Compile Data Set for Download or QSAR

Found 108 hits Enz. Inhib. hit(s) with all data for entry = 50038141   

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))	BDBM50372118 (CHEMBL255389) Show SMILES Cc1oc(nc1CCOc1cccc(C[C@H]2[C@H](N(C2=O)c2ccc(cc2)C(C)(C)C)C(O)=O)c1)-c1ccccc1 Show InChI InChI=1S/C33H34N2O5/c1-21-28(34-30(40-21)23-10-6-5-7-11-23)17-18-39-26-12-8-9-22(19-26)20-27-29(32(37)38)35(31(27)36)25-15-13-24(14-16-25)33(2,3)4/h5-16,19,27,29H,17-18,20H2,1-4H3,(H,37,38)/t27-,29-/m0/s1	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	40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of PPARgamma				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50372105 (CHEMBL411118) Show SMILES COc1ccc(cc1)N1[C@@H]([C@H](Cc2ccc(OCCc3nc(oc3C)-c3ccccc3)cc2)C1=O)C(O)=O Show InChI InChI=1S/C30H28N2O6/c1-19-26(31-28(38-19)21-6-4-3-5-7-21)16-17-37-24-12-8-20(9-13-24)18-25-27(30(34)35)32(29(25)33)22-10-14-23(36-2)15-11-22/h3-15,25,27H,16-18H2,1-2H3,(H,34,35)/t25-,27-/m0/s1	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	40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of PPARgamma				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM28681 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...) Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1 Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of PPARgamma				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50372118 (CHEMBL255389) Show SMILES Cc1oc(nc1CCOc1cccc(C[C@H]2[C@H](N(C2=O)c2ccc(cc2)C(C)(C)C)C(O)=O)c1)-c1ccccc1 Show InChI InChI=1S/C33H34N2O5/c1-21-28(34-30(40-21)23-10-6-5-7-11-23)17-18-39-26-12-8-9-22(19-26)20-27-29(32(37)38)35(31(27)36)25-15-13-24(14-16-25)33(2,3)4/h5-16,19,27,29H,17-18,20H2,1-4H3,(H,37,38)/t27-,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of PPARalpha				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50372107 (CHEMBL271240) Show SMILES COc1ccc(cc1)N1[C@@H]([C@H](Cc2cccc(OCCc3nc(oc3C)-c3ccccc3)c2)C1=O)C(O)=O |r| Show InChI InChI=1S/C30H28N2O6/c1-19-26(31-28(38-19)21-8-4-3-5-9-21)15-16-37-24-10-6-7-20(17-24)18-25-27(30(34)35)32(29(25)33)22-11-13-23(36-2)14-12-22/h3-14,17,25,27H,15-16,18H2,1-2H3,(H,34,35)/t25-,27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of PPARgamma				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50372116 (CHEMBL256468) Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H]2[C@H](N(C2=O)c2ccc(cc2)C(C)(C)C)C(O)=O)cc1)-c1ccccc1 Show InChI InChI=1S/C33H34N2O5/c1-21-28(34-30(40-21)23-8-6-5-7-9-23)18-19-39-26-16-10-22(11-17-26)20-27-29(32(37)38)35(31(27)36)25-14-12-24(13-15-25)33(2,3)4/h5-17,27,29H,18-20H2,1-4H3,(H,37,38)/t27-,29-/m0/s1	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	110	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of PPARgamma				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50372114 (CHEMBL404646) Show SMILES COc1cccc(c1)-c1nc(CCOc2cccc(C[C@H]3[C@H](N(C3=O)c3ccc(cc3)C(C)(C)C)C(O)=O)c2)c(C)o1 Show InChI InChI=1S/C34H36N2O6/c1-21-29(35-31(42-21)23-9-7-10-26(20-23)40-5)16-17-41-27-11-6-8-22(18-27)19-28-30(33(38)39)36(32(28)37)25-14-12-24(13-15-25)34(2,3)4/h6-15,18,20,28,30H,16-17,19H2,1-5H3,(H,38,39)/t28-,30-/m0/s1	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	110	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of PPARgamma				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50372106 (CHEMBL257891) Show SMILES COc1ccc(cc1)N1[C@H]([C@@H](Cc2cccc(OCCc3nc(oc3C)-c3ccccc3)c2)C1=O)C(O)=O Show InChI InChI=1S/C30H28N2O6/c1-19-26(31-28(38-19)21-8-4-3-5-9-21)15-16-37-24-10-6-7-20(17-24)18-25-27(30(34)35)32(29(25)33)22-11-13-23(36-2)14-12-22/h3-14,17,25,27H,15-16,18H2,1-2H3,(H,34,35)/t25-,27-/m1/s1	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	160	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of PPARgamma				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50372110 (CHEMBL271739) Show SMILES Cc1oc(nc1CCOc1cccc(CC2C(N(C2=O)c2ccc(F)cc2)C(O)=O)c1)-c1ccccc1 |w:16.29,15.15| Show InChI InChI=1S/C29H25FN2O5/c1-18-25(31-27(37-18)20-7-3-2-4-8-20)14-15-36-23-9-5-6-19(16-23)17-24-26(29(34)35)32(28(24)33)22-12-10-21(30)11-13-22/h2-13,16,24,26H,14-15,17H2,1H3,(H,34,35)	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	180	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of PPARgamma				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50372112 (CHEMBL257517) Show SMILES COc1ccc(cc1)-c1nc(CCOc2cccc(C[C@H]3[C@H](N(C3=O)c3ccc(cc3)C(C)(C)C)C(O)=O)c2)c(C)o1 Show InChI InChI=1S/C34H36N2O6/c1-21-29(35-31(42-21)23-9-15-26(40-5)16-10-23)17-18-41-27-8-6-7-22(19-27)20-28-30(33(38)39)36(32(28)37)25-13-11-24(12-14-25)34(2,3)4/h6-16,19,28,30H,17-18,20H2,1-5H3,(H,38,39)/t28-,30-/m0/s1	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	220	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of PPARgamma				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50372118 (CHEMBL255389) Show SMILES Cc1oc(nc1CCOc1cccc(C[C@H]2[C@H](N(C2=O)c2ccc(cc2)C(C)(C)C)C(O)=O)c1)-c1ccccc1 Show InChI InChI=1S/C33H34N2O5/c1-21-28(34-30(40-21)23-10-6-5-7-11-23)17-18-39-26-12-8-9-22(19-26)20-27-29(32(37)38)35(31(27)36)25-15-13-24(14-16-25)33(2,3)4/h5-16,19,27,29H,17-18,20H2,1-4H3,(H,37,38)/t27-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50372108 (CHEMBL272962) Show SMILES COc1ccc(cn1)N1C(C(Cc2cccc(OCCc3nc(oc3C)-c3ccccc3)c2)C1=O)C(O)=O |w:9.39,10.11| Show InChI InChI=1S/C29H27N3O6/c1-18-24(31-27(38-18)20-8-4-3-5-9-20)13-14-37-22-10-6-7-19(15-22)16-23-26(29(34)35)32(28(23)33)21-11-12-25(36-2)30-17-21/h3-12,15,17,23,26H,13-14,16H2,1-2H3,(H,34,35)	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	230	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of PPARgamma				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50372113 (CHEMBL429734) Show SMILES Cc1oc(nc1CCOc1cccc(C[C@H]2[C@H](N(C2=O)c2ccc(cc2)C(C)(C)C)C(O)=O)c1)-c1cccc(Cl)c1 Show InChI InChI=1S/C33H33ClN2O5/c1-20-28(35-30(41-20)22-8-6-9-24(34)19-22)15-16-40-26-10-5-7-21(17-26)18-27-29(32(38)39)36(31(27)37)25-13-11-23(12-14-25)33(2,3)4/h5-14,17,19,27,29H,15-16,18H2,1-4H3,(H,38,39)/t27-,29-/m0/s1	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	250	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of PPARgamma				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50372107 (CHEMBL271240) Show SMILES COc1ccc(cc1)N1[C@@H]([C@H](Cc2cccc(OCCc3nc(oc3C)-c3ccccc3)c2)C1=O)C(O)=O |r| Show InChI InChI=1S/C30H28N2O6/c1-19-26(31-28(38-19)21-8-4-3-5-9-21)15-16-37-24-10-6-7-20(17-24)18-25-27(30(34)35)32(29(25)33)22-11-13-23(36-2)14-12-22/h3-14,17,25,27H,15-16,18H2,1-2H3,(H,34,35)/t25-,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of PPARalpha				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50372109 (CHEMBL255388) Show SMILES Cc1oc(nc1CCOc1cccc(CC2C(N(C2=O)c2ccc(Cl)cc2)C(O)=O)c1)-c1ccccc1 |w:16.29,15.15| Show InChI InChI=1S/C29H25ClN2O5/c1-18-25(31-27(37-18)20-7-3-2-4-8-20)14-15-36-23-9-5-6-19(16-23)17-24-26(29(34)35)32(28(24)33)22-12-10-21(30)11-13-22/h2-13,16,24,26H,14-15,17H2,1H3,(H,34,35)	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	360	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of PPARgamma				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50372111 (CHEMBL272336) Show SMILES Cc1oc(nc1CCOc1cccc(C[C@H]2[C@H](N(C2=O)c2ccc(cc2)C(C)(C)C)C(O)=O)c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C33H33ClN2O5/c1-20-28(35-30(41-20)22-8-12-24(34)13-9-22)16-17-40-26-7-5-6-21(18-26)19-27-29(32(38)39)36(31(27)37)25-14-10-23(11-15-25)33(2,3)4/h5-15,18,27,29H,16-17,19H2,1-4H3,(H,38,39)/t27-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50372112 (CHEMBL257517) Show SMILES COc1ccc(cc1)-c1nc(CCOc2cccc(C[C@H]3[C@H](N(C3=O)c3ccc(cc3)C(C)(C)C)C(O)=O)c2)c(C)o1 Show InChI InChI=1S/C34H36N2O6/c1-21-29(35-31(42-21)23-9-15-26(40-5)16-10-23)17-18-41-27-8-6-7-22(19-27)20-28-30(33(38)39)36(32(28)37)25-13-11-24(12-14-25)34(2,3)4/h6-16,19,28,30H,17-18,20H2,1-5H3,(H,38,39)/t28-,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of PPARalpha				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50372111 (CHEMBL272336) Show SMILES Cc1oc(nc1CCOc1cccc(C[C@H]2[C@H](N(C2=O)c2ccc(cc2)C(C)(C)C)C(O)=O)c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C33H33ClN2O5/c1-20-28(35-30(41-20)22-8-12-24(34)13-9-22)16-17-40-26-7-5-6-21(18-26)19-27-29(32(38)39)36(31(27)37)25-14-10-23(11-15-25)33(2,3)4/h5-15,18,27,29H,16-17,19H2,1-4H3,(H,38,39)/t27-,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of PPARalpha				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50372114 (CHEMBL404646) Show SMILES COc1cccc(c1)-c1nc(CCOc2cccc(C[C@H]3[C@H](N(C3=O)c3ccc(cc3)C(C)(C)C)C(O)=O)c2)c(C)o1 Show InChI InChI=1S/C34H36N2O6/c1-21-29(35-31(42-21)23-9-7-10-26(20-23)40-5)16-17-41-27-11-6-8-22(18-27)19-28-30(33(38)39)36(32(28)37)25-14-12-24(13-15-25)34(2,3)4/h6-15,18,20,28,30H,16-17,19H2,1-5H3,(H,38,39)/t28-,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of PPARalpha				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50372112 (CHEMBL257517) Show SMILES COc1ccc(cc1)-c1nc(CCOc2cccc(C[C@H]3[C@H](N(C3=O)c3ccc(cc3)C(C)(C)C)C(O)=O)c2)c(C)o1 Show InChI InChI=1S/C34H36N2O6/c1-21-29(35-31(42-21)23-9-15-26(40-5)16-10-23)17-18-41-27-8-6-7-22(19-27)20-28-30(33(38)39)36(32(28)37)25-13-11-24(12-14-25)34(2,3)4/h6-16,19,28,30H,17-18,20H2,1-5H3,(H,38,39)/t28-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50372119 (CHEMBL271241) Show SMILES CCCCCCCN(CCc1ccc(O[C@](C)(CC)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C27H36F2N2O4/c1-4-6-7-8-9-17-31(26(34)30-24-15-12-21(28)19-23(24)29)18-16-20-10-13-22(14-11-20)35-27(3,5-2)25(32)33/h10-15,19H,4-9,16-18H2,1-3H3,(H,30,34)(H,32,33)/t27-/m1/s1	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	600	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of PPARgamma				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50372114 (CHEMBL404646) Show SMILES COc1cccc(c1)-c1nc(CCOc2cccc(C[C@H]3[C@H](N(C3=O)c3ccc(cc3)C(C)(C)C)C(O)=O)c2)c(C)o1 Show InChI InChI=1S/C34H36N2O6/c1-21-29(35-31(42-21)23-9-7-10-26(20-23)40-5)16-17-41-27-11-6-8-22(18-27)19-28-30(33(38)39)36(32(28)37)25-14-12-24(13-15-25)34(2,3)4/h6-15,18,20,28,30H,16-17,19H2,1-5H3,(H,38,39)/t28-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50372117 (CHEMBL272963) Show SMILES Cc1oc(nc1CCOc1cccc(C[C@@H]2[C@@H](N(C2=O)c2ccc(cc2)C(C)(C)C)C(O)=O)c1)-c1ccccc1 Show InChI InChI=1S/C33H34N2O5/c1-21-28(34-30(40-21)23-10-6-5-7-11-23)17-18-39-26-12-8-9-22(19-26)20-27-29(32(37)38)35(31(27)36)25-15-13-24(14-16-25)33(2,3)4/h5-16,19,27,29H,17-18,20H2,1-4H3,(H,37,38)/t27-,29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50372111 (CHEMBL272336) Show SMILES Cc1oc(nc1CCOc1cccc(C[C@H]2[C@H](N(C2=O)c2ccc(cc2)C(C)(C)C)C(O)=O)c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C33H33ClN2O5/c1-20-28(35-30(41-20)22-8-12-24(34)13-9-22)16-17-40-26-7-5-6-21(18-26)19-27-29(32(38)39)36(31(27)37)25-14-10-23(11-15-25)33(2,3)4/h5-15,18,27,29H,16-17,19H2,1-4H3,(H,38,39)/t27-,29-/m0/s1	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	670	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of PPARgamma				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50372113 (CHEMBL429734) Show SMILES Cc1oc(nc1CCOc1cccc(C[C@H]2[C@H](N(C2=O)c2ccc(cc2)C(C)(C)C)C(O)=O)c1)-c1cccc(Cl)c1 Show InChI InChI=1S/C33H33ClN2O5/c1-20-28(35-30(41-20)22-8-6-9-24(34)19-22)15-16-40-26-10-5-7-21(17-26)18-27-29(32(38)39)36(31(27)37)25-13-11-23(12-14-25)33(2,3)4/h5-14,17,19,27,29H,15-16,18H2,1-4H3,(H,38,39)/t27-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50372106 (CHEMBL257891) Show SMILES COc1ccc(cc1)N1[C@H]([C@@H](Cc2cccc(OCCc3nc(oc3C)-c3ccccc3)c2)C1=O)C(O)=O Show InChI InChI=1S/C30H28N2O6/c1-19-26(31-28(38-19)21-8-4-3-5-9-21)15-16-37-24-10-6-7-20(17-24)18-25-27(30(34)35)32(29(25)33)22-11-13-23(36-2)14-12-22/h3-14,17,25,27H,15-16,18H2,1-2H3,(H,34,35)/t25-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of PPARalpha				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50372105 (CHEMBL411118) Show SMILES COc1ccc(cc1)N1[C@@H]([C@H](Cc2ccc(OCCc3nc(oc3C)-c3ccccc3)cc2)C1=O)C(O)=O Show InChI InChI=1S/C30H28N2O6/c1-19-26(31-28(38-19)21-6-4-3-5-7-21)16-17-37-24-12-8-20(9-13-24)18-25-27(30(34)35)32(29(25)33)22-10-14-23(36-2)15-11-22/h3-15,25,27H,16-18H2,1-2H3,(H,34,35)/t25-,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of PPARalpha				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50372119 (CHEMBL271241) Show SMILES CCCCCCCN(CCc1ccc(O[C@](C)(CC)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C27H36F2N2O4/c1-4-6-7-8-9-17-31(26(34)30-24-15-12-21(28)19-23(24)29)18-16-20-10-13-22(14-11-20)35-27(3,5-2)25(32)33/h10-15,19H,4-9,16-18H2,1-3H3,(H,30,34)(H,32,33)/t27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of PPARalpha				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50372116 (CHEMBL256468) Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H]2[C@H](N(C2=O)c2ccc(cc2)C(C)(C)C)C(O)=O)cc1)-c1ccccc1 Show InChI InChI=1S/C33H34N2O5/c1-21-28(34-30(40-21)23-8-6-5-7-9-23)18-19-39-26-16-10-22(11-17-26)20-27-29(32(37)38)35(31(27)36)25-14-12-24(13-15-25)33(2,3)4/h5-17,27,29H,18-20H2,1-4H3,(H,37,38)/t27-,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of PPARalpha				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50372117 (CHEMBL272963) Show SMILES Cc1oc(nc1CCOc1cccc(C[C@@H]2[C@@H](N(C2=O)c2ccc(cc2)C(C)(C)C)C(O)=O)c1)-c1ccccc1 Show InChI InChI=1S/C33H34N2O5/c1-21-28(34-30(40-21)23-10-6-5-7-11-23)17-18-39-26-12-8-9-22(19-26)20-27-29(32(37)38)35(31(27)36)25-15-13-24(14-16-25)33(2,3)4/h5-16,19,27,29H,17-18,20H2,1-4H3,(H,37,38)/t27-,29-/m1/s1	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	800	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of PPARgamma				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50372107 (CHEMBL271240) Show SMILES COc1ccc(cc1)N1[C@@H]([C@H](Cc2cccc(OCCc3nc(oc3C)-c3ccccc3)c2)C1=O)C(O)=O |r| Show InChI InChI=1S/C30H28N2O6/c1-19-26(31-28(38-19)21-8-4-3-5-9-21)15-16-37-24-10-6-7-20(17-24)18-25-27(30(34)35)32(29(25)33)22-11-13-23(36-2)14-12-22/h3-14,17,25,27H,15-16,18H2,1-2H3,(H,34,35)/t25-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in presence of 7-benzyloxyresorufin substrate				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50372113 (CHEMBL429734) Show SMILES Cc1oc(nc1CCOc1cccc(C[C@H]2[C@H](N(C2=O)c2ccc(cc2)C(C)(C)C)C(O)=O)c1)-c1cccc(Cl)c1 Show InChI InChI=1S/C33H33ClN2O5/c1-20-28(35-30(41-20)22-8-6-9-24(34)19-22)15-16-40-26-10-5-7-21(17-26)18-27-29(32(38)39)36(31(27)37)25-13-11-23(12-14-25)33(2,3)4/h5-14,17,19,27,29H,15-16,18H2,1-4H3,(H,38,39)/t27-,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of PPARalpha				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50372106 (CHEMBL257891) Show SMILES COc1ccc(cc1)N1[C@H]([C@@H](Cc2cccc(OCCc3nc(oc3C)-c3ccccc3)c2)C1=O)C(O)=O Show InChI InChI=1S/C30H28N2O6/c1-19-26(31-28(38-19)21-8-4-3-5-9-21)15-16-37-24-10-6-7-20(17-24)18-25-27(30(34)35)32(29(25)33)22-11-13-23(36-2)14-12-22/h3-14,17,25,27H,15-16,18H2,1-2H3,(H,34,35)/t25-,27-/m1/s1	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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of PPARgamma				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50372108 (CHEMBL272962) Show SMILES COc1ccc(cn1)N1C(C(Cc2cccc(OCCc3nc(oc3C)-c3ccccc3)c2)C1=O)C(O)=O |w:9.39,10.11| Show InChI InChI=1S/C29H27N3O6/c1-18-24(31-27(38-18)20-8-4-3-5-9-20)13-14-37-22-10-6-7-19(15-22)16-23-26(29(34)35)32(28(23)33)21-11-12-25(36-2)30-17-21/h3-12,15,17,23,26H,13-14,16H2,1-2H3,(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of PPARalpha				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50372111 (CHEMBL272336) Show SMILES Cc1oc(nc1CCOc1cccc(C[C@H]2[C@H](N(C2=O)c2ccc(cc2)C(C)(C)C)C(O)=O)c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C33H33ClN2O5/c1-20-28(35-30(41-20)22-8-12-24(34)13-9-22)16-17-40-26-7-5-6-21(18-26)19-27-29(32(38)39)36(31(27)37)25-14-10-23(11-15-25)33(2,3)4/h5-15,18,27,29H,16-17,19H2,1-4H3,(H,38,39)/t27-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human ERG by FLIPR assay				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50372109 (CHEMBL255388) Show SMILES Cc1oc(nc1CCOc1cccc(CC2C(N(C2=O)c2ccc(Cl)cc2)C(O)=O)c1)-c1ccccc1 |w:16.29,15.15| Show InChI InChI=1S/C29H25ClN2O5/c1-18-25(31-27(37-18)20-7-3-2-4-8-20)14-15-36-23-9-5-6-19(16-23)17-24-26(29(34)35)32(28(24)33)22-12-10-21(30)11-13-22/h2-13,16,24,26H,14-15,17H2,1H3,(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of PPARalpha				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50372113 (CHEMBL429734) Show SMILES Cc1oc(nc1CCOc1cccc(C[C@H]2[C@H](N(C2=O)c2ccc(cc2)C(C)(C)C)C(O)=O)c1)-c1cccc(Cl)c1 Show InChI InChI=1S/C33H33ClN2O5/c1-20-28(35-30(41-20)22-8-6-9-24(34)19-22)15-16-40-26-10-5-7-21(17-26)18-27-29(32(38)39)36(31(27)37)25-13-11-23(12-14-25)33(2,3)4/h5-14,17,19,27,29H,15-16,18H2,1-4H3,(H,38,39)/t27-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human ERG by FLIPR assay				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50372114 (CHEMBL404646) Show SMILES COc1cccc(c1)-c1nc(CCOc2cccc(C[C@H]3[C@H](N(C3=O)c3ccc(cc3)C(C)(C)C)C(O)=O)c2)c(C)o1 Show InChI InChI=1S/C34H36N2O6/c1-21-29(35-31(42-21)23-9-7-10-26(20-23)40-5)16-17-41-27-11-6-8-22(18-27)19-28-30(33(38)39)36(32(28)37)25-14-12-24(13-15-25)34(2,3)4/h6-15,18,20,28,30H,16-17,19H2,1-5H3,(H,38,39)/t28-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human ERG by FLIPR assay				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50372107 (CHEMBL271240) Show SMILES COc1ccc(cc1)N1[C@@H]([C@H](Cc2cccc(OCCc3nc(oc3C)-c3ccccc3)c2)C1=O)C(O)=O |r| Show InChI InChI=1S/C30H28N2O6/c1-19-26(31-28(38-19)21-8-4-3-5-9-21)15-16-37-24-10-6-7-20(17-24)18-25-27(30(34)35)32(29(25)33)22-11-13-23(36-2)14-12-22/h3-14,17,25,27H,15-16,18H2,1-2H3,(H,34,35)/t25-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50372116 (CHEMBL256468) Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H]2[C@H](N(C2=O)c2ccc(cc2)C(C)(C)C)C(O)=O)cc1)-c1ccccc1 Show InChI InChI=1S/C33H34N2O5/c1-21-28(34-30(40-21)23-8-6-5-7-9-23)18-19-39-26-16-10-22(11-17-26)20-27-29(32(37)38)35(31(27)36)25-14-12-24(13-15-25)33(2,3)4/h5-17,27,29H,18-20H2,1-4H3,(H,37,38)/t27-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50372110 (CHEMBL271739) Show SMILES Cc1oc(nc1CCOc1cccc(CC2C(N(C2=O)c2ccc(F)cc2)C(O)=O)c1)-c1ccccc1 |w:16.29,15.15| Show InChI InChI=1S/C29H25FN2O5/c1-18-25(31-27(37-18)20-7-3-2-4-8-20)14-15-36-23-9-5-6-19(16-23)17-24-26(29(34)35)32(28(24)33)22-12-10-21(30)11-13-22/h2-13,16,24,26H,14-15,17H2,1H3,(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of PPARalpha				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50372111 (CHEMBL272336) Show SMILES Cc1oc(nc1CCOc1cccc(C[C@H]2[C@H](N(C2=O)c2ccc(cc2)C(C)(C)C)C(O)=O)c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C33H33ClN2O5/c1-20-28(35-30(41-20)22-8-12-24(34)13-9-22)16-17-40-26-7-5-6-21(18-26)19-27-29(32(38)39)36(31(27)37)25-14-10-23(11-15-25)33(2,3)4/h5-15,18,27,29H,16-17,19H2,1-4H3,(H,38,39)/t27-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2C19				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50372115 (CHEMBL404451) Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H]2[C@@H](N(C2=O)c2ccc(cc2)C(C)(C)C)C(O)=O)cc1)-c1ccccc1 Show InChI InChI=1S/C33H34N2O5/c1-21-28(34-30(40-21)23-8-6-5-7-9-23)18-19-39-26-16-10-22(11-17-26)20-27-29(32(37)38)35(31(27)36)25-14-12-24(13-15-25)33(2,3)4/h5-17,27,29H,18-20H2,1-4H3,(H,37,38)/t27-,29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50372112 (CHEMBL257517) Show SMILES COc1ccc(cc1)-c1nc(CCOc2cccc(C[C@H]3[C@H](N(C3=O)c3ccc(cc3)C(C)(C)C)C(O)=O)c2)c(C)o1 Show InChI InChI=1S/C34H36N2O6/c1-21-29(35-31(42-21)23-9-15-26(40-5)16-10-23)17-18-41-27-8-6-7-22(19-27)20-28-30(33(38)39)36(32(28)37)25-13-11-24(12-14-25)34(2,3)4/h6-16,19,28,30H,17-18,20H2,1-5H3,(H,38,39)/t28-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human ERG by FLIPR assay				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50372120 (CHEMBL272774) Show SMILES COc1ccc(cc1)N1[C@H]([C@@H](Cc2ccc(OCCc3nc(oc3C)-c3ccccc3)cc2)C1=O)C(O)=O Show InChI InChI=1S/C30H28N2O6/c1-19-26(31-28(38-19)21-6-4-3-5-7-21)16-17-37-24-12-8-20(9-13-24)18-25-27(30(34)35)32(29(25)33)22-10-14-23(36-2)15-11-22/h3-15,25,27H,16-18H2,1-2H3,(H,34,35)/t25-,27-/m1/s1	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	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of PPARgamma				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50372115 (CHEMBL404451) Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H]2[C@@H](N(C2=O)c2ccc(cc2)C(C)(C)C)C(O)=O)cc1)-c1ccccc1 Show InChI InChI=1S/C33H34N2O5/c1-21-28(34-30(40-21)23-8-6-5-7-9-23)18-19-39-26-16-10-22(11-17-26)20-27-29(32(37)38)35(31(27)36)25-14-12-24(13-15-25)33(2,3)4/h5-17,27,29H,18-20H2,1-4H3,(H,37,38)/t27-,29-/m1/s1	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	4.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of PPARgamma				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50372111 (CHEMBL272336) Show SMILES Cc1oc(nc1CCOc1cccc(C[C@H]2[C@H](N(C2=O)c2ccc(cc2)C(C)(C)C)C(O)=O)c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C33H33ClN2O5/c1-20-28(35-30(41-20)22-8-12-24(34)13-9-22)16-17-40-26-7-5-6-21(18-26)19-27-29(32(38)39)36(31(27)37)25-14-10-23(11-15-25)33(2,3)4/h5-15,18,27,29H,16-17,19H2,1-4H3,(H,38,39)/t27-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in presence of 7-benzyloxy-4-trifluoromethyl coumarin substrate				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50372113 (CHEMBL429734) Show SMILES Cc1oc(nc1CCOc1cccc(C[C@H]2[C@H](N(C2=O)c2ccc(cc2)C(C)(C)C)C(O)=O)c1)-c1cccc(Cl)c1 Show InChI InChI=1S/C33H33ClN2O5/c1-20-28(35-30(41-20)22-8-6-9-24(34)19-22)15-16-40-26-10-5-7-21(17-26)18-27-29(32(38)39)36(31(27)37)25-13-11-23(12-14-25)33(2,3)4/h5-14,17,19,27,29H,15-16,18H2,1-4H3,(H,38,39)/t27-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2C19				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50372118 (CHEMBL255389) Show SMILES Cc1oc(nc1CCOc1cccc(C[C@H]2[C@H](N(C2=O)c2ccc(cc2)C(C)(C)C)C(O)=O)c1)-c1ccccc1 Show InChI InChI=1S/C33H34N2O5/c1-21-28(34-30(40-21)23-10-6-5-7-11-23)17-18-39-26-12-8-9-22(19-26)20-27-29(32(37)38)35(31(27)36)25-15-13-24(14-16-25)33(2,3)4/h5-16,19,27,29H,17-18,20H2,1-4H3,(H,37,38)/t27-,29-/m0/s1	PDB MMDB 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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human ERG by FLIPR assay				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50372114 (CHEMBL404646) Show SMILES COc1cccc(c1)-c1nc(CCOc2cccc(C[C@H]3[C@H](N(C3=O)c3ccc(cc3)C(C)(C)C)C(O)=O)c2)c(C)o1 Show InChI InChI=1S/C34H36N2O6/c1-21-29(35-31(42-21)23-9-7-10-26(20-23)40-5)16-17-41-27-11-6-8-22(18-27)19-28-30(33(38)39)36(32(28)37)25-14-12-24(13-15-25)34(2,3)4/h6-15,18,20,28,30H,16-17,19H2,1-5H3,(H,38,39)/t28-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2C19				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 108 total )  |  Next  |  Last  >>

Jump to: