Compile Data Set for Download or QSAR

Found 528 hits with Last Name = 'carlson' and Initial = 'tj'   

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))	BDBM50194976 ((S)-2-((6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)...) Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@]2(CCCO2)C(O)=O)cn1)-c1ccccc1 Show InChI InChI=1S/C23H24N2O5/c1-16-19(25-21(30-16)18-6-3-2-4-7-18)10-13-28-20-9-8-17(15-24-20)14-23(22(26)27)11-5-12-29-23/h2-4,6-9,15H,5,10-14H2,1H3,(H,26,27)/t23-/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	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay				Bioorg Med Chem Lett 16: 6120-3 (2006) Article DOI: 10.1016/j.bmcl.2006.08.110 BindingDB Entry DOI: 10.7270/Q20Z72XV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50194957 (2-((6-(2-(2-(3-methoxyphenyl)-5-methyloxazol-4-yl)...) Show SMILES COc1cccc(c1)-c1nc(CCOc2ccc(CC3(CCCO3)C(O)=O)cn2)c(C)o1 Show InChI InChI=1S/C24H26N2O6/c1-16-20(26-22(32-16)18-5-3-6-19(13-18)29-2)9-12-30-21-8-7-17(15-25-21)14-24(23(27)28)10-4-11-31-24/h3,5-8,13,15H,4,9-12,14H2,1-2H3,(H,27,28)	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	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay				Bioorg Med Chem Lett 16: 6120-3 (2006) Article DOI: 10.1016/j.bmcl.2006.08.110 BindingDB Entry DOI: 10.7270/Q20Z72XV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50194955 (2-((6-(2-(2-(3-chlorophenyl)-5-methyloxazol-4-yl)e...) Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)cn1)-c1cccc(Cl)c1 Show InChI InChI=1S/C23H23ClN2O5/c1-15-19(26-21(31-15)17-4-2-5-18(24)12-17)8-11-29-20-7-6-16(14-25-20)13-23(22(27)28)9-3-10-30-23/h2,4-7,12,14H,3,8-11,13H2,1H3,(H,27,28)	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	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay				Bioorg Med Chem Lett 16: 6120-3 (2006) Article DOI: 10.1016/j.bmcl.2006.08.110 BindingDB Entry DOI: 10.7270/Q20Z72XV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50194971 (2-((6-(2-(5-methyl-2-(3-(trifluoromethyl)phenyl)ox...) Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)cn1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H23F3N2O5/c1-15-19(29-21(34-15)17-4-2-5-18(12-17)24(25,26)27)8-11-32-20-7-6-16(14-28-20)13-23(22(30)31)9-3-10-33-23/h2,4-7,12,14H,3,8-11,13H2,1H3,(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	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay				Bioorg Med Chem Lett 16: 6120-3 (2006) Article DOI: 10.1016/j.bmcl.2006.08.110 BindingDB Entry DOI: 10.7270/Q20Z72XV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50194968 (3-(6-(4-(3-chlorophenoxy)-2-methylphenethoxy)pyrid...) Show SMILES COC(Cc1ccc(OCCc2ccc(Oc3cccc(Cl)c3)cc2C)nc1)C(O)=O Show InChI InChI=1S/C24H24ClNO5/c1-16-12-21(31-20-5-3-4-19(25)14-20)8-7-18(16)10-11-30-23-9-6-17(15-26-23)13-22(29-2)24(27)28/h3-9,12,14-15,22H,10-11,13H2,1-2H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay				Bioorg Med Chem Lett 16: 6120-3 (2006) Article DOI: 10.1016/j.bmcl.2006.08.110 BindingDB Entry DOI: 10.7270/Q20Z72XV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50194961 (2-((6-(2-(5-methyl-2-m-tolyloxazol-4-yl)ethoxy)pyr...) Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)cn1)-c1cccc(C)c1 Show InChI InChI=1S/C24H26N2O5/c1-16-5-3-6-19(13-16)22-26-20(17(2)31-22)9-12-29-21-8-7-18(15-25-21)14-24(23(27)28)10-4-11-30-24/h3,5-8,13,15H,4,9-12,14H2,1-2H3,(H,27,28)	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	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay				Bioorg Med Chem Lett 16: 6120-3 (2006) Article DOI: 10.1016/j.bmcl.2006.08.110 BindingDB Entry DOI: 10.7270/Q20Z72XV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50194950 (2-((6-(2-(2-(4-methoxyphenyl)-5-methyloxazol-4-yl)...) Show SMILES COc1ccc(cc1)-c1nc(CCOc2ccc(CC3(CCCO3)C(O)=O)cn2)c(C)o1 Show InChI InChI=1S/C24H26N2O6/c1-16-20(26-22(32-16)18-5-7-19(29-2)8-6-18)10-13-30-21-9-4-17(15-25-21)14-24(23(27)28)11-3-12-31-24/h4-9,15H,3,10-14H2,1-2H3,(H,27,28)	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	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay				Bioorg Med Chem Lett 16: 6120-3 (2006) Article DOI: 10.1016/j.bmcl.2006.08.110 BindingDB Entry DOI: 10.7270/Q20Z72XV
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50158460 ((3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran...) Show SMILES CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 Show InChI InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington State University Curated by ChEMBL					Assay Description Inhibition of CYP2C9				J Med Chem 51: 648-54 (2008) Article DOI: 10.1021/jm701130z BindingDB Entry DOI: 10.7270/Q2M32VH2
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50195074 (2-((5-(2-(2-(3-methoxyphenyl)-5-methyloxazol-4-yl)...) Show SMILES COc1cccc(c1)-c1nc(CCOc2ccc(CC3(CCCO3)C(O)=O)nc2)c(C)o1 Show InChI InChI=1S/C24H26N2O6/c1-16-21(26-22(32-16)17-5-3-6-19(13-17)29-2)9-12-30-20-8-7-18(25-15-20)14-24(23(27)28)10-4-11-31-24/h3,5-8,13,15H,4,9-12,14H2,1-2H3,(H,27,28)	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	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Displacement of radiolabeled darglitazone from human PPAR gamma by SPA assay				Bioorg Med Chem Lett 16: 6116-9 (2006) Article DOI: 10.1016/j.bmcl.2006.08.105 BindingDB Entry DOI: 10.7270/Q2H131P4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50194974 (2-((6-(2-(5-methyl-2-p-tolyloxazol-4-yl)ethoxy)pyr...) Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)cn1)-c1ccc(C)cc1 Show InChI InChI=1S/C24H26N2O5/c1-16-4-7-19(8-5-16)22-26-20(17(2)31-22)10-13-29-21-9-6-18(15-25-21)14-24(23(27)28)11-3-12-30-24/h4-9,15H,3,10-14H2,1-2H3,(H,27,28)	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	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay				Bioorg Med Chem Lett 16: 6120-3 (2006) Article DOI: 10.1016/j.bmcl.2006.08.110 BindingDB Entry DOI: 10.7270/Q20Z72XV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50194967 (2-((6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyri...) Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)cn1)-c1ccccc1 Show InChI InChI=1S/C23H24N2O5/c1-16-19(25-21(30-16)18-6-3-2-4-7-18)10-13-28-20-9-8-17(15-24-20)14-23(22(26)27)11-5-12-29-23/h2-4,6-9,15H,5,10-14H2,1H3,(H,26,27)	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	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay				Bioorg Med Chem Lett 16: 6120-3 (2006) Article DOI: 10.1016/j.bmcl.2006.08.110 BindingDB Entry DOI: 10.7270/Q20Z72XV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50195079 ((S)-2-((5-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)...) Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@]2(CCCO2)C(O)=O)nc1)-c1ccccc1 Show InChI InChI=1S/C23H24N2O5/c1-16-20(25-21(30-16)17-6-3-2-4-7-17)10-13-28-19-9-8-18(24-15-19)14-23(22(26)27)11-5-12-29-23/h2-4,6-9,15H,5,10-14H2,1H3,(H,26,27)/t23-/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	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Displacement of radiolabeled darglitazone from human PPAR gamma by SPA assay				Bioorg Med Chem Lett 16: 6116-9 (2006) Article DOI: 10.1016/j.bmcl.2006.08.105 BindingDB Entry DOI: 10.7270/Q2H131P4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50195084 (2-((5-(2-(5-methyl-2-m-tolyloxazol-4-yl)ethoxy)pyr...) Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)nc1)-c1cccc(C)c1 Show InChI InChI=1S/C24H26N2O5/c1-16-5-3-6-18(13-16)22-26-21(17(2)31-22)9-12-29-20-8-7-19(25-15-20)14-24(23(27)28)10-4-11-30-24/h3,5-8,13,15H,4,9-12,14H2,1-2H3,(H,27,28)	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	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Displacement of radiolabeled darglitazone from human PPAR gamma by SPA assay				Bioorg Med Chem Lett 16: 6116-9 (2006) Article DOI: 10.1016/j.bmcl.2006.08.105 BindingDB Entry DOI: 10.7270/Q2H131P4
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50343835 ((S)-1-(4-(4-(3-(2-Cyclohexylethyl)phenyl)oxazol-2-...) Show SMILES NC(=N)[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1nc(co1)-c1cccc(CCC2CCCCC2)c1 |r| Show InChI InChI=1S/C29H34N4O2/c30-27(31)26-10-5-17-33(26)29(34)23-15-13-22(14-16-23)28-32-25(19-35-28)24-9-4-8-21(18-24)12-11-20-6-2-1-3-7-20/h4,8-9,13-16,18-20,26H,1-3,5-7,10-12,17H2,(H3,30,31)/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of purified human SphK1 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting				Bioorg Med Chem Lett 23: 4608-16 (2013) Article DOI: 10.1016/j.bmcl.2013.06.030 BindingDB Entry DOI: 10.7270/Q2736SB3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50194969 (2-((6-(2-(2-(4-chlorophenyl)-5-methyloxazol-4-yl)e...) Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)cn1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H23ClN2O5/c1-15-19(26-21(31-15)17-4-6-18(24)7-5-17)9-12-29-20-8-3-16(14-25-20)13-23(22(27)28)10-2-11-30-23/h3-8,14H,2,9-13H2,1H3,(H,27,28)	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	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay				Bioorg Med Chem Lett 16: 6120-3 (2006) Article DOI: 10.1016/j.bmcl.2006.08.110 BindingDB Entry DOI: 10.7270/Q20Z72XV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50194963 (2-methoxy-3-(6-(2-(5-methyl-2-phenyloxazol-4-yl)et...) Show SMILES COC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)nc1)C(O)=O Show InChI InChI=1S/C21H22N2O5/c1-14-17(23-20(28-14)16-6-4-3-5-7-16)10-11-27-19-9-8-15(13-22-19)12-18(26-2)21(24)25/h3-9,13,18H,10-12H2,1-2H3,(H,24,25)	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	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay				Bioorg Med Chem Lett 16: 6120-3 (2006) Article DOI: 10.1016/j.bmcl.2006.08.110 BindingDB Entry DOI: 10.7270/Q20Z72XV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50195087 (2-ethoxy-3-(5-(2-(5-methyl-2-phenyloxazol-4-yl)eth...) Show SMILES CCOC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cn1)C(O)=O Show InChI InChI=1S/C22H24N2O5/c1-3-27-20(22(25)26)13-17-9-10-18(14-23-17)28-12-11-19-15(2)29-21(24-19)16-7-5-4-6-8-16/h4-10,14,20H,3,11-13H2,1-2H3,(H,25,26)	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	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Displacement of radiolabeled darglitazone from human PPAR gamma by SPA assay				Bioorg Med Chem Lett 16: 6116-9 (2006) Article DOI: 10.1016/j.bmcl.2006.08.105 BindingDB Entry DOI: 10.7270/Q2H131P4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50194952 (2-((6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyri...) Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCCO2)C(O)=O)cn1)-c1ccccc1 Show InChI InChI=1S/C24H26N2O5/c1-17-20(26-22(31-17)19-7-3-2-4-8-19)11-14-29-21-10-9-18(16-25-21)15-24(23(27)28)12-5-6-13-30-24/h2-4,7-10,16H,5-6,11-15H2,1H3,(H,27,28)	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	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay				Bioorg Med Chem Lett 16: 6120-3 (2006) Article DOI: 10.1016/j.bmcl.2006.08.110 BindingDB Entry DOI: 10.7270/Q20Z72XV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50195082 (2-((5-(2-(2-(4-methoxyphenyl)-5-methyloxazol-4-yl)...) Show SMILES COc1ccc(cc1)-c1nc(CCOc2ccc(CC3(CCCO3)C(O)=O)nc2)c(C)o1 Show InChI InChI=1S/C24H26N2O6/c1-16-21(26-22(32-16)17-4-7-19(29-2)8-5-17)10-13-30-20-9-6-18(25-15-20)14-24(23(27)28)11-3-12-31-24/h4-9,15H,3,10-14H2,1-2H3,(H,27,28)	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	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Displacement of radiolabeled darglitazone from human PPAR gamma by SPA assay				Bioorg Med Chem Lett 16: 6116-9 (2006) Article DOI: 10.1016/j.bmcl.2006.08.105 BindingDB Entry DOI: 10.7270/Q2H131P4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50194970 (2-((6-(2-(5-methyl-2-(4-(trifluoromethyl)phenyl)ox...) Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)cn1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C24H23F3N2O5/c1-15-19(29-21(34-15)17-4-6-18(7-5-17)24(25,26)27)9-12-32-20-8-3-16(14-28-20)13-23(22(30)31)10-2-11-33-23/h3-8,14H,2,9-13H2,1H3,(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	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay				Bioorg Med Chem Lett 16: 6120-3 (2006) Article DOI: 10.1016/j.bmcl.2006.08.110 BindingDB Entry DOI: 10.7270/Q20Z72XV
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50232842 (3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-4H-chrome...) Show SMILES CCc1oc2ccccc2c(=O)c1C(=O)c1cc(Br)c(O)c(Br)c1 Show InChI InChI=1S/C18H12Br2O4/c1-2-13-15(17(22)10-5-3-4-6-14(10)24-13)16(21)9-7-11(19)18(23)12(20)8-9/h3-8,23H,2H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	101	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington State University Curated by ChEMBL					Assay Description Inhibition of CYP2C9				J Med Chem 51: 648-54 (2008) Article DOI: 10.1021/jm701130z BindingDB Entry DOI: 10.7270/Q2M32VH2
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50194953 (2-ethoxy-3-(6-(2-(5-methyl-2-phenyloxazol-4-yl)eth...) Show SMILES CCOC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)nc1)C(O)=O Show InChI InChI=1S/C22H24N2O5/c1-3-27-19(22(25)26)13-16-9-10-20(23-14-16)28-12-11-18-15(2)29-21(24-18)17-7-5-4-6-8-17/h4-10,14,19H,3,11-13H2,1-2H3,(H,25,26)	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	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay				Bioorg Med Chem Lett 16: 6120-3 (2006) Article DOI: 10.1016/j.bmcl.2006.08.110 BindingDB Entry DOI: 10.7270/Q20Z72XV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50195080 (2-((5-(2-(2-(4-chlorophenyl)-5-methyloxazol-4-yl)e...) Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)nc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H23ClN2O5/c1-15-20(26-21(31-15)16-3-5-17(24)6-4-16)9-12-29-19-8-7-18(25-14-19)13-23(22(27)28)10-2-11-30-23/h3-8,14H,2,9-13H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Displacement of radiolabeled GW2331 from human PPAR alpha by SPA assay				Bioorg Med Chem Lett 16: 6116-9 (2006) Article DOI: 10.1016/j.bmcl.2006.08.105 BindingDB Entry DOI: 10.7270/Q2H131P4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50195078 (2-((5-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyra...) Show SMILES Cc1oc(nc1CCOc1cnc(CC2(CCCO2)C(O)=O)cn1)-c1ccccc1 Show InChI InChI=1S/C22H23N3O5/c1-15-18(25-20(30-15)16-6-3-2-4-7-16)8-11-28-19-14-23-17(13-24-19)12-22(21(26)27)9-5-10-29-22/h2-4,6-7,13-14H,5,8-12H2,1H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Displacement of radiolabeled darglitazone from human PPAR gamma by SPA assay				Bioorg Med Chem Lett 16: 6116-9 (2006) Article DOI: 10.1016/j.bmcl.2006.08.105 BindingDB Entry DOI: 10.7270/Q2H131P4
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50438113 (CHEMBL1092481) Show SMILES CCCCCCCCCCCCc1ccc(cc1)C(=O)NC1(CC1)C(N)=N Show InChI InChI=1S/C23H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)21(27)26-23(17-18-23)22(24)25/h13-16H,2-12,17-18H2,1H3,(H3,24,25)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of purified human SphK1 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting				Bioorg Med Chem Lett 23: 4608-16 (2013) Article DOI: 10.1016/j.bmcl.2013.06.030 BindingDB Entry DOI: 10.7270/Q2736SB3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50195086 (2-((5-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyri...) Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)nc1)-c1ccccc1 Show InChI InChI=1S/C23H24N2O5/c1-16-20(25-21(30-16)17-6-3-2-4-7-17)10-13-28-19-9-8-18(24-15-19)14-23(22(26)27)11-5-12-29-23/h2-4,6-9,15H,5,10-14H2,1H3,(H,26,27)	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	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Displacement of radiolabeled darglitazone from human PPAR gamma by SPA assay				Bioorg Med Chem Lett 16: 6116-9 (2006) Article DOI: 10.1016/j.bmcl.2006.08.105 BindingDB Entry DOI: 10.7270/Q2H131P4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50194977 (2-((6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyri...) Show SMILES CCCC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)nc1)C(O)=O Show InChI InChI=1S/C23H26N2O4/c1-3-7-19(23(26)27)14-17-10-11-21(24-15-17)28-13-12-20-16(2)29-22(25-20)18-8-5-4-6-9-18/h4-6,8-11,15,19H,3,7,12-14H2,1-2H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay				Bioorg Med Chem Lett 16: 6120-3 (2006) Article DOI: 10.1016/j.bmcl.2006.08.110 BindingDB Entry DOI: 10.7270/Q20Z72XV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50194965 ((S)-2-methoxy-2-methyl-3-(6-(2-(5-methyl-2-phenylo...) Show SMILES CO[C@@](C)(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)nc1)C(O)=O Show InChI InChI=1S/C22H24N2O5/c1-15-18(24-20(29-15)17-7-5-4-6-8-17)11-12-28-19-10-9-16(14-23-19)13-22(2,27-3)21(25)26/h4-10,14H,11-13H2,1-3H3,(H,25,26)/t22-/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	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay				Bioorg Med Chem Lett 16: 6120-3 (2006) Article DOI: 10.1016/j.bmcl.2006.08.110 BindingDB Entry DOI: 10.7270/Q20Z72XV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50195080 (2-((5-(2-(2-(4-chlorophenyl)-5-methyloxazol-4-yl)e...) Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)nc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H23ClN2O5/c1-15-20(26-21(31-15)16-3-5-17(24)6-4-16)9-12-29-19-8-7-18(25-14-19)13-23(22(27)28)10-2-11-30-23/h3-8,14H,2,9-13H2,1H3,(H,27,28)	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	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Displacement of radiolabeled darglitazone from human PPAR gamma by SPA assay				Bioorg Med Chem Lett 16: 6116-9 (2006) Article DOI: 10.1016/j.bmcl.2006.08.105 BindingDB Entry DOI: 10.7270/Q2H131P4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50194973 (2-((6-(2-(2-(4-cyanophenyl)-5-methyloxazol-4-yl)et...) Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)cn1)-c1ccc(cc1)C#N Show InChI InChI=1S/C24H23N3O5/c1-16-20(27-22(32-16)19-6-3-17(14-25)4-7-19)9-12-30-21-8-5-18(15-26-21)13-24(23(28)29)10-2-11-31-24/h3-8,15H,2,9-13H2,1H3,(H,28,29)	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	334	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay				Bioorg Med Chem Lett 16: 6120-3 (2006) Article DOI: 10.1016/j.bmcl.2006.08.110 BindingDB Entry DOI: 10.7270/Q20Z72XV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50195079 ((S)-2-((5-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)...) Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@]2(CCCO2)C(O)=O)nc1)-c1ccccc1 Show InChI InChI=1S/C23H24N2O5/c1-16-20(25-21(30-16)17-6-3-2-4-7-17)10-13-28-19-9-8-18(24-15-19)14-23(22(26)27)11-5-12-29-23/h2-4,6-9,15H,5,10-14H2,1H3,(H,26,27)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Displacement of radiolabeled GW2331 from human PPAR alpha by SPA assay				Bioorg Med Chem Lett 16: 6116-9 (2006) Article DOI: 10.1016/j.bmcl.2006.08.105 BindingDB Entry DOI: 10.7270/Q2H131P4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50195076 (2-methoxy-3-(5-(2-(5-methyl-2-phenyloxazol-4-yl)et...) Show SMILES COC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cn1)C(O)=O Show InChI InChI=1S/C21H22N2O5/c1-14-18(23-20(28-14)15-6-4-3-5-7-15)10-11-27-17-9-8-16(22-13-17)12-19(26-2)21(24)25/h3-9,13,19H,10-12H2,1-2H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	348	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Displacement of radiolabeled darglitazone from human PPAR gamma by SPA assay				Bioorg Med Chem Lett 16: 6116-9 (2006) Article DOI: 10.1016/j.bmcl.2006.08.105 BindingDB Entry DOI: 10.7270/Q2H131P4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50194956 (4-methyl-2-((6-(2-(5-methyl-2-phenyloxazol-4-yl)et...) Show SMILES CC(C)CC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)nc1)C(O)=O Show InChI InChI=1S/C24H28N2O4/c1-16(2)13-20(24(27)28)14-18-9-10-22(25-15-18)29-12-11-21-17(3)30-23(26-21)19-7-5-4-6-8-19/h4-10,15-16,20H,11-14H2,1-3H3,(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	Article PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay				Bioorg Med Chem Lett 16: 6120-3 (2006) Article DOI: 10.1016/j.bmcl.2006.08.110 BindingDB Entry DOI: 10.7270/Q20Z72XV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50194960 (1-((6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyri...) Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCC2)C(O)=O)cn1)-c1ccccc1 Show InChI InChI=1S/C23H24N2O4/c1-16-19(25-21(29-16)18-6-3-2-4-7-18)10-13-28-20-9-8-17(15-24-20)14-23(22(26)27)11-5-12-23/h2-4,6-9,15H,5,10-14H2,1H3,(H,26,27)	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	394	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay				Bioorg Med Chem Lett 16: 6120-3 (2006) Article DOI: 10.1016/j.bmcl.2006.08.110 BindingDB Entry DOI: 10.7270/Q20Z72XV
					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	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay				Bioorg Med Chem Lett 16: 6120-3 (2006) Article DOI: 10.1016/j.bmcl.2006.08.110 BindingDB Entry DOI: 10.7270/Q20Z72XV
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Displacement of radiolabeled darglitazone from human PPAR gamma by SPA assay				Bioorg Med Chem Lett 16: 6116-9 (2006) Article DOI: 10.1016/j.bmcl.2006.08.105 BindingDB Entry DOI: 10.7270/Q2H131P4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50312869 (4-(4-(4-chlorophenyl)thiazol-2-ylamino)phenol | CH...) Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C15H11ClN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of purified human SphK1 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting				Bioorg Med Chem Lett 23: 4608-16 (2013) Article DOI: 10.1016/j.bmcl.2013.06.030 BindingDB Entry DOI: 10.7270/Q2736SB3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50438113 (CHEMBL1092481) Show SMILES CCCCCCCCCCCCc1ccc(cc1)C(=O)NC1(CC1)C(N)=N Show InChI InChI=1S/C23H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)21(27)26-23(17-18-23)22(24)25/h13-16H,2-12,17-18H2,1H3,(H3,24,25)(H,26,27)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of purified human SphK2 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting				Bioorg Med Chem Lett 23: 4608-16 (2013) Article DOI: 10.1016/j.bmcl.2013.06.030 BindingDB Entry DOI: 10.7270/Q2736SB3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50194975 (2-methoxy-2-methyl-3-(6-(2-(5-methyl-2-phenyloxazo...) Show SMILES COC(C)(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)nc1)C(O)=O Show InChI InChI=1S/C22H24N2O5/c1-15-18(24-20(29-15)17-7-5-4-6-8-17)11-12-28-19-10-9-16(14-23-19)13-22(2,27-3)21(25)26/h4-10,14H,11-13H2,1-3H3,(H,25,26)	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	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay				Bioorg Med Chem Lett 16: 6120-3 (2006) Article DOI: 10.1016/j.bmcl.2006.08.110 BindingDB Entry DOI: 10.7270/Q20Z72XV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50194958 (2-((6-(3-(5-methyl-2-phenyloxazol-4-yl)propoxy)pyr...) Show SMILES Cc1oc(nc1CCCOc1ccc(CC2(CCCO2)C(O)=O)cn1)-c1ccccc1 Show InChI InChI=1S/C24H26N2O5/c1-17-20(26-22(31-17)19-7-3-2-4-8-19)9-5-13-29-21-11-10-18(16-25-21)15-24(23(27)28)12-6-14-30-24/h2-4,7-8,10-11,16H,5-6,9,12-15H2,1H3,(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	Article PubMed	810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay				Bioorg Med Chem Lett 16: 6120-3 (2006) Article DOI: 10.1016/j.bmcl.2006.08.110 BindingDB Entry DOI: 10.7270/Q20Z72XV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50195075 (2-ethoxy-3-(5-(3-(5-methyl-2-phenyloxazol-4-yl)pro...) Show SMILES CCOC(Cc1ccc(OCCCc2nc(oc2C)-c2ccccc2)cn1)C(O)=O Show InChI InChI=1S/C23H26N2O5/c1-3-28-21(23(26)27)14-18-11-12-19(15-24-18)29-13-7-10-20-16(2)30-22(25-20)17-8-5-4-6-9-17/h4-6,8-9,11-12,15,21H,3,7,10,13-14H2,1-2H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Displacement of radiolabeled GW2331 from human PPAR alpha by SPA assay				Bioorg Med Chem Lett 16: 6116-9 (2006) Article DOI: 10.1016/j.bmcl.2006.08.105 BindingDB Entry DOI: 10.7270/Q2H131P4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50195082 (2-((5-(2-(2-(4-methoxyphenyl)-5-methyloxazol-4-yl)...) Show SMILES COc1ccc(cc1)-c1nc(CCOc2ccc(CC3(CCCO3)C(O)=O)nc2)c(C)o1 Show InChI InChI=1S/C24H26N2O6/c1-16-21(26-22(32-16)17-4-7-19(29-2)8-5-17)10-13-30-20-9-6-18(25-15-20)14-24(23(27)28)11-3-12-31-24/h4-9,15H,3,10-14H2,1-2H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Displacement of radiolabeled GW2331 from human PPAR alpha by SPA assay				Bioorg Med Chem Lett 16: 6116-9 (2006) Article DOI: 10.1016/j.bmcl.2006.08.105 BindingDB Entry DOI: 10.7270/Q2H131P4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50195081 (2-((5-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyri...) Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCCO2)C(O)=O)nc1)-c1ccccc1 Show InChI InChI=1S/C24H26N2O5/c1-17-21(26-22(31-17)18-7-3-2-4-8-18)11-14-29-20-10-9-19(25-16-20)15-24(23(27)28)12-5-6-13-30-24/h2-4,7-10,16H,5-6,11-15H2,1H3,(H,27,28)	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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Displacement of radiolabeled darglitazone from human PPAR gamma by SPA assay				Bioorg Med Chem Lett 16: 6116-9 (2006) Article DOI: 10.1016/j.bmcl.2006.08.105 BindingDB Entry DOI: 10.7270/Q2H131P4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50195084 (2-((5-(2-(5-methyl-2-m-tolyloxazol-4-yl)ethoxy)pyr...) Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)nc1)-c1cccc(C)c1 Show InChI InChI=1S/C24H26N2O5/c1-16-5-3-6-18(13-16)22-26-21(17(2)31-22)9-12-29-20-8-7-19(25-15-20)14-24(23(27)28)10-4-11-30-24/h3,5-8,13,15H,4,9-12,14H2,1-2H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Displacement of radiolabeled GW2331 from human PPAR alpha by SPA assay				Bioorg Med Chem Lett 16: 6116-9 (2006) Article DOI: 10.1016/j.bmcl.2006.08.105 BindingDB Entry DOI: 10.7270/Q2H131P4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50194954 (2-((6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyri...) Show SMILES CCC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)nc1)C(O)=O Show InChI InChI=1S/C22H24N2O4/c1-3-17(22(25)26)13-16-9-10-20(23-14-16)27-12-11-19-15(2)28-21(24-19)18-7-5-4-6-8-18/h4-10,14,17H,3,11-13H2,1-2H3,(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	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay				Bioorg Med Chem Lett 16: 6120-3 (2006) Article DOI: 10.1016/j.bmcl.2006.08.110 BindingDB Entry DOI: 10.7270/Q20Z72XV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50195075 (2-ethoxy-3-(5-(3-(5-methyl-2-phenyloxazol-4-yl)pro...) Show SMILES CCOC(Cc1ccc(OCCCc2nc(oc2C)-c2ccccc2)cn1)C(O)=O Show InChI InChI=1S/C23H26N2O5/c1-3-28-21(23(26)27)14-18-11-12-19(15-24-18)29-13-7-10-20-16(2)30-22(25-20)17-8-5-4-6-9-17/h4-6,8-9,11-12,15,21H,3,7,10,13-14H2,1-2H3,(H,26,27)	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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Displacement of radiolabeled darglitazone from human PPAR gamma by SPA assay				Bioorg Med Chem Lett 16: 6116-9 (2006) Article DOI: 10.1016/j.bmcl.2006.08.105 BindingDB Entry DOI: 10.7270/Q2H131P4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50195074 (2-((5-(2-(2-(3-methoxyphenyl)-5-methyloxazol-4-yl)...) Show SMILES COc1cccc(c1)-c1nc(CCOc2ccc(CC3(CCCO3)C(O)=O)nc2)c(C)o1 Show InChI InChI=1S/C24H26N2O6/c1-16-21(26-22(32-16)17-5-3-6-19(13-17)29-2)9-12-30-20-8-7-18(25-15-20)14-24(23(27)28)10-4-11-31-24/h3,5-8,13,15H,4,9-12,14H2,1-2H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Displacement of radiolabeled GW2331 from human PPAR alpha by SPA assay				Bioorg Med Chem Lett 16: 6116-9 (2006) Article DOI: 10.1016/j.bmcl.2006.08.105 BindingDB Entry DOI: 10.7270/Q2H131P4
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50299323 ((S)-2-amino-4-hydroxy-N-(4-octylphenyl)butanamide ...) Show SMILES CCCCCCCCc1ccc(NC(=O)[C@@H](N)CCO)cc1 |r| Show InChI InChI=1S/C18H30N2O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)20-18(22)17(19)13-14-21/h9-12,17,21H,2-8,13-14,19H2,1H3,(H,20,22)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of purified human SphK1 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting				Bioorg Med Chem Lett 23: 4608-16 (2013) Article DOI: 10.1016/j.bmcl.2013.06.030 BindingDB Entry DOI: 10.7270/Q2736SB3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50195086 (2-((5-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyri...) Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)nc1)-c1ccccc1 Show InChI InChI=1S/C23H24N2O5/c1-16-20(25-21(30-16)17-6-3-2-4-7-17)10-13-28-19-9-8-18(24-15-19)14-23(22(26)27)11-5-12-29-23/h2-4,6-9,15H,5,10-14H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Displacement of radiolabeled GW2331 from human PPAR alpha by SPA assay				Bioorg Med Chem Lett 16: 6116-9 (2006) Article DOI: 10.1016/j.bmcl.2006.08.105 BindingDB Entry DOI: 10.7270/Q2H131P4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50195077 (2-methoxy-2-methyl-3-(5-(2-(5-methyl-2-phenyloxazo...) Show SMILES COC(C)(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cn1)C(O)=O Show InChI InChI=1S/C22H24N2O5/c1-15-19(24-20(29-15)16-7-5-4-6-8-16)11-12-28-18-10-9-17(23-14-18)13-22(2,27-3)21(25)26/h4-10,14H,11-13H2,1-3H3,(H,25,26)	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	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D Curated by ChEMBL					Assay Description Displacement of radiolabeled darglitazone from human PPAR gamma by SPA assay				Bioorg Med Chem Lett 16: 6116-9 (2006) Article DOI: 10.1016/j.bmcl.2006.08.105 BindingDB Entry DOI: 10.7270/Q2H131P4
					More data for this Ligand-Target Pair

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