Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50011524   

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))	BDBM50075315 (5-(2,4-Dioxo-thiazolidin-5-ylmethyl)-2-methoxy-N-(...) Show SMILES COc1ccc(Cc2sc(=O)[nH]c2O)cc1C(=O)NCc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C20H17F3N2O4S/c1-29-15-7-4-12(9-16-18(27)25-19(28)30-16)8-14(15)17(26)24-10-11-2-5-13(6-3-11)20(21,22)23/h2-8,27H,9-10H2,1H3,(H,24,26)(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	n/a	n/a	800	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Concentration of compound that affords half-maximum transactivation of human Peroxisome proliferator activated receptor gamma in CHO-K1 cells was det...				Bioorg Med Chem Lett 12: 77-80 (2001) BindingDB Entry DOI: 10.7270/Q20P0Z94
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50107543 (4-[4-Methoxy-3-(4-trifluoromethyl-benzylcarbamoyl)...) Show SMILES COc1ccc(CCCC(O)=O)cc1C(=O)NCc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C20H20F3NO4/c1-28-17-10-7-13(3-2-4-18(25)26)11-16(17)19(27)24-12-14-5-8-15(9-6-14)20(21,22)23/h5-11H,2-4,12H2,1H3,(H,24,27)(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Transactivation of human Peroxisome proliferator activated receptor alpha expressed in CHO-K1 cells				Bioorg Med Chem Lett 12: 77-80 (2001) BindingDB Entry DOI: 10.7270/Q20P0Z94
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50107542 (3-[4-Methoxy-3-(4-trifluoromethyl-benzylcarbamoyl)...) Show SMILES COc1ccc(CCC(O)=O)cc1C(=O)NCc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C19H18F3NO4/c1-27-16-8-4-12(5-9-17(24)25)10-15(16)18(26)23-11-13-2-6-14(7-3-13)19(20,21)22/h2-4,6-8,10H,5,9,11H2,1H3,(H,23,26)(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Transactivation of human Peroxisome proliferator activated receptor alpha expressed in CHO-K1 cells				Bioorg Med Chem Lett 12: 77-80 (2001) BindingDB Entry DOI: 10.7270/Q20P0Z94
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50107543 (4-[4-Methoxy-3-(4-trifluoromethyl-benzylcarbamoyl)...) Show SMILES COc1ccc(CCCC(O)=O)cc1C(=O)NCc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C20H20F3NO4/c1-28-17-10-7-13(3-2-4-18(25)26)11-16(17)19(27)24-12-14-5-8-15(9-6-14)20(21,22)23/h5-11H,2-4,12H2,1H3,(H,24,27)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Concentration of compound that affords half-maximum transactivation of human Peroxisome proliferator activated receptor gamma in CHO-K1 cells was det...				Bioorg Med Chem Lett 12: 77-80 (2001) BindingDB Entry DOI: 10.7270/Q20P0Z94
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM28701 (2-(4-{2-[(4-chlorophenyl)formamido]ethyl}phenoxy)-...) Show SMILES CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(O)=O Show InChI InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	PDB PubMed	n/a	n/a	n/a	n/a	>7.80E+4	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Transactivation of human Peroxisome proliferator activated receptor alpha expressed in CHO-K1 cells				Bioorg Med Chem Lett 12: 77-80 (2001) BindingDB Entry DOI: 10.7270/Q20P0Z94
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50107541 (2-Ethoxy-3-[4-methoxy-3-(4-trifluoromethyl-benzylc...) Show SMILES CCOC(Cc1ccc(OC)c(c1)C(=O)NCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C21H22F3NO5/c1-3-30-18(20(27)28)11-14-6-9-17(29-2)16(10-14)19(26)25-12-13-4-7-15(8-5-13)21(22,23)24/h4-10,18H,3,11-12H2,1-2H3,(H,25,26)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Transactivation of human Peroxisome proliferator activated receptor alpha expressed in CHO-K1 cells				Bioorg Med Chem Lett 12: 77-80 (2001) BindingDB Entry DOI: 10.7270/Q20P0Z94
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50107544 (3-[4-Methoxy-3-(4-trifluoromethyl-benzylcarbamoyl)...) Show SMILES COc1ccc(CC(C)(C)C(O)=O)cc1C(=O)NCc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H22F3NO4/c1-20(2,19(27)28)11-14-6-9-17(29-3)16(10-14)18(26)25-12-13-4-7-15(8-5-13)21(22,23)24/h4-10H,11-12H2,1-3H3,(H,25,26)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Transactivation of human Peroxisome proliferator activated receptor alpha expressed in CHO-K1 cells				Bioorg Med Chem Lett 12: 77-80 (2001) BindingDB Entry DOI: 10.7270/Q20P0Z94
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50107546 (2-(3-((4-(trifluoromethyl)benzyl)carbamoyl)-4-meth...) Show SMILES CCC(Cc1ccc(OC)c(c1)C(=O)NCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C21H22F3NO4/c1-3-15(20(27)28)10-14-6-9-18(29-2)17(11-14)19(26)25-12-13-4-7-16(8-5-13)21(22,23)24/h4-9,11,15H,3,10,12H2,1-2H3,(H,25,26)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Transactivation of human Peroxisome proliferator activated receptor alpha expressed in CHO-K1 cells				Bioorg Med Chem Lett 12: 77-80 (2001) BindingDB Entry DOI: 10.7270/Q20P0Z94
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50107545 (3-[4-Methoxy-3-(4-trifluoromethyl-benzylcarbamoyl)...) Show SMILES COc1ccc(CC(C)C(O)=O)cc1C(=O)NCc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C20H20F3NO4/c1-12(19(26)27)9-14-5-8-17(28-2)16(10-14)18(25)24-11-13-3-6-15(7-4-13)20(21,22)23/h3-8,10,12H,9,11H2,1-2H3,(H,24,25)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	240	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Transactivation of human Peroxisome proliferator activated receptor alpha expressed in CHO-K1 cells				Bioorg Med Chem Lett 12: 77-80 (2001) BindingDB Entry DOI: 10.7270/Q20P0Z94
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50107548 (2-Ethyl-2-[4-methoxy-3-(4-trifluoromethyl-benzylca...) Show SMILES CCC(CC)(Cc1ccc(OC)c(c1)C(=O)NCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C23H26F3NO4/c1-4-22(5-2,21(29)30)13-16-8-11-19(31-3)18(12-16)20(28)27-14-15-6-9-17(10-7-15)23(24,25)26/h6-12H,4-5,13-14H2,1-3H3,(H,27,28)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Transactivation of human Peroxisome proliferator activated receptor alpha expressed in CHO-K1 cells				Bioorg Med Chem Lett 12: 77-80 (2001) BindingDB Entry DOI: 10.7270/Q20P0Z94
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM28701 (2-(4-{2-[(4-chlorophenyl)formamido]ethyl}phenoxy)-...) Show SMILES CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(O)=O Show InChI InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	DrugBank PDB PubMed	n/a	n/a	n/a	n/a	>1.37E+5	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Concentration of compound that affords half-maximum transactivation of human Peroxisome proliferator activated receptor gamma in CHO-K1 cells was det...				Bioorg Med Chem Lett 12: 77-80 (2001) BindingDB Entry DOI: 10.7270/Q20P0Z94
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50075315 (5-(2,4-Dioxo-thiazolidin-5-ylmethyl)-2-methoxy-N-(...) Show SMILES COc1ccc(Cc2sc(=O)[nH]c2O)cc1C(=O)NCc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C20H17F3N2O4S/c1-29-15-7-4-12(9-16-18(27)25-19(28)30-16)8-14(15)17(26)24-10-11-2-5-13(6-3-11)20(21,22)23/h2-8,27H,9-10H2,1H3,(H,24,26)(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Transactivation of human Peroxisome proliferator activated receptor alpha expressed in CHO-K1 cells				Bioorg Med Chem Lett 12: 77-80 (2001) BindingDB Entry DOI: 10.7270/Q20P0Z94
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50107547 (2-[4-Methoxy-3-(4-trifluoromethyl-benzylcarbamoyl)...) Show SMILES COc1ccc(CC(C(C)C)C(O)=O)cc1C(=O)NCc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H24F3NO4/c1-13(2)17(21(28)29)10-15-6-9-19(30-3)18(11-15)20(27)26-12-14-4-7-16(8-5-14)22(23,24)25/h4-9,11,13,17H,10,12H2,1-3H3,(H,26,27)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	290	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Transactivation of human Peroxisome proliferator activated receptor alpha expressed in CHO-K1 cells				Bioorg Med Chem Lett 12: 77-80 (2001) BindingDB Entry DOI: 10.7270/Q20P0Z94
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50107546 (2-(3-((4-(trifluoromethyl)benzyl)carbamoyl)-4-meth...) Show SMILES CCC(Cc1ccc(OC)c(c1)C(=O)NCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C21H22F3NO4/c1-3-15(20(27)28)10-14-6-9-18(29-2)17(11-14)19(26)25-12-13-4-7-16(8-5-13)21(22,23)24/h4-9,11,15H,3,10,12H2,1-2H3,(H,25,26)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Concentration of compound that affords half-maximum transactivation of human Peroxisome proliferator activated receptor gamma in CHO-K1 cells was det...				Bioorg Med Chem Lett 12: 77-80 (2001) BindingDB Entry DOI: 10.7270/Q20P0Z94
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50107551 (2-Methoxy-3-[4-methoxy-3-(4-trifluoromethyl-benzyl...) Show SMILES COC(Cc1ccc(OC)c(c1)C(=O)NCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C20H20F3NO5/c1-28-16-8-5-13(10-17(29-2)19(26)27)9-15(16)18(25)24-11-12-3-6-14(7-4-12)20(21,22)23/h3-9,17H,10-11H2,1-2H3,(H,24,25)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	230	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Transactivation of human Peroxisome proliferator activated receptor alpha expressed in CHO-K1 cells				Bioorg Med Chem Lett 12: 77-80 (2001) BindingDB Entry DOI: 10.7270/Q20P0Z94
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50107550 (2-[4-Methoxy-3-(4-trifluoromethyl-benzylcarbamoyl)...) Show SMILES CCCC(Cc1ccc(OC)c(c1)C(=O)NCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C22H24F3NO4/c1-3-4-16(21(28)29)11-15-7-10-19(30-2)18(12-15)20(27)26-13-14-5-8-17(9-6-14)22(23,24)25/h5-10,12,16H,3-4,11,13H2,1-2H3,(H,26,27)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	360	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Transactivation of human Peroxisome proliferator activated receptor alpha expressed in CHO-K1 cells				Bioorg Med Chem Lett 12: 77-80 (2001) BindingDB Entry DOI: 10.7270/Q20P0Z94
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50107549 (2-[4-Methoxy-3-(4-trifluoromethyl-benzylcarbamoyl)...) Show SMILES CCCCC(Cc1ccc(OC)c(c1)C(=O)NCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C23H26F3NO4/c1-3-4-5-17(22(29)30)12-16-8-11-20(31-2)19(13-16)21(28)27-14-15-6-9-18(10-7-15)23(24,25)26/h6-11,13,17H,3-5,12,14H2,1-2H3,(H,27,28)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Concentration of compound that affords half-maximum transactivation of human Peroxisome proliferator activated receptor gamma in CHO-K1 cells was det...				Bioorg Med Chem Lett 12: 77-80 (2001) BindingDB Entry DOI: 10.7270/Q20P0Z94
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50107549 (2-[4-Methoxy-3-(4-trifluoromethyl-benzylcarbamoyl)...) Show SMILES CCCCC(Cc1ccc(OC)c(c1)C(=O)NCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C23H26F3NO4/c1-3-4-5-17(22(29)30)12-16-8-11-20(31-2)19(13-16)21(28)27-14-15-6-9-18(10-7-15)23(24,25)26/h6-11,13,17H,3-5,12,14H2,1-2H3,(H,27,28)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Transactivation of human Peroxisome proliferator activated receptor alpha expressed in CHO-K1 cells				Bioorg Med Chem Lett 12: 77-80 (2001) BindingDB Entry DOI: 10.7270/Q20P0Z94
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50107541 (2-Ethoxy-3-[4-methoxy-3-(4-trifluoromethyl-benzylc...) Show SMILES CCOC(Cc1ccc(OC)c(c1)C(=O)NCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C21H22F3NO5/c1-3-30-18(20(27)28)11-14-6-9-17(29-2)16(10-14)19(26)25-12-13-4-7-15(8-5-13)21(22,23)24/h4-10,18H,3,11-12H2,1-2H3,(H,25,26)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Concentration of compound that affords half-maximum transactivation of human Peroxisome proliferator activated receptor gamma in CHO-K1 cells was det...				Bioorg Med Chem Lett 12: 77-80 (2001) BindingDB Entry DOI: 10.7270/Q20P0Z94
					More data for this Ligand-Target Pair