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...				US Patent US9353101 (2016) BindingDB Entry DOI: 10.7270/Q2765D7V
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM234623 (US9353101, 19) Show SMILES CCn1nc(C)c(c1C)-c1cnc(OC)c(c1)-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1 |r| Show InChI InChI=1S/C33H32F7N7O3/c1-6-47-17(3)27(16(2)44-47)20-9-24(29(49-5)41-11-20)25-12-42-30(45-13-23(34)14-45)43-26(25)15-46-18(4)28(50-31(46)48)19-7-21(32(35,36)37)10-22(8-19)33(38,39)40/h7-12,18,23,28H,6,13-15H2,1-5H3/t18-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...				US Patent US9353101 (2016) BindingDB Entry DOI: 10.7270/Q2765D7V
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM234660 (US9353101, 56) Show SMILES COc1ncc(cc1-c1ccc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCOCC1)-c1ccc(cc1C)C(O)=O |r| Show InChI InChI=1S/C36H32F6N4O6/c1-19-12-21(33(47)48)4-5-26(19)23-15-28(32(50-3)43-17-23)27-6-7-30(45-8-10-51-11-9-45)44-29(27)18-46-20(2)31(52-34(46)49)22-13-24(35(37,38)39)16-25(14-22)36(40,41)42/h4-7,12-17,20,31H,8-11,18H2,1-3H3,(H,47,48)/t20-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...				US Patent US9353101 (2016) BindingDB Entry DOI: 10.7270/Q2765D7V
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM234651 (US9353101, 47) Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(F)cc(c1)C(F)(F)F)N1CC(F)(F)C1)-c1ccc(cc1C)C(O)=O |r| Show InChI InChI=1S/C33H27F6N5O5/c1-16-6-18(29(45)46)4-5-23(16)20-9-24(28(48-3)40-11-20)25-12-41-30(43-14-32(35,36)15-43)42-26(25)13-44-17(2)27(49-31(44)47)19-7-21(33(37,38)39)10-22(34)8-19/h4-12,17,27H,13-15H2,1-3H3,(H,45,46)/t17-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...				US Patent US9353101 (2016) BindingDB Entry DOI: 10.7270/Q2765D7V
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM234646 (US9353101, 42) Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)(F)C1)-c1ccc(cc1C)C(O)=O |r| Show InChI InChI=1S/C34H27F8N5O5/c1-16-6-18(29(48)49)4-5-23(16)20-9-24(28(51-3)43-11-20)25-12-44-30(46-14-32(35,36)15-46)45-26(25)13-47-17(2)27(52-31(47)50)19-7-21(33(37,38)39)10-22(8-19)34(40,41)42/h4-12,17,27H,13-15H2,1-3H3,(H,48,49)/t17-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...				US Patent US9353101 (2016) BindingDB Entry DOI: 10.7270/Q2765D7V
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM234638 (US9353101, 34) Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCOCC1)-c1c(C)cc(cc1C)C(O)=O |r| Show InChI InChI=1S/C36H33F6N5O6/c1-18-9-22(32(48)49)10-19(2)29(18)23-13-26(31(51-4)43-15-23)27-16-44-33(46-5-7-52-8-6-46)45-28(27)17-47-20(3)30(53-34(47)50)21-11-24(35(37,38)39)14-25(12-21)36(40,41)42/h9-16,20,30H,5-8,17H2,1-4H3,(H,48,49)/t20-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...				US Patent US9353101 (2016) BindingDB Entry DOI: 10.7270/Q2765D7V
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM234641 (US9353101, 37) Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1)-c1ccc(cc1C)C(=O)Nc1nnn[nH]1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...				US Patent US9353101 (2016) BindingDB Entry DOI: 10.7270/Q2765D7V
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM234639 (US9353101, 35) Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCOCC1)-c1c(C)cc(cc1C)-c1n[nH]c(=O)o1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...				US Patent US9353101 (2016) BindingDB Entry DOI: 10.7270/Q2765D7V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50173351 (1-(4-tert-Butyl-phenyl)-5-(1H-pyrrol-2-yloxy)-3-(3...) Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)C(F)(F)F)c2cc(Oc3ccc[nH]3)ccc12 Show InChI InChI=1S/C30H25F3N2O4/c1-29(2,3)18-9-11-20(12-10-18)35-24-14-13-22(38-25-8-5-15-34-25)17-23(24)27(26(35)28(36)37)39-21-7-4-6-19(16-21)30(31,32)33/h4-17,34H,1-3H3,(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay				Bioorg Med Chem Lett 15: 5035-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.002 BindingDB Entry DOI: 10.7270/Q27H1J56
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM234645 (US9353101, 41) Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCOCC1)-c1ccc(cc1C)C(=O)Nc1nnn[nH]1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...				US Patent US9353101 (2016) BindingDB Entry DOI: 10.7270/Q2765D7V
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM234606 (US9353101, 2) Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1)C(C)C |r| Show InChI InChI=1S/C29H28F7N5O3/c1-14(2)17-7-21(25(43-4)37-9-17)22-10-38-26(40-11-20(30)12-40)39-23(22)13-41-15(3)24(44-27(41)42)16-5-18(28(31,32)33)8-19(6-16)29(34,35)36/h5-10,14-15,20,24H,11-13H2,1-4H3/t15-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description First, low density lipoprotein (LDL) (Meridian) was biotinylated by incubating LDL with biotin for 1 hour on ice, after which it was dialyzed to remo...				US Patent US9353101 (2016) BindingDB Entry DOI: 10.7270/Q2765D7V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50173359 (1-(4-tert-Butyl-phenyl)-3-(3-trifluoromethyl-pheno...) Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C26H22F3NO3/c1-25(2,3)16-11-13-18(14-12-16)30-21-10-5-4-9-20(21)23(22(30)24(31)32)33-19-8-6-7-17(15-19)26(27,28)29/h4-15H,1-3H3,(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay				Bioorg Med Chem Lett 15: 5035-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.002 BindingDB Entry DOI: 10.7270/Q27H1J56
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM234614 (US9353101, 10) Show SMILES CCOc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1)C(F)(F)F |r| Show InChI InChI=1S/C28H23F10N5O3/c1-3-45-23-19(7-17(8-39-23)28(36,37)38)20-9-40-24(42-10-18(29)11-42)41-21(20)12-43-13(2)22(46-25(43)44)14-4-15(26(30,31)32)6-16(5-14)27(33,34)35/h4-9,13,18,22H,3,10-12H2,1-2H3/t13-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...				US Patent US9353101 (2016) BindingDB Entry DOI: 10.7270/Q2765D7V
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM234650 (US9353101, 46) Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(F)cc(c1)C(F)(F)F)N1CC(F)C1)-c1ccc(cc1C)C(O)=O |r| Show InChI InChI=1S/C33H28F5N5O5/c1-16-6-18(30(44)45)4-5-24(16)20-9-25(29(47-3)39-11-20)26-12-40-31(42-13-23(35)14-42)41-27(26)15-43-17(2)28(48-32(43)46)19-7-21(33(36,37)38)10-22(34)8-19/h4-12,17,23,28H,13-15H2,1-3H3,(H,44,45)/t17-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...				US Patent US9353101 (2016) BindingDB Entry DOI: 10.7270/Q2765D7V
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM234640 (US9353101, 36) Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1)-c1ccc(cc1C)C(O)=O |r| Show InChI InChI=1S/C34H28F7N5O5/c1-16-6-18(30(47)48)4-5-24(16)20-9-25(29(50-3)42-11-20)26-12-43-31(45-13-23(35)14-45)44-27(26)15-46-17(2)28(51-32(46)49)19-7-21(33(36,37)38)10-22(8-19)34(39,40)41/h4-12,17,23,28H,13-15H2,1-3H3,(H,47,48)/t17-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...				US Patent US9353101 (2016) BindingDB Entry DOI: 10.7270/Q2765D7V
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM234642 (US9353101, 38) Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1)-c1ccc(cc1C)-c1n[nH]c(=O)o1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...				US Patent US9353101 (2016) BindingDB Entry DOI: 10.7270/Q2765D7V
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM234622 (US9353101, 18) Show SMILES CCCn1nc(C)c(c1C)-c1cnc(OC)c(c1)-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1 |r| Show InChI InChI=1S/C34H34F7N7O3/c1-6-7-48-18(3)28(17(2)45-48)21-10-25(30(50-5)42-12-21)26-13-43-31(46-14-24(35)15-46)44-27(26)16-47-19(4)29(51-32(47)49)20-8-22(33(36,37)38)11-23(9-20)34(39,40)41/h8-13,19,24,29H,6-7,14-16H2,1-5H3/t19-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...				US Patent US9353101 (2016) BindingDB Entry DOI: 10.7270/Q2765D7V
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM234643 (US9353101, 39) Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCOCC1)-c1ccc(cc1C)C(O)=O |r| Show InChI InChI=1S/C35H31F6N5O6/c1-18-10-20(31(47)48)4-5-25(18)22-13-26(30(50-3)42-15-22)27-16-43-32(45-6-8-51-9-7-45)44-28(27)17-46-19(2)29(52-33(46)49)21-11-23(34(36,37)38)14-24(12-21)35(39,40)41/h4-5,10-16,19,29H,6-9,17H2,1-3H3,(H,47,48)/t19-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...				US Patent US9353101 (2016) BindingDB Entry DOI: 10.7270/Q2765D7V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50173348 (1-(4-tert-Butyl-phenyl)-5-chloro-3-(4-chloro-3-tri...) Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2ccc(Cl)c(c2)C(F)(F)F)c2cc(Cl)ccc12 Show InChI InChI=1S/C26H20Cl2F3NO3/c1-25(2,3)14-4-7-16(8-5-14)32-21-11-6-15(27)12-18(21)23(22(32)24(33)34)35-17-9-10-20(28)19(13-17)26(29,30)31/h4-13H,1-3H3,(H,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay				Bioorg Med Chem Lett 15: 5035-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.002 BindingDB Entry DOI: 10.7270/Q27H1J56
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM234620 (US9353101, 16) Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1)C(C)(O)C(F)(F)F |r| Show InChI InChI=1S/C29H25F10N5O4/c1-13-22(14-4-15(27(31,32)33)6-16(5-14)28(34,35)36)48-25(45)44(13)12-21-20(9-41-24(42-21)43-10-18(30)11-43)19-7-17(8-40-23(19)47-3)26(2,46)29(37,38)39/h4-9,13,18,22,46H,10-12H2,1-3H3/t13-,22-,26?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...				US Patent US9353101 (2016) BindingDB Entry DOI: 10.7270/Q2765D7V
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM234613 (US9353101, 9) Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1)C(F)(F)F |r| Show InChI InChI=1S/C27H21F10N5O3/c1-12-21(13-3-14(25(29,30)31)5-15(4-13)26(32,33)34)45-24(43)42(12)11-20-19(8-39-23(40-20)41-9-17(28)10-41)18-6-16(27(35,36)37)7-38-22(18)44-2/h3-8,12,17,21H,9-11H2,1-2H3/t12-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...				US Patent US9353101 (2016) BindingDB Entry DOI: 10.7270/Q2765D7V
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM234627 (US9353101, 23) Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)(F)C1)-c1c(C)n[nH]c1C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...				US Patent US9353101 (2016) BindingDB Entry DOI: 10.7270/Q2765D7V
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM234665 (US9353101, 61) Show SMILES COc1ncc(cc1-c1ccc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1)-c1ccc(cc1C)C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C39H37F7N4O5/c1-20-11-22(35(51)55-37(3,4)5)7-8-28(20)24-14-30(34(53-6)47-16-24)29-9-10-32(49-17-27(40)18-49)48-31(29)19-50-21(2)33(54-36(50)52)23-12-25(38(41,42)43)15-26(13-23)39(44,45)46/h7-16,21,27,33H,17-19H2,1-6H3/t21-,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...				US Patent US9353101 (2016) BindingDB Entry DOI: 10.7270/Q2765D7V
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM234663 (US9353101, 59) Show SMILES COc1ncc(cc1-c1ccc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)(F)C1)-c1ccc(cc1C)C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C39H36F8N4O5/c1-20-11-22(34(52)56-36(3,4)5)7-8-27(20)24-14-29(33(54-6)48-16-24)28-9-10-31(50-18-37(40,41)19-50)49-30(28)17-51-21(2)32(55-35(51)53)23-12-25(38(42,43)44)15-26(13-23)39(45,46)47/h7-16,21,32H,17-19H2,1-6H3/t21-,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...				US Patent US9353101 (2016) BindingDB Entry DOI: 10.7270/Q2765D7V
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM234652 (US9353101, 48) Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(F)cc(c1)C(F)(F)F)N1CC(F)C1)-c1c(C)cc(cc1C)C(O)=O |r| Show InChI InChI=1S/C34H30F5N5O5/c1-16-5-20(31(45)46)6-17(2)28(16)21-9-25(30(48-4)40-11-21)26-12-41-32(43-13-24(36)14-43)42-27(26)15-44-18(3)29(49-33(44)47)19-7-22(34(37,38)39)10-23(35)8-19/h5-12,18,24,29H,13-15H2,1-4H3,(H,45,46)/t18-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...				US Patent US9353101 (2016) BindingDB Entry DOI: 10.7270/Q2765D7V
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM234618 (US9353101, 14) Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(F)cc(F)c1)N1CC(F)C1)C(C)C |r| Show InChI InChI=1S/C27H28F3N5O3/c1-14(2)17-7-21(25(37-4)31-9-17)22-10-32-26(34-11-20(30)12-34)33-23(22)13-35-15(3)24(38-27(35)36)16-5-18(28)8-19(29)6-16/h5-10,14-15,20,24H,11-13H2,1-4H3/t15-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...				US Patent US9353101 (2016) BindingDB Entry DOI: 10.7270/Q2765D7V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50173366 (1-(4-tert-Butyl-phenyl)-5-chloro-3-(3-trifluoromet...) Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)C(F)(F)F)c2cc(Cl)ccc12 Show InChI InChI=1S/C26H21ClF3NO3/c1-25(2,3)15-7-10-18(11-8-15)31-21-12-9-17(27)14-20(21)23(22(31)24(32)33)34-19-6-4-5-16(13-19)26(28,29)30/h4-14H,1-3H3,(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay				Bioorg Med Chem Lett 15: 5035-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.002 BindingDB Entry DOI: 10.7270/Q27H1J56
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50173357 (1-(4-tert-Butyl-phenyl)-5-ethoxy-3-(3-trifluoromet...) Show SMILES CCOc1ccc2n(c(C(O)=O)c(Oc3cccc(c3)C(F)(F)F)c2c1)-c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C28H26F3NO4/c1-5-35-20-13-14-23-22(16-20)25(36-21-8-6-7-18(15-21)28(29,30)31)24(26(33)34)32(23)19-11-9-17(10-12-19)27(2,3)4/h6-16H,5H2,1-4H3,(H,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay				Bioorg Med Chem Lett 15: 5035-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.002 BindingDB Entry DOI: 10.7270/Q27H1J56
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM234634 (US9353101, 30) Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCC[C@@H]1C)C(C)C |r| Show InChI InChI=1S/C31H33F6N5O3/c1-16(2)20-11-23(27(44-5)38-13-20)24-14-39-28(41-8-6-7-17(41)3)40-25(24)15-42-18(4)26(45-29(42)43)19-9-21(30(32,33)34)12-22(10-19)31(35,36)37/h9-14,16-18,26H,6-8,15H2,1-5H3/t17-,18-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...				US Patent US9353101 (2016) BindingDB Entry DOI: 10.7270/Q2765D7V
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM234625 (US9353101, 21) Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1)-c1c(C)nn(CC#N)c1C |r| Show InChI InChI=1S/C33H29F7N8O3/c1-16-27(17(2)48(45-16)6-5-41)20-9-24(29(50-4)42-11-20)25-12-43-30(46-13-23(34)14-46)44-26(25)15-47-18(3)28(51-31(47)49)19-7-21(32(35,36)37)10-22(8-19)33(38,39)40/h7-12,18,23,28H,6,13-15H2,1-4H3/t18-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...				US Patent US9353101 (2016) BindingDB Entry DOI: 10.7270/Q2765D7V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50173354 (1-(4-tert-Butyl-phenyl)-5-isobutoxy-3-(3-trifluoro...) Show SMILES CC(C)COc1ccc2n(c(C(O)=O)c(Oc3cccc(c3)C(F)(F)F)c2c1)-c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C30H30F3NO4/c1-18(2)17-37-22-13-14-25-24(16-22)27(38-23-8-6-7-20(15-23)30(31,32)33)26(28(35)36)34(25)21-11-9-19(10-12-21)29(3,4)5/h6-16,18H,17H2,1-5H3,(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay				Bioorg Med Chem Lett 15: 5035-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.002 BindingDB Entry DOI: 10.7270/Q27H1J56
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM234631 (US9353101, 27) Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCC1)-c1c(C)n[nH]c1C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...				US Patent US9353101 (2016) BindingDB Entry DOI: 10.7270/Q2765D7V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50173343 (1-(4-tert-Butyl-phenyl)-6-chloro-3-(3-isopropyl-ph...) Show SMILES CC(C)c1cccc(Oc2c(C(O)=O)n(-c3ccc(cc3)C(C)(C)C)c3cc(Cl)ccc23)c1 Show InChI InChI=1S/C28H28ClNO3/c1-17(2)18-7-6-8-22(15-18)33-26-23-14-11-20(29)16-24(23)30(25(26)27(31)32)21-12-9-19(10-13-21)28(3,4)5/h6-17H,1-5H3,(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay				Bioorg Med Chem Lett 15: 5035-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.002 BindingDB Entry DOI: 10.7270/Q27H1J56
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM234629 (US9353101, 25) Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCCC1)-c1c(C)n[nH]c1C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...				US Patent US9353101 (2016) BindingDB Entry DOI: 10.7270/Q2765D7V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50173362 (1-(4-tert-Butyl-phenyl)-6-chloro-3-(3-trifluoromet...) Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)C(F)(F)F)c2ccc(Cl)nc12 Show InChI InChI=1S/C25H20ClF3N2O3/c1-24(2,3)14-7-9-16(10-8-14)31-20(23(32)33)21(18-11-12-19(26)30-22(18)31)34-17-6-4-5-15(13-17)25(27,28)29/h4-13H,1-3H3,(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay				Bioorg Med Chem Lett 15: 5035-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.002 BindingDB Entry DOI: 10.7270/Q27H1J56
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM234659 (US9353101, 55) Show SMILES COc1ncc(cc1-c1ccc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCOCC1)-c1ccc(cc1C)C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C40H40F6N4O6/c1-22-15-24(36(51)56-38(3,4)5)7-8-29(22)26-18-31(35(53-6)47-20-26)30-9-10-33(49-11-13-54-14-12-49)48-32(30)21-50-23(2)34(55-37(50)52)25-16-27(39(41,42)43)19-28(17-25)40(44,45)46/h7-10,15-20,23,34H,11-14,21H2,1-6H3/t23-,34-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...				US Patent US9353101 (2016) BindingDB Entry DOI: 10.7270/Q2765D7V
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM234626 (US9353101, 22) Show SMILES COc1ncc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1)-c1c(C)nn(CC(N)=O)c1C |r| Show InChI InChI=1S/C33H31F7N8O4/c1-15-27(16(2)48(45-15)14-26(41)49)19-7-23(29(51-4)42-9-19)24-10-43-30(46-11-22(34)12-46)44-25(24)13-47-17(3)28(52-31(47)50)18-5-20(32(35,36)37)8-21(6-18)33(38,39)40/h5-10,17,22,28H,11-14H2,1-4H3,(H2,41,49)/t17-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	7.4	37
Merck Sharp & Dohme Corp. US Patent					Assay Description Radiolabeled donor particles are generated by first combining 100 μl of 200 μM butylated hydroxyl toluene in CHCl3, 216 μL of 21.57 mM DOPC ...				US Patent US9353101 (2016) BindingDB Entry DOI: 10.7270/Q2765D7V
					More data for this Ligand-Target Pair

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