Compile Data Set for Download or QSAR

Found 424 hits with Last Name = 'sakya' and Initial = 'sm'   

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
D-amino-acid oxidase (Homo sapiens (Human))	BDBM31149 (3-hydroxyquinolin-2(1H)-one, 3) Show SMILES Oc1cc2cccc(F)c2[nH]c1=O Show InChI InChI=1S/C9H6FNO2/c10-6-3-1-2-5-4-7(12)9(13)11-8(5)6/h1-4,12H,(H,11,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	8.5	22
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair				3D Structure (docked)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50081645 (CHEMBL3422237) Show SMILES [H][C@]12CSC(N)=N[C@]1(CO[C@H](C2)c1cc(C)no1)c1ccc(F)cc1F |r,c:5| Show InChI InChI=1S/C17H17F2N3O2S/c1-9-4-15(24-22-9)14-5-10-7-25-16(20)21-17(10,8-23-14)12-3-2-11(18)6-13(12)19/h2-4,6,10,14H,5,7-8H2,1H3,(H2,20,21)/t10-,14+,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using Biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH substrate assessed as fluorescence polarization by cell f...				J Med Chem 58: 3223-52 (2015) Article DOI: 10.1021/acs.jmedchem.5b00191 BindingDB Entry DOI: 10.7270/Q29W0H68
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM31173 (naphthyridinone analog., 27) Show SMILES Oc1cc2c(Cl)c(F)cnc2[nH]c1=O Show InChI InChI=1S/C8H4ClFN2O2/c9-6-3-1-5(13)8(14)12-7(3)11-2-4(6)10/h1-2,13H,(H,11,12,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	8.5	22
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM136576 (US8865706, 16) Show SMILES C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1cnn(C)c1)c1ccc(F)cc1F |c:4| Show InChI InChI=1S/C18H20F2N4OS/c1-10-14-6-16(11-7-22-24(2)8-11)25-9-18(14,23-17(21)26-10)13-4-3-12(19)5-15(13)20/h3-5,7-8,10,14,16H,6,9H2,1-2H3,(H2,21,23)/t10-,14+,16-,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using Biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH substrate assessed as fluorescence polarization by cell f...				J Med Chem 58: 3223-52 (2015) Article DOI: 10.1021/acs.jmedchem.5b00191 BindingDB Entry DOI: 10.7270/Q29W0H68
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM41536 (US8865706, 15) Show SMILES Cn1cc(cn1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:13| Show InChI InChI=1S/C19H15F6N5O/c20-12-3-13(21)18(23)17(22)11(12)7-29-6-10(5-26-29)27-16(31)8-30-15(19(24)25)4-14(28-30)9-1-2-9/h3-6,9,19H,1-2,7-8H2,(H,27,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using Biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH substrate assessed as fluorescence polarization by cell f...				J Med Chem 58: 3223-52 (2015) Article DOI: 10.1021/acs.jmedchem.5b00191 BindingDB Entry DOI: 10.7270/Q29W0H68
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM31156 (3-hydroxyquinolin-2(1H)-one, 10) Show SMILES Oc1cc2c(Cl)cccc2[nH]c1=O Show InChI InChI=1S/C9H6ClNO2/c10-6-2-1-3-7-5(6)4-8(12)9(13)11-7/h1-4,12H,(H,11,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	8.5	22
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair				3D Structure (docked)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50081646 (CHEMBL3422236) Show SMILES [H][C@]12CSC(N)=N[C@]1(CO[C@H](C2)c1nc(C)co1)c1ccc(F)cc1F |r,c:5| Show InChI InChI=1S/C17H17F2N3O2S/c1-9-6-23-15(21-9)14-4-10-7-25-16(20)22-17(10,8-24-14)12-3-2-11(18)5-13(12)19/h2-3,5-6,10,14H,4,7-8H2,1H3,(H2,20,22)/t10-,14+,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using Biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH substrate assessed as fluorescence polarization by cell f...				J Med Chem 58: 3223-52 (2015) Article DOI: 10.1021/acs.jmedchem.5b00191 BindingDB Entry DOI: 10.7270/Q29W0H68
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Rattus norvegicus (rat))	BDBM31173 (naphthyridinone analog., 27) Show SMILES Oc1cc2c(Cl)c(F)cnc2[nH]c1=O Show InChI InChI=1S/C8H4ClFN2O2/c9-6-3-1-5(13)8(14)12-7(3)11-2-4(6)10/h1-2,13H,(H,11,12,14)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM31148 (3-hydroxyquinolin-2(1H)-one, 2 | US9701638, 1) Show SMILES Oc1cc2ccccc2[nH]c1=O Show InChI InChI=1S/C9H7NO2/c11-8-5-6-3-1-2-4-7(6)10-9(8)12/h1-5,11H,(H,10,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	8.5	22
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-amino-acid oxidase (Homo sapiens (Human))	BDBM31172 (3-hydroxyquinolin-2(1H)-one, 26) Show SMILES Oc1cc2c(Cl)c(F)ccc2[nH]c1=O Show InChI InChI=1S/C9H5ClFNO2/c10-8-4-3-7(13)9(14)12-6(4)2-1-5(8)11/h1-3,13H,(H,12,14)	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	5	n/a	n/a	n/a	n/a	8.5	22
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM148176 (US8962616, 22 | US8962616, 4) Show SMILES C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1nc(C)co1)c1ccc(F)cc1F |r,c:4| Show InChI InChI=1S/C18H19F2N3O2S/c1-9-7-24-16(22-9)15-6-13-10(2)26-17(21)23-18(13,8-25-15)12-4-3-11(19)5-14(12)20/h3-5,7,10,13,15H,6,8H2,1-2H3,(H2,21,23)/t10-,13+,15-,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using Biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH substrate assessed as fluorescence polarization by cell f...				J Med Chem 58: 3223-52 (2015) Article DOI: 10.1021/acs.jmedchem.5b00191 BindingDB Entry DOI: 10.7270/Q29W0H68
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM136570 (US8865706, 9) Show SMILES C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1cc(C)no1)c1ccc(F)cc1F |c:4| Show InChI InChI=1S/C18H19F2N3O2S/c1-9-5-16(25-23-9)15-7-13-10(2)26-17(21)22-18(13,8-24-15)12-4-3-11(19)6-14(12)20/h3-6,10,13,15H,7-8H2,1-2H3,(H2,21,22)/t10-,13+,15-,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using Biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH substrate assessed as fluorescence polarization by cell f...				J Med Chem 58: 3223-52 (2015) Article DOI: 10.1021/acs.jmedchem.5b00191 BindingDB Entry DOI: 10.7270/Q29W0H68
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM136583 (US8865706, 22) Show SMILES Cn1cc(cn1)[C@H]1C[C@H]2[C@@H](CF)SC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:15| Show InChI InChI=1S/C18H19F3N4OS/c1-25-8-10(7-23-25)15-5-13-16(6-19)27-17(22)24-18(13,9-26-15)12-3-2-11(20)4-14(12)21/h2-4,7-8,13,15-16H,5-6,9H2,1H3,(H2,22,24)/t13-,15+,16+,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using Biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH substrate assessed as fluorescence polarization by cell f...				J Med Chem 58: 3223-52 (2015) Article DOI: 10.1021/acs.jmedchem.5b00191 BindingDB Entry DOI: 10.7270/Q29W0H68
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM31161 (3-hydroxyquinolin-2(1H)-one, 15) Show SMILES CCc1cccc2[nH]c(=O)c(O)cc12 Show InChI InChI=1S/C11H11NO2/c1-2-7-4-3-5-9-8(7)6-10(13)11(14)12-9/h3-6,13H,2H2,1H3,(H,12,14)	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	8	n/a	n/a	n/a	n/a	8.5	22
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM31152 (3-hydroxyquinolin-2(1H)-one, 6) Show SMILES Oc1cc2c(F)cccc2[nH]c1=O Show InChI InChI=1S/C9H6FNO2/c10-6-2-1-3-7-5(6)4-8(12)9(13)11-7/h1-4,12H,(H,11,13)	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	8	n/a	n/a	n/a	n/a	8.5	22
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM31164 (naphthyridinone analog.,18) Show SMILES Oc1cc2cccnc2[nH]c1=O Show InChI InChI=1S/C8H6N2O2/c11-6-4-5-2-1-3-9-7(5)10-8(6)12/h1-4,11H,(H,9,10,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	8.5	22
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM31147 (4H-furo[3,2-b]pyrrole-5-carboxylic acid | 5-carbox...) Show SMILES OC(=O)c1cc2occc2[nH]1 Show InChI InChI=1S/C7H5NO3/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	8.5	22
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-amino-acid oxidase (Homo sapiens (Human))	BDBM31151 (3-hydroxyquinolin-2(1H)-one, 5) Show SMILES Oc1cc2cc(F)ccc2[nH]c1=O Show InChI InChI=1S/C9H6FNO2/c10-6-1-2-7-5(3-6)4-8(12)9(13)11-7/h1-4,12H,(H,11,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	8.5	22
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair				3D Structure (docked)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50081642 (CHEMBL3422244) Show SMILES [H][C@@]12C[C@@H](OC[C@@]1(N=C(N)S[C@@H]2CF)c1ccc(F)cc1F)c1nc(C)co1 |r,t:8| Show InChI InChI=1S/C18H18F3N3O2S/c1-9-7-25-16(23-9)14-5-12-15(6-19)27-17(22)24-18(12,8-26-14)11-3-2-10(20)4-13(11)21/h2-4,7,12,14-15H,5-6,8H2,1H3,(H2,22,24)/t12-,14+,15+,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using Biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH substrate assessed as fluorescence polarization by cell f...				J Med Chem 58: 3223-52 (2015) Article DOI: 10.1021/acs.jmedchem.5b00191 BindingDB Entry DOI: 10.7270/Q29W0H68
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Canis familiaris)	BDBM50182352 (2-(5-(3-chloro-4-(furan-2-yl)phenyl)-3-(difluorome...) Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(-c2ccco2)c(Cl)c1)C(F)F Show InChI InChI=1S/C20H14ClF2N3O3S/c1-30(27,28)13-5-7-19(24-11-13)26-17(10-16(25-26)20(22)23)12-4-6-14(15(21)9-12)18-3-2-8-29-18/h2-11,20H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Veterinary Medicine Research and Development Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of COX2 in canine whole blood				Bioorg Med Chem Lett 16: 2076-80 (2006) Article DOI: 10.1016/j.bmcl.2006.01.059 BindingDB Entry DOI: 10.7270/Q28K78PW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Canis familiaris)	BDBM50182338 (2-(5-(4-(furan-2-yl)-3-methylphenyl)-3-(trifluorom...) Show SMILES Cc1cc(ccc1-c1ccco1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C21H16F3N3O3S/c1-13-10-14(5-7-16(13)18-4-3-9-30-18)17-11-19(21(22,23)24)26-27(17)20-8-6-15(12-25-20)31(2,28)29/h3-12H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Veterinary Medicine Research and Development Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of COX2 in canine whole blood				Bioorg Med Chem Lett 16: 2076-80 (2006) Article DOI: 10.1016/j.bmcl.2006.01.059 BindingDB Entry DOI: 10.7270/Q28K78PW
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM31150 (3-hydroxyquinolin-2(1H)-one, 4) Show SMILES Oc1cc2ccc(F)cc2[nH]c1=O Show InChI InChI=1S/C9H6FNO2/c10-6-2-1-5-3-8(12)9(13)11-7(5)4-6/h1-4,12H,(H,11,13)	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	10	n/a	n/a	n/a	n/a	8.5	22
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair				3D Structure (docked)
Prostaglandin G/H synthase 2 (Canis familiaris)	BDBM50182347 (2-(5-(3-chloro-4-(furan-2-yl)phenyl)-3-(trifluorom...) Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(-c2ccco2)c(Cl)c1)C(F)(F)F Show InChI InChI=1S/C20H13ClF3N3O3S/c1-31(28,29)13-5-7-19(25-11-13)27-16(10-18(26-27)20(22,23)24)12-4-6-14(15(21)9-12)17-3-2-8-30-17/h2-11H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD 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
Veterinary Medicine Research and Development Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of COX2 in canine whole blood				Bioorg Med Chem Lett 16: 2076-80 (2006) Article DOI: 10.1016/j.bmcl.2006.01.059 BindingDB Entry DOI: 10.7270/Q28K78PW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Canis familiaris)	BDBM50182339 (2-(furan-2-yl)-5-(1-(5-(methylsulfonyl)pyridin-2-y...) Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(-c2ccco2)c(c1)C#N)C(F)(F)F Show InChI InChI=1S/C21H13F3N4O3S/c1-32(29,30)15-5-7-20(26-12-15)28-17(10-19(27-28)21(22,23)24)13-4-6-16(14(9-13)11-25)18-3-2-8-31-18/h2-10,12H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Veterinary Medicine Research and Development Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of COX2 in canine whole blood				Bioorg Med Chem Lett 16: 2076-80 (2006) Article DOI: 10.1016/j.bmcl.2006.01.059 BindingDB Entry DOI: 10.7270/Q28K78PW
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM136574 (US8865706, 13) Show SMILES Cc1cc(on1)[C@H]1C[C@H]2[C@@H](CF)SC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:15| Show InChI InChI=1S/C18H18F3N3O2S/c1-9-4-15(26-24-9)14-6-12-16(7-19)27-17(22)23-18(12,8-25-14)11-3-2-10(20)5-13(11)21/h2-5,12,14,16H,6-8H2,1H3,(H2,22,23)/t12-,14+,16+,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using Biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH substrate assessed as fluorescence polarization by cell f...				J Med Chem 58: 3223-52 (2015) Article DOI: 10.1021/acs.jmedchem.5b00191 BindingDB Entry DOI: 10.7270/Q29W0H68
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM31160 (3-hydroxyquinolin-2(1H)-one, 14) Show SMILES Cc1cccc2[nH]c(=O)c(O)cc12 Show InChI InChI=1S/C10H9NO2/c1-6-3-2-4-8-7(6)5-9(12)10(13)11-8/h2-5,12H,1H3,(H,11,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	8.5	22
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair				3D Structure (docked)
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50293282 (CHEMBL504535 | Imrecoxib) Show SMILES CCCN1CC(=C(C1=O)c1ccc(C)cc1)c1ccc(cc1)S(C)(=O)=O |c:5| Show InChI InChI=1S/C21H23NO3S/c1-4-13-22-14-19(16-9-11-18(12-10-16)26(3,24)25)20(21(22)23)17-7-5-15(2)6-8-17/h5-12H,4,13-14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
PharmaPhase Co., Ltd Curated by ChEMBL					Assay Description Inhibition of LPS-induced COX-2 in peritoneal macrophage of C57BL/J6 mouse assessed as prostaglandin E2 formation preincubated for 1 hr followed by L...				Bioorg Med Chem 22: 2005-32 (2014) Article DOI: 10.1016/j.bmc.2014.02.017 BindingDB Entry DOI: 10.7270/Q2WS8VS9
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Canis familiaris)	BDBM50182353 (2-(3-(difluoromethyl)-5-(3-methyl-4-(thiazol-4-yl)...) Show SMILES Cc1cc(ccc1-c1cscn1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F Show InChI InChI=1S/C20H16F2N4O2S2/c1-12-7-13(3-5-15(12)17-10-29-11-24-17)18-8-16(20(21)22)25-26(18)19-6-4-14(9-23-19)30(2,27)28/h3-11,20H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Veterinary Medicine Research and Development Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of COX2 in canine whole blood				Bioorg Med Chem Lett 16: 2076-80 (2006) Article DOI: 10.1016/j.bmcl.2006.01.059 BindingDB Entry DOI: 10.7270/Q28K78PW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Canis familiaris)	BDBM50182332 (2-(5-(4-(furan-2-yl)phenyl)-3-(trifluoromethyl)-1H...) Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(cc1)-c1ccco1)C(F)(F)F Show InChI InChI=1S/C20H14F3N3O3S/c1-30(27,28)15-8-9-19(24-12-15)26-16(11-18(25-26)20(21,22)23)13-4-6-14(7-5-13)17-3-2-10-29-17/h2-12H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Veterinary Medicine Research and Development Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of COX2 in canine whole blood				Bioorg Med Chem Lett 16: 2076-80 (2006) Article DOI: 10.1016/j.bmcl.2006.01.059 BindingDB Entry DOI: 10.7270/Q28K78PW
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50396483 (PLX-4032 | RG 7204 | Ro 5185426 | US10570155, Vemu...) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Shenogen Pharma Group Curated by ChEMBL					Assay Description Inhibition of wild type BRAF (unknown origin)				Bioorg Med Chem 21: 2795-825 (2013) Article DOI: 10.1016/j.bmc.2013.02.061 BindingDB Entry DOI: 10.7270/Q2DV1M8C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM148173 (US8962616, 1) Show SMILES NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ncco1)c1ccc(F)cc1F |r,t:1| Show InChI InChI=1S/C16H15F2N3O2S/c17-10-1-2-11(12(18)6-10)16-8-23-13(14-20-3-4-22-14)5-9(16)7-24-15(19)21-16/h1-4,6,9,13H,5,7-8H2,(H2,19,21)/t9-,13+,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using Biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH substrate assessed as fluorescence polarization by cell f...				J Med Chem 58: 3223-52 (2015) Article DOI: 10.1021/acs.jmedchem.5b00191 BindingDB Entry DOI: 10.7270/Q29W0H68
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50176545 (3-(difluoromethyl)-5-((2R,6S)-2,6-dimethylmorpholi...) Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1c(C#N)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F Show InChI InChI=1S/C17H19F2N5O3S/c1-10-8-23(9-11(2)27-10)17-13(6-20)15(16(18)19)22-24(17)14-5-4-12(7-21-14)28(3,25)26/h4-5,7,10-11,16H,8-9H2,1-3H3/t10-,11+	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	28	n/a	n/a	n/a	n/a	n/a	n/a
Veterinary Medicine Research and Development Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against COX2 in feline whole blood assay				Bioorg Med Chem Lett 16: 288-92 (2005) Article DOI: 10.1016/j.bmcl.2005.10.006 BindingDB Entry DOI: 10.7270/Q2NZ876S
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Canis familiaris)	BDBM50176555 (3-(difluoromethyl)-5-(3-methylpiperidin-1-yl)-1-(5...) Show SMILES CC1CCCN(C1)c1c(C#N)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F Show InChI InChI=1S/C17H19F2N5O2S/c1-11-4-3-7-23(10-11)17-13(8-20)15(16(18)19)22-24(17)14-6-5-12(9-21-14)27(2,25)26/h5-6,9,11,16H,3-4,7,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Veterinary Medicine Research and Development Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against COX2 in canine whole blood				Bioorg Med Chem Lett 16: 288-92 (2005) Article DOI: 10.1016/j.bmcl.2005.10.006 BindingDB Entry DOI: 10.7270/Q2NZ876S
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Canis familiaris)	BDBM50182345 (2-(5-(3-methyl-4-(oxazol-4-yl)phenyl)-3-(trifluoro...) Show SMILES Cc1cc(ccc1-c1cocn1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C20H15F3N4O3S/c1-12-7-13(3-5-15(12)16-10-30-11-25-16)17-8-18(20(21,22)23)26-27(17)19-6-4-14(9-24-19)31(2,28)29/h3-11H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Veterinary Medicine Research and Development Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of COX2 in canine whole blood				Bioorg Med Chem Lett 16: 2076-80 (2006) Article DOI: 10.1016/j.bmcl.2006.01.059 BindingDB Entry DOI: 10.7270/Q28K78PW
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM31165 (naphthyridinone analog.,19) Show SMILES Oc1cc2cnccc2[nH]c1=O Show InChI InChI=1S/C8H6N2O2/c11-7-3-5-4-9-2-1-6(5)10-8(7)12/h1-4,11H,(H,10,12)	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	32	n/a	n/a	n/a	n/a	8.5	22
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair				3D Structure (docked)
D-amino-acid oxidase (Homo sapiens (Human))	BDBM31153 (3-hydroxyquinolin-2(1H)-one, 7) Show SMILES Oc1cc2cccc(Cl)c2[nH]c1=O Show InChI InChI=1S/C9H6ClNO2/c10-6-3-1-2-5-4-7(12)9(13)11-8(5)6/h1-4,12H,(H,11,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	8.5	22
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair				3D Structure (docked)
Beta-secretase 1 (Homo sapiens (Human))	BDBM136576 (US8865706, 16) Show SMILES C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1cnn(C)c1)c1ccc(F)cc1F |c:4| Show InChI InChI=1S/C18H20F2N4OS/c1-10-14-6-16(11-7-22-24(2)8-11)25-9-18(14,23-17(21)26-10)13-4-3-12(19)5-15(13)20/h3-5,7-8,10,14,16H,6,9H2,1-2H3,(H2,21,23)/t10-,14+,16-,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells overexpressing wild type human APP695 assessed as colorimetric reaction by Whole cell assay				J Med Chem 58: 3223-52 (2015) Article DOI: 10.1021/acs.jmedchem.5b00191 BindingDB Entry DOI: 10.7270/Q29W0H68
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM31157 (3-hydroxyquinolin-2(1H)-one, 11) Show SMILES Cc1cccc2cc(O)c(=O)[nH]c12 Show InChI InChI=1S/C10H9NO2/c1-6-3-2-4-7-5-8(12)10(13)11-9(6)7/h2-5,12H,1H3,(H,11,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	8.5	22
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair				3D Structure (docked)
D-amino-acid oxidase (Rattus norvegicus (rat))	BDBM31156 (3-hydroxyquinolin-2(1H)-one, 10) Show SMILES Oc1cc2c(Cl)cccc2[nH]c1=O Show InChI InChI=1S/C9H6ClNO2/c10-6-2-1-3-7-5(6)4-8(12)9(13)11-7/h1-4,12H,(H,11,13)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Canis familiaris)	BDBM50179600 (5-(2-fluorobenzylthio)-1-(5-(methylsulfonyl)pyridi...) Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(c(C#N)c1SCc1ccccc1F)C(F)(F)F Show InChI InChI=1S/C18H12F4N4O2S2/c1-30(27,28)12-6-7-15(24-9-12)26-17(13(8-23)16(25-26)18(20,21)22)29-10-11-4-2-3-5-14(11)19/h2-7,9H,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD 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
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of COX2 by canine whole blood assay				Bioorg Med Chem Lett 16: 1202-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.110 BindingDB Entry DOI: 10.7270/Q2FT8KKM
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Canis familiaris)	BDBM50137438 (5-Methanesulfonyl-2-[5-(4-methoxy-phenyl)-3-triflu...) Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O3S/c1-26-12-5-3-11(4-6-12)14-9-15(17(18,19)20)22-23(14)16-8-7-13(10-21-16)27(2,24)25/h3-10H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.				Bioorg Med Chem Lett 14: 95-8 (2003) BindingDB Entry DOI: 10.7270/Q25B01WP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Canis familiaris)	BDBM50137423 (2-(4-Chloro-3-difluoromethyl-5-phenyl-pyrazol-1-yl...) Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(C(F)F)c(Cl)c1-c1ccccc1 Show InChI InChI=1S/C16H12ClF2N3O2S/c1-25(23,24)11-7-8-12(20-9-11)22-15(10-5-3-2-4-6-10)13(17)14(21-22)16(18)19/h2-9,16H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.				Bioorg Med Chem Lett 14: 95-8 (2003) BindingDB Entry DOI: 10.7270/Q25B01WP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Canis familiaris)	BDBM50137442 (2-[3-Difluoromethyl-5-(3-fluoro-4-methoxy-phenyl)-...) Show SMILES COc1ccc(cc1F)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F Show InChI InChI=1S/C17H14F3N3O3S/c1-26-15-5-3-10(7-12(15)18)14-8-13(17(19)20)22-23(14)16-6-4-11(9-21-16)27(2,24)25/h3-9,17H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.				Bioorg Med Chem Lett 14: 95-8 (2003) BindingDB Entry DOI: 10.7270/Q25B01WP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Canis familiaris)	BDBM50182335 (2-(5-(3-fluoro-4-(furan-2-yl)phenyl)-3-(trifluorom...) Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(-c2ccco2)c(F)c1)C(F)(F)F Show InChI InChI=1S/C20H13F4N3O3S/c1-31(28,29)13-5-7-19(25-11-13)27-16(10-18(26-27)20(22,23)24)12-4-6-14(15(21)9-12)17-3-2-8-30-17/h2-11H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Veterinary Medicine Research and Development Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of COX2 in canine whole blood				Bioorg Med Chem Lett 16: 2076-80 (2006) Article DOI: 10.1016/j.bmcl.2006.01.059 BindingDB Entry DOI: 10.7270/Q28K78PW
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Rattus norvegicus (rat))	BDBM31172 (3-hydroxyquinolin-2(1H)-one, 26) Show SMILES Oc1cc2c(Cl)c(F)ccc2[nH]c1=O Show InChI InChI=1S/C9H5ClFNO2/c10-8-4-3-7(13)9(14)12-6(4)2-1-5(8)11/h1-3,13H,(H,12,14)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Canis familiaris)	BDBM50137420 (2-[5-(4-Ethoxy-phenyl)-3-trifluoromethyl-pyrazol-1...) Show SMILES CCOc1ccc(cc1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C18H16F3N3O3S/c1-3-27-13-6-4-12(5-7-13)15-10-16(18(19,20)21)23-24(15)17-9-8-14(11-22-17)28(2,25)26/h4-11H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against cannine prostaglandin G/H synthase 1.				Bioorg Med Chem Lett 14: 95-8 (2003) BindingDB Entry DOI: 10.7270/Q25B01WP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Canis familiaris)	BDBM50182351 (2-(5-(3-chloro-4-(thiazol-4-yl)phenyl)-3-(trifluor...) Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(-c2cscn2)c(Cl)c1)C(F)(F)F Show InChI InChI=1S/C19H12ClF3N4O2S2/c1-31(28,29)12-3-5-18(24-8-12)27-16(7-17(26-27)19(21,22)23)11-2-4-13(14(20)6-11)15-9-30-10-25-15/h2-10H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Veterinary Medicine Research and Development Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of COX2 in canine whole blood				Bioorg Med Chem Lett 16: 2076-80 (2006) Article DOI: 10.1016/j.bmcl.2006.01.059 BindingDB Entry DOI: 10.7270/Q28K78PW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Canis familiaris)	BDBM50179631 (5-(sec-butylthio)-1-(5-(methylsulfonyl)pyridin-2-y...) Show SMILES CCC(C)Sc1c(C#N)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C15H15F3N4O2S2/c1-4-9(2)25-14-11(7-19)13(15(16,17)18)21-22(14)12-6-5-10(8-20-12)26(3,23)24/h5-6,8-9H,4H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of COX2 by canine whole blood assay				Bioorg Med Chem Lett 16: 1202-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.110 BindingDB Entry DOI: 10.7270/Q2FT8KKM
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Canis familiaris)	BDBM50179598 (1-(5-(methylsulfonyl)pyridin-2-yl)-5-(propylthio)-...) Show SMILES CCCSc1c(C#N)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C14H13F3N4O2S2/c1-3-6-24-13-10(7-18)12(14(15,16)17)20-21(13)11-5-4-9(8-19-11)25(2,22)23/h4-5,8H,3,6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of COX2 by canine whole blood assay				Bioorg Med Chem Lett 16: 1202-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.110 BindingDB Entry DOI: 10.7270/Q2FT8KKM
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM41536 (US8865706, 15) Show SMILES Cn1cc(cn1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:13| Show InChI InChI=1S/C19H15F6N5O/c20-12-3-13(21)18(23)17(22)11(12)7-29-6-10(5-26-29)27-16(31)8-30-15(19(24)25)4-14(28-30)9-1-2-9/h3-6,9,19H,1-2,7-8H2,(H,27,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells overexpressing wild type human APP695 assessed as colorimetric reaction by Whole cell assay				J Med Chem 58: 3223-52 (2015) Article DOI: 10.1021/acs.jmedchem.5b00191 BindingDB Entry DOI: 10.7270/Q29W0H68
					More data for this Ligand-Target Pair

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