Compile Data Set for Download or QSAR

Found 76 hits with Last Name = 'thompson' and Initial = 'rc'   

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 alpha (Homo sapiens (Human))	BDBM50135773 (2-(4-{3-[1-(3,4-Dimethyl-benzyl)-4-methyl-5-oxo-4,...) Show SMILES Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(O)=O)cc3)n(C)c2=O)cc1C Show InChI InChI=1S/C25H31N3O4/c1-17-9-10-20(15-18(17)2)16-28-24(31)27(5)22(26-28)8-6-7-19-11-13-21(14-12-19)32-25(3,4)23(29)30/h9-15H,6-8,16H2,1-5H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Division of Eli Lilly & Company Curated by ChEMBL					Assay Description Inhibitory activity against human Peroxisome proliferator activated receptor alpha				J Med Chem 46: 5121-4 (2003) Article DOI: 10.1021/jm034173l BindingDB Entry DOI: 10.7270/Q2D50MB0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50135777 (2-(4-{3-[1-(4-tert-Butyl-benzyl)-4-methyl-5-oxo-4,...) Show SMILES Cn1c(CCCc2ccc(OC(C)(C)C(O)=O)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O Show InChI InChI=1S/C27H35N3O4/c1-26(2,3)21-14-10-20(11-15-21)18-30-25(33)29(6)23(28-30)9-7-8-19-12-16-22(17-13-19)34-27(4,5)24(31)32/h10-17H,7-9,18H2,1-6H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Division of Eli Lilly & Company Curated by ChEMBL					Assay Description Inhibitory activity against human Peroxisome proliferator activated receptor alpha				J Med Chem 46: 5121-4 (2003) Article DOI: 10.1021/jm034173l BindingDB Entry DOI: 10.7270/Q2D50MB0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50135775 (2-Methyl-2-(4-{3-[1-(4-methyl-benzyl)-5-oxo-4-prop...) Show SMILES CCCn1c(CCCc2ccc(OC(C)(C)C(O)=O)cc2)nn(Cc2ccc(C)cc2)c1=O Show InChI InChI=1S/C26H33N3O4/c1-5-17-28-23(27-29(25(28)32)18-21-11-9-19(2)10-12-21)8-6-7-20-13-15-22(16-14-20)33-26(3,4)24(30)31/h9-16H,5-8,17-18H2,1-4H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Division of Eli Lilly & Company Curated by ChEMBL					Assay Description Inhibitory activity against human Peroxisome proliferator activated receptor alpha				J Med Chem 46: 5121-4 (2003) Article DOI: 10.1021/jm034173l BindingDB Entry DOI: 10.7270/Q2D50MB0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50135782 (2-(4-{3-[1-(3-Methoxy-benzyl)-5-oxo-4-propyl-4,5-d...) Show SMILES CCCn1c(CCCc2ccc(OC(C)(C)C(O)=O)cc2)nn(Cc2cccc(OC)c2)c1=O Show InChI InChI=1S/C26H33N3O5/c1-5-16-28-23(27-29(25(28)32)18-20-9-6-10-22(17-20)33-4)11-7-8-19-12-14-21(15-13-19)34-26(2,3)24(30)31/h6,9-10,12-15,17H,5,7-8,11,16,18H2,1-4H3,(H,30,31)	PDB UniProtKB/SwissProt 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
Division of Eli Lilly & Company Curated by ChEMBL					Assay Description Inhibitory activity against human Peroxisome proliferator activated receptor alpha				J Med Chem 46: 5121-4 (2003) Article DOI: 10.1021/jm034173l BindingDB Entry DOI: 10.7270/Q2D50MB0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50135780 (2-Methyl-2-(4-{3-[1-(4-methyl-benzyl)-5-oxo-4,5-di...) Show SMILES Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(O)=O)cc3)[nH]c2=O)cc1 Show InChI InChI=1S/C23H27N3O4/c1-16-7-9-18(10-8-16)15-26-22(29)24-20(25-26)6-4-5-17-11-13-19(14-12-17)30-23(2,3)21(27)28/h7-14H,4-6,15H2,1-3H3,(H,27,28)(H,24,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Division of Eli Lilly & Company Curated by ChEMBL					Assay Description Inhibitory activity against human Peroxisome proliferator activated receptor alpha				J Med Chem 46: 5121-4 (2003) Article DOI: 10.1021/jm034173l BindingDB Entry DOI: 10.7270/Q2D50MB0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50135779 (2-(4-{3-[4-(2-Hydroxy-ethyl)-1-(4-methyl-benzyl)-5...) Show SMILES Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(O)=O)cc3)n(CCO)c2=O)cc1 Show InChI InChI=1S/C25H31N3O5/c1-18-7-9-20(10-8-18)17-28-24(32)27(15-16-29)22(26-28)6-4-5-19-11-13-21(14-12-19)33-25(2,3)23(30)31/h7-14,29H,4-6,15-17H2,1-3H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Division of Eli Lilly & Company Curated by ChEMBL					Assay Description Inhibitory activity against human Peroxisome proliferator activated receptor alpha				J Med Chem 46: 5121-4 (2003) Article DOI: 10.1021/jm034173l BindingDB Entry DOI: 10.7270/Q2D50MB0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM28799 (2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...) Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Division of Eli Lilly & Company Curated by ChEMBL					Assay Description Inhibitory activity against human Peroxisome proliferator activated receptor alpha				J Med Chem 46: 5121-4 (2003) Article DOI: 10.1021/jm034173l BindingDB Entry DOI: 10.7270/Q2D50MB0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50135781 (2-Methyl-2-(4-{3-[5-oxo-1-(1-phenyl-ethyl)-4-propy...) Show SMILES CCCn1c(CCCc2ccc(OC(C)(C)C(O)=O)cc2)nn(C(C)c2ccccc2)c1=O Show InChI InChI=1S/C26H33N3O4/c1-5-18-28-23(27-29(25(28)32)19(2)21-11-7-6-8-12-21)13-9-10-20-14-16-22(17-15-20)33-26(3,4)24(30)31/h6-8,11-12,14-17,19H,5,9-10,13,18H2,1-4H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Division of Eli Lilly & Company Curated by ChEMBL					Assay Description Inhibitory activity against human Peroxisome proliferator activated receptor alpha				J Med Chem 46: 5121-4 (2003) Article DOI: 10.1021/jm034173l BindingDB Entry DOI: 10.7270/Q2D50MB0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50135774 (2-{4-[3-(1-Cyclohexylmethyl-5-oxo-4-propyl-4,5-dih...) Show SMILES CCCn1c(CCCc2ccc(OC(C)(C)C(O)=O)cc2)nn(CC2CCCCC2)c1=O Show InChI InChI=1S/C25H37N3O4/c1-4-17-27-22(26-28(24(27)31)18-20-9-6-5-7-10-20)12-8-11-19-13-15-21(16-14-19)32-25(2,3)23(29)30/h13-16,20H,4-12,17-18H2,1-3H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Division of Eli Lilly & Company Curated by ChEMBL					Assay Description Inhibitory activity against human Peroxisome proliferator activated receptor alpha				J Med Chem 46: 5121-4 (2003) Article DOI: 10.1021/jm034173l BindingDB Entry DOI: 10.7270/Q2D50MB0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490735 (CHEMBL1863002 | DNDI1449875) Show SMILES Fc1cc(Cl)ccc1C(N1CCN(CC1)C(=O)Nc1ccc(Cl)cc1)c1cncnc1 Show InChI InChI=1S/C22H20Cl2FN5O/c23-16-1-4-18(5-2-16)28-22(31)30-9-7-29(8-10-30)21(15-12-26-14-27-13-15)19-6-3-17(24)11-20(19)25/h1-6,11-14,21H,7-10H2,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50135777 (2-(4-{3-[1-(4-tert-Butyl-benzyl)-4-methyl-5-oxo-4,...) Show SMILES Cn1c(CCCc2ccc(OC(C)(C)C(O)=O)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O Show InChI InChI=1S/C27H35N3O4/c1-26(2,3)21-14-10-20(11-15-21)18-30-25(33)29(6)23(28-30)9-7-8-19-12-16-22(17-13-19)34-27(4,5)24(31)32/h10-17H,7-9,18H2,1-6H3,(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Division of Eli Lilly & Company Curated by ChEMBL					Assay Description Inhibitory activity of compound against the binding of human Peroxisome proliferator activated receptor gamma was determined				J Med Chem 46: 5121-4 (2003) Article DOI: 10.1021/jm034173l BindingDB Entry DOI: 10.7270/Q2D50MB0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM28799 (2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...) Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Division of Eli Lilly & Company Curated by ChEMBL					Assay Description Inhibitory activity of compound against the binding of human Peroxisome proliferator activated receptor gamma was determined				J Med Chem 46: 5121-4 (2003) Article DOI: 10.1021/jm034173l BindingDB Entry DOI: 10.7270/Q2D50MB0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490750 (CHEMBL2334336) Show SMILES Fc1cc(Cl)ccc1C(N1CCN(CC1)S(=O)(=O)c1ccccc1)c1cccnc1 Show InChI InChI=1S/C22H21ClFN3O2S/c23-18-8-9-20(21(24)15-18)22(17-5-4-10-25-16-17)26-11-13-27(14-12-26)30(28,29)19-6-2-1-3-7-19/h1-10,15-16,22H,11-14H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50135773 (2-(4-{3-[1-(3,4-Dimethyl-benzyl)-4-methyl-5-oxo-4,...) Show SMILES Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(O)=O)cc3)n(C)c2=O)cc1C Show InChI InChI=1S/C25H31N3O4/c1-17-9-10-20(15-18(17)2)16-28-24(31)27(5)22(26-28)8-6-7-19-11-13-21(14-12-19)32-25(3,4)23(29)30/h9-15H,6-8,16H2,1-5H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
Division of Eli Lilly & Company Curated by ChEMBL					Assay Description Inhibitory activity of compound against the binding of human Peroxisome proliferator activated receptor delta was determined				J Med Chem 46: 5121-4 (2003) Article DOI: 10.1021/jm034173l BindingDB Entry DOI: 10.7270/Q2D50MB0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490748 (CHEMBL1863056 | DNDI1435775) Show SMILES CC(C)S(=O)(=O)N1CCN(CC1)C(c1ccc(Cl)cc1)c1cccnc1 Show InChI InChI=1S/C19H24ClN3O2S/c1-15(2)26(24,25)23-12-10-22(11-13-23)19(17-4-3-9-21-14-17)16-5-7-18(20)8-6-16/h3-9,14-15,19H,10-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50135774 (2-{4-[3-(1-Cyclohexylmethyl-5-oxo-4-propyl-4,5-dih...) Show SMILES CCCn1c(CCCc2ccc(OC(C)(C)C(O)=O)cc2)nn(CC2CCCCC2)c1=O Show InChI InChI=1S/C25H37N3O4/c1-4-17-27-22(26-28(24(27)31)18-20-9-6-5-7-10-20)12-8-11-19-13-15-21(16-14-19)32-25(2,3)23(29)30/h13-16,20H,4-12,17-18H2,1-3H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
Division of Eli Lilly & Company Curated by ChEMBL					Assay Description Inhibitory activity of compound against the binding of human Peroxisome proliferator activated receptor delta was determined				J Med Chem 46: 5121-4 (2003) Article DOI: 10.1021/jm034173l BindingDB Entry DOI: 10.7270/Q2D50MB0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50135776 (2-(4-{3-[4-Carboxymethyl-1-(4-methyl-benzyl)-5-oxo...) Show SMILES Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(O)=O)cc3)n(CC(O)=O)c2=O)cc1 Show InChI InChI=1S/C25H29N3O6/c1-17-7-9-19(10-8-17)15-28-24(33)27(16-22(29)30)21(26-28)6-4-5-18-11-13-20(14-12-18)34-25(2,3)23(31)32/h7-14H,4-6,15-16H2,1-3H3,(H,29,30)(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
Division of Eli Lilly & Company Curated by ChEMBL					Assay Description Inhibitory activity against human Peroxisome proliferator activated receptor alpha				J Med Chem 46: 5121-4 (2003) Article DOI: 10.1021/jm034173l BindingDB Entry DOI: 10.7270/Q2D50MB0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490744 (CHEMBL1862905 | DNDI1467768) Show SMILES CC(C)(C)C(=O)N1CCN(CC1)C(c1cccnc1)c1ccc(Cl)cc1F Show InChI InChI=1S/C21H25ClFN3O/c1-21(2,3)20(27)26-11-9-25(10-12-26)19(15-5-4-8-24-14-15)17-7-6-16(22)13-18(17)23/h4-8,13-14,19H,9-12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490737 (CHEMBL1863288 | DNDI1538112) Show SMILES CS(=O)(=O)N1CCN(CC1)C(c1cccnc1)c1ccc(cc1F)C(F)(F)F Show InChI InChI=1S/C18H19F4N3O2S/c1-28(26,27)25-9-7-24(8-10-25)17(13-3-2-6-23-12-13)15-5-4-14(11-16(15)19)18(20,21)22/h2-6,11-12,17H,7-10H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50135775 (2-Methyl-2-(4-{3-[1-(4-methyl-benzyl)-5-oxo-4-prop...) Show SMILES CCCn1c(CCCc2ccc(OC(C)(C)C(O)=O)cc2)nn(Cc2ccc(C)cc2)c1=O Show InChI InChI=1S/C26H33N3O4/c1-5-17-28-23(27-29(25(28)32)18-21-11-9-19(2)10-12-21)8-6-7-20-13-15-22(16-14-20)33-26(3,4)24(30)31/h9-16H,5-8,17-18H2,1-4H3,(H,30,31)	PDB UniProtKB/SwissProt 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
Division of Eli Lilly & Company Curated by ChEMBL					Assay Description Inhibitory activity of compound against the binding of human Peroxisome proliferator activated receptor delta was determined				J Med Chem 46: 5121-4 (2003) Article DOI: 10.1021/jm034173l BindingDB Entry DOI: 10.7270/Q2D50MB0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490736 (CHEMBL1863145 | DNDI1343536) Show SMILES CS(=O)(=O)N1CCN(CC1)C(c1cccnc1)c1ccc(Cl)cc1F Show InChI InChI=1S/C17H19ClFN3O2S/c1-25(23,24)22-9-7-21(8-10-22)17(13-3-2-6-20-12-13)15-5-4-14(18)11-16(15)19/h2-6,11-12,17H,7-10H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50135781 (2-Methyl-2-(4-{3-[5-oxo-1-(1-phenyl-ethyl)-4-propy...) Show SMILES CCCn1c(CCCc2ccc(OC(C)(C)C(O)=O)cc2)nn(C(C)c2ccccc2)c1=O Show InChI InChI=1S/C26H33N3O4/c1-5-18-28-23(27-29(25(28)32)19(2)21-11-7-6-8-12-21)13-9-10-20-14-16-22(17-15-20)33-26(3,4)24(30)31/h6-8,11-12,14-17,19H,5,9-10,13,18H2,1-4H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Division of Eli Lilly & Company Curated by ChEMBL					Assay Description Inhibitory activity of compound against the binding of human Peroxisome proliferator activated receptor delta was determined				J Med Chem 46: 5121-4 (2003) Article DOI: 10.1021/jm034173l BindingDB Entry DOI: 10.7270/Q2D50MB0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50135777 (2-(4-{3-[1-(4-tert-Butyl-benzyl)-4-methyl-5-oxo-4,...) Show SMILES Cn1c(CCCc2ccc(OC(C)(C)C(O)=O)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O Show InChI InChI=1S/C27H35N3O4/c1-26(2,3)21-14-10-20(11-15-21)18-30-25(33)29(6)23(28-30)9-7-8-19-12-16-22(17-13-19)34-27(4,5)24(31)32/h10-17H,7-9,18H2,1-6H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Division of Eli Lilly & Company Curated by ChEMBL					Assay Description Inhibitory activity of compound against the binding of human Peroxisome proliferator activated receptor delta was determined				J Med Chem 46: 5121-4 (2003) Article DOI: 10.1021/jm034173l BindingDB Entry DOI: 10.7270/Q2D50MB0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50135773 (2-(4-{3-[1-(3,4-Dimethyl-benzyl)-4-methyl-5-oxo-4,...) Show SMILES Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(O)=O)cc3)n(C)c2=O)cc1C Show InChI InChI=1S/C25H31N3O4/c1-17-9-10-20(15-18(17)2)16-28-24(31)27(5)22(26-28)8-6-7-19-11-13-21(14-12-19)32-25(3,4)23(29)30/h9-15H,6-8,16H2,1-5H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Division of Eli Lilly & Company Curated by ChEMBL					Assay Description Inhibitory activity of compound against the binding of human Peroxisome proliferator activated receptor gamma was determined				J Med Chem 46: 5121-4 (2003) Article DOI: 10.1021/jm034173l BindingDB Entry DOI: 10.7270/Q2D50MB0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50135774 (2-{4-[3-(1-Cyclohexylmethyl-5-oxo-4-propyl-4,5-dih...) Show SMILES CCCn1c(CCCc2ccc(OC(C)(C)C(O)=O)cc2)nn(CC2CCCCC2)c1=O Show InChI InChI=1S/C25H37N3O4/c1-4-17-27-22(26-28(24(27)31)18-20-9-6-5-7-10-20)12-8-11-19-13-15-21(16-14-19)32-25(2,3)23(29)30/h13-16,20H,4-12,17-18H2,1-3H3,(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	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Division of Eli Lilly & Company Curated by ChEMBL					Assay Description Inhibitory activity of compound against the binding of human Peroxisome proliferator activated receptor gamma was determined				J Med Chem 46: 5121-4 (2003) Article DOI: 10.1021/jm034173l BindingDB Entry DOI: 10.7270/Q2D50MB0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490742 (CHEMBL1863462 | DNDI1460901) Show SMILES Fc1cc(Cl)ccc1C(N1CCN(CC1)C(=O)C1CC1)c1cccnc1 Show InChI InChI=1S/C20H21ClFN3O/c21-16-5-6-17(18(22)12-16)19(15-2-1-7-23-13-15)24-8-10-25(11-9-24)20(26)14-3-4-14/h1-2,5-7,12-14,19H,3-4,8-11H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490749 (CHEMBL1862798 | DNDI1434923) Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)S(=O)(=O)c1ccccc1)c1cccnc1 Show InChI InChI=1S/C22H22ClN3O2S/c23-20-10-8-18(9-11-20)22(19-5-4-12-24-17-19)25-13-15-26(16-14-25)29(27,28)21-6-2-1-3-7-21/h1-12,17,22H,13-16H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490743 (CHEMBL1863046 | DNDI1434940) Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(c1cccnc1)c1ccc(Cl)cc1F Show InChI InChI=1S/C21H25ClFN3O2/c1-21(2,3)28-20(27)26-11-9-25(10-12-26)19(15-5-4-8-24-14-15)17-7-6-16(22)13-18(17)23/h4-8,13-14,19H,9-12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50135782 (2-(4-{3-[1-(3-Methoxy-benzyl)-5-oxo-4-propyl-4,5-d...) Show SMILES CCCn1c(CCCc2ccc(OC(C)(C)C(O)=O)cc2)nn(Cc2cccc(OC)c2)c1=O Show InChI InChI=1S/C26H33N3O5/c1-5-16-28-23(27-29(25(28)32)18-20-9-6-10-22(17-20)33-4)11-7-8-19-12-14-21(15-13-19)34-26(2,3)24(30)31/h6,9-10,12-15,17H,5,7-8,11,16,18H2,1-4H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Division of Eli Lilly & Company Curated by ChEMBL					Assay Description Inhibitory activity of compound against the binding of human Peroxisome proliferator activated receptor delta was determined				J Med Chem 46: 5121-4 (2003) Article DOI: 10.1021/jm034173l BindingDB Entry DOI: 10.7270/Q2D50MB0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490753 (CHEMBL1863455 | DNDI1465083) Show SMILES CC(C)(C)C(=O)N1CCN(CC1)C(c1ccc(cc1)C(F)(F)F)c1cccnc1 Show InChI InChI=1S/C22H26F3N3O/c1-21(2,3)20(29)28-13-11-27(12-14-28)19(17-5-4-10-26-15-17)16-6-8-18(9-7-16)22(23,24)25/h4-10,15,19H,11-14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490741 (CHEMBL2334337) Show SMILES Cc1csc(n1)C(=O)N1CCN(CC1)C(c1cccnc1)c1ccc(Cl)cc1F Show InChI InChI=1S/C21H20ClFN4OS/c1-14-13-29-20(25-14)21(28)27-9-7-26(8-10-27)19(15-3-2-6-24-12-15)17-5-4-16(22)11-18(17)23/h2-6,11-13,19H,7-10H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490751 (CHEMBL1863306 | DNDI1434944) Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(c1cncnc1)c1ccc(Cl)cc1F Show InChI InChI=1S/C20H24ClFN4O2/c1-20(2,3)28-19(27)26-8-6-25(7-9-26)18(14-11-23-13-24-12-14)16-5-4-15(21)10-17(16)22/h4-5,10-13,18H,6-9H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490745 (CHEMBL1863273 | DNDI1338491) Show SMILES CS(=O)(=O)N1CCN(CC1)C(c1ccc(Cl)cc1)c1cccnc1 Show InChI InChI=1S/C17H20ClN3O2S/c1-24(22,23)21-11-9-20(10-12-21)17(15-3-2-8-19-13-15)14-4-6-16(18)7-5-14/h2-8,13,17H,9-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50135780 (2-Methyl-2-(4-{3-[1-(4-methyl-benzyl)-5-oxo-4,5-di...) Show SMILES Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(O)=O)cc3)[nH]c2=O)cc1 Show InChI InChI=1S/C23H27N3O4/c1-16-7-9-18(10-8-16)15-26-22(29)24-20(25-26)6-4-5-17-11-13-19(14-12-17)30-23(2,3)21(27)28/h7-14H,4-6,15H2,1-3H3,(H,27,28)(H,24,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Division of Eli Lilly & Company Curated by ChEMBL					Assay Description Inhibitory activity of compound against the binding of human Peroxisome proliferator activated receptor delta was determined				J Med Chem 46: 5121-4 (2003) Article DOI: 10.1021/jm034173l BindingDB Entry DOI: 10.7270/Q2D50MB0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490746 (CHEMBL1863393 | DNDI1388149) Show SMILES Fc1cc(Cl)ccc1C(N1CCN(CC1)C(=O)C1CCCCC1)c1cccnc1 Show InChI InChI=1S/C23H27ClFN3O/c24-19-8-9-20(21(25)15-19)22(18-7-4-10-26-16-18)27-11-13-28(14-12-27)23(29)17-5-2-1-3-6-17/h4,7-10,15-17,22H,1-3,5-6,11-14H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490752 (CHEMBL1862941 | DNDI1551253) Show SMILES CC(C)(C)C(=O)N1CCN(CC1)C(c1cccnc1)c1ccc(cc1F)C(F)(F)F Show InChI InChI=1S/C22H25F4N3O/c1-21(2,3)20(30)29-11-9-28(10-12-29)19(15-5-4-8-27-14-15)17-7-6-16(13-18(17)23)22(24,25)26/h4-8,13-14,19H,9-12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50135779 (2-(4-{3-[4-(2-Hydroxy-ethyl)-1-(4-methyl-benzyl)-5...) Show SMILES Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(O)=O)cc3)n(CCO)c2=O)cc1 Show InChI InChI=1S/C25H31N3O5/c1-18-7-9-20(10-8-18)17-28-24(32)27(15-16-29)22(26-28)6-4-5-19-11-13-21(14-12-19)33-25(2,3)23(30)31/h7-14,29H,4-6,15-17H2,1-3H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Division of Eli Lilly & Company Curated by ChEMBL					Assay Description Inhibitory activity of compound against the binding of human Peroxisome proliferator activated receptor delta was determined				J Med Chem 46: 5121-4 (2003) Article DOI: 10.1021/jm034173l BindingDB Entry DOI: 10.7270/Q2D50MB0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50135775 (2-Methyl-2-(4-{3-[1-(4-methyl-benzyl)-5-oxo-4-prop...) Show SMILES CCCn1c(CCCc2ccc(OC(C)(C)C(O)=O)cc2)nn(Cc2ccc(C)cc2)c1=O Show InChI InChI=1S/C26H33N3O4/c1-5-17-28-23(27-29(25(28)32)18-21-11-9-19(2)10-12-21)8-6-7-20-13-15-22(16-14-20)33-26(3,4)24(30)31/h9-16H,5-8,17-18H2,1-4H3,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Division of Eli Lilly & Company Curated by ChEMBL					Assay Description Inhibitory activity of compound against the binding of human Peroxisome proliferator activated receptor gamma was determined				J Med Chem 46: 5121-4 (2003) Article DOI: 10.1021/jm034173l BindingDB Entry DOI: 10.7270/Q2D50MB0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490738 (CHEMBL1863131 | DNDI1490391) Show SMILES CS(=O)(=O)N1CCN(CC1)C(c1cncnc1)c1ccc(cc1F)C(F)(F)F Show InChI InChI=1S/C17H18F4N4O2S/c1-28(26,27)25-6-4-24(5-7-25)16(12-9-22-11-23-10-12)14-3-2-13(8-15(14)18)17(19,20)21/h2-3,8-11,16H,4-7H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50135781 (2-Methyl-2-(4-{3-[5-oxo-1-(1-phenyl-ethyl)-4-propy...) Show SMILES CCCn1c(CCCc2ccc(OC(C)(C)C(O)=O)cc2)nn(C(C)c2ccccc2)c1=O Show InChI InChI=1S/C26H33N3O4/c1-5-18-28-23(27-29(25(28)32)19(2)21-11-7-6-8-12-21)13-9-10-20-14-16-22(17-15-20)33-26(3,4)24(30)31/h6-8,11-12,14-17,19H,5,9-10,13,18H2,1-4H3,(H,30,31)	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	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Division of Eli Lilly & Company Curated by ChEMBL					Assay Description Inhibitory activity of compound against the binding of human Peroxisome proliferator activated receptor gamma was determined				J Med Chem 46: 5121-4 (2003) Article DOI: 10.1021/jm034173l BindingDB Entry DOI: 10.7270/Q2D50MB0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50135779 (2-(4-{3-[4-(2-Hydroxy-ethyl)-1-(4-methyl-benzyl)-5...) Show SMILES Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(O)=O)cc3)n(CCO)c2=O)cc1 Show InChI InChI=1S/C25H31N3O5/c1-18-7-9-20(10-8-18)17-28-24(32)27(15-16-29)22(26-28)6-4-5-19-11-13-21(14-12-19)33-25(2,3)23(30)31/h7-14,29H,4-6,15-17H2,1-3H3,(H,30,31)	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	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Division of Eli Lilly & Company Curated by ChEMBL					Assay Description Inhibitory activity of compound against the binding of human Peroxisome proliferator activated receptor gamma was determined				J Med Chem 46: 5121-4 (2003) Article DOI: 10.1021/jm034173l BindingDB Entry DOI: 10.7270/Q2D50MB0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50135782 (2-(4-{3-[1-(3-Methoxy-benzyl)-5-oxo-4-propyl-4,5-d...) Show SMILES CCCn1c(CCCc2ccc(OC(C)(C)C(O)=O)cc2)nn(Cc2cccc(OC)c2)c1=O Show InChI InChI=1S/C26H33N3O5/c1-5-16-28-23(27-29(25(28)32)18-20-9-6-10-22(17-20)33-4)11-7-8-19-12-14-21(15-13-19)34-26(2,3)24(30)31/h6,9-10,12-15,17H,5,7-8,11,16,18H2,1-4H3,(H,30,31)	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	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Division of Eli Lilly & Company Curated by ChEMBL					Assay Description Inhibitory activity of compound against the binding of human Peroxisome proliferator activated receptor gamma was determined				J Med Chem 46: 5121-4 (2003) Article DOI: 10.1021/jm034173l BindingDB Entry DOI: 10.7270/Q2D50MB0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50135780 (2-Methyl-2-(4-{3-[1-(4-methyl-benzyl)-5-oxo-4,5-di...) Show SMILES Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(O)=O)cc3)[nH]c2=O)cc1 Show InChI InChI=1S/C23H27N3O4/c1-16-7-9-18(10-8-16)15-26-22(29)24-20(25-26)6-4-5-17-11-13-19(14-12-17)30-23(2,3)21(27)28/h7-14H,4-6,15H2,1-3H3,(H,27,28)(H,24,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Division of Eli Lilly & Company Curated by ChEMBL					Assay Description Inhibitory activity of compound against the binding of human Peroxisome proliferator activated receptor gamma was determined				J Med Chem 46: 5121-4 (2003) Article DOI: 10.1021/jm034173l BindingDB Entry DOI: 10.7270/Q2D50MB0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490747 (CHEMBL1863090 | DNDI1449876) Show SMILES CC(C)(C)NC(=O)N1CCN(CC1)C(c1cncnc1)c1ccc(Cl)cc1F Show InChI InChI=1S/C20H25ClFN5O/c1-20(2,3)25-19(28)27-8-6-26(7-9-27)18(14-11-23-13-24-12-14)16-5-4-15(21)10-17(16)22/h4-5,10-13,18H,6-9H2,1-3H3,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490740 (CHEMBL1862938 | DNDI1467767) Show SMILES CC(C)(C)C(=O)N1CCN(CC1)C(c1cncnc1)c1ccc(Cl)cc1F Show InChI InChI=1S/C20H24ClFN4O/c1-20(2,3)19(27)26-8-6-25(7-9-26)18(14-11-23-13-24-12-14)16-5-4-15(21)10-17(16)22/h4-5,10-13,18H,6-9H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A5 (Homo sapiens (Human))	BDBM50490739 (CHEMBL1862975 | DNDI1335908) Show SMILES CC(=O)N1CCN(CC1)C(c1ccc(Cl)cc1)c1cccnc1 Show InChI InChI=1S/C18H20ClN3O/c1-14(23)21-9-11-22(12-10-21)18(16-3-2-8-20-13-16)15-4-6-17(19)7-5-15/h2-8,13,18H,9-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Epichem Pty Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation				Bioorg Med Chem 21: 1756-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.050 BindingDB Entry DOI: 10.7270/Q2WH2SWS
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50135776 (2-(4-{3-[4-Carboxymethyl-1-(4-methyl-benzyl)-5-oxo...) Show SMILES Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(O)=O)cc3)n(CC(O)=O)c2=O)cc1 Show InChI InChI=1S/C25H29N3O6/c1-17-7-9-19(10-8-17)15-28-24(33)27(16-22(29)30)21(26-28)6-4-5-18-11-13-20(14-12-18)34-25(2,3)23(31)32/h7-14H,4-6,15-16H2,1-3H3,(H,29,30)(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	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Division of Eli Lilly & Company Curated by ChEMBL					Assay Description Inhibitory activity of compound against the binding of human Peroxisome proliferator activated receptor gamma was determined				J Med Chem 46: 5121-4 (2003) Article DOI: 10.1021/jm034173l BindingDB Entry DOI: 10.7270/Q2D50MB0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50266776 (CHEMBL4066553) Show SMILES CC1(COc2ccc(OC(F)(F)F)cc2)CCn2cc(nc2O1)[N+]([O-])=O Show InChI InChI=1S/C15H14F3N3O5/c1-14(6-7-20-8-12(21(22)23)19-13(20)26-14)9-24-10-2-4-11(5-3-10)25-15(16,17)18/h2-5,8H,6-7,9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 in human liver microsome using testosterone as substrate				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112849 BindingDB Entry DOI: 10.7270/Q2J67MMT
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50556552 (CHEMBL583256) Show SMILES [O-][N+](=O)c1cn2C[C@@H](COc2n1)OCc1ccc(cc1)-c1ccc(cc1Cl)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 in human liver microsome using testosterone as substrate				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112849 BindingDB Entry DOI: 10.7270/Q2J67MMT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM28700 (2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...) Show SMILES CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C(O)=O Show InChI InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Division of Eli Lilly & Company Curated by ChEMBL					Assay Description Inhibitory activity against human Peroxisome proliferator activated receptor alpha				J Med Chem 46: 5121-4 (2003) Article DOI: 10.1021/jm034173l BindingDB Entry DOI: 10.7270/Q2D50MB0
					More data for this Ligand-Target Pair				3D Structure (crystal)

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