Compile Data Set for Download or QSAR

Found 367 hits with Last Name = 'bornemeier' and Initial = 'da'   

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
Collagenase 3 (Homo sapiens (Human))	BDBM50234334 (BENZYL 6-BENZYL-5,7-DIOXO-6,7-DIHYDRO-5H-[1,3]THIA...) Show SMILES O=C(OCc1ccccc1)c1cn2c(cc(=O)n(Cc3ccccc3)c2=O)s1 Show InChI InChI=1S/C21H16N2O4S/c24-18-11-19-23(21(26)22(18)12-15-7-3-1-4-8-15)13-17(28-19)20(25)27-14-16-9-5-2-6-10-16/h1-11,13H,12,14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Patents	PDB Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant full length MMP13 by steady state kinetic assay				J Biol Chem 282: 27781-91 (2007) Article DOI: 10.1074/jbc.M703286200 BindingDB Entry DOI: 10.7270/Q2Z89C58
					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM50265079 ((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...) Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C#CCc1ccccc1 Show InChI InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.670	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13 catalytic domain				J Biol Chem 282: 27781-91 (2007) Article DOI: 10.1074/jbc.M703286200 BindingDB Entry DOI: 10.7270/Q2Z89C58
					More data for this Ligand-Target Pair				3D Structure (crystal)
Interstitial collagenase (Homo sapiens (Human))	BDBM50062351 ((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of MMP1				J Biol Chem 282: 27781-91 (2007) Article DOI: 10.1074/jbc.M703286200 BindingDB Entry DOI: 10.7270/Q2Z89C58
					More data for this Ligand-Target Pair
Matrix metalloproteinase-17 (Homo sapiens (Human))	BDBM50062351 ((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of MMP17 catalytic domain				J Biol Chem 282: 27781-91 (2007) Article DOI: 10.1074/jbc.M703286200 BindingDB Entry DOI: 10.7270/Q2Z89C58
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50062351 ((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of MMP14 catalytic domain				J Biol Chem 282: 27781-91 (2007) Article DOI: 10.1074/jbc.M703286200 BindingDB Entry DOI: 10.7270/Q2Z89C58
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50062351 ((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of MMP12 catalytic domain				J Biol Chem 282: 27781-91 (2007) Article DOI: 10.1074/jbc.M703286200 BindingDB Entry DOI: 10.7270/Q2Z89C58
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50062351 ((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13 catalytic domain				J Biol Chem 282: 27781-91 (2007) Article DOI: 10.1074/jbc.M703286200 BindingDB Entry DOI: 10.7270/Q2Z89C58
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50044072 (CHEMBL16434 | N-[5-(3,5-Di-tert-butyl-4-hydroxy-be...) Show SMILES CC(C)(C)c1cc(C=C2SC(NC(N)=N)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:14| Show InChI InChI=1S/C19H26N4O2S/c1-18(2,3)11-7-10(8-12(14(11)24)19(4,5)6)9-13-15(25)22-17(26-13)23-16(20)21/h7-9,24H,1-6H3,(H4,20,21,22,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description IC50 against ovine Prostaglandin G/H synthase 1				J Med Chem 42: 1151-60 (1999) Article DOI: 10.1021/jm9805081 BindingDB Entry DOI: 10.7270/Q24X56Z3
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines.				J Med Chem 42: 1151-60 (1999) Article DOI: 10.1021/jm9805081 BindingDB Entry DOI: 10.7270/Q24X56Z3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description IC50 value against Prostaglandin G/H synthase 2 of murine J774A.1 cell line				J Med Chem 42: 1161-9 (1999) Article DOI: 10.1021/jm980570y BindingDB Entry DOI: 10.7270/Q2154G6N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50062351 ((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of MMP9				J Biol Chem 282: 27781-91 (2007) Article DOI: 10.1074/jbc.M703286200 BindingDB Entry DOI: 10.7270/Q2Z89C58
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50062351 ((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of MMP3 catalytic domain				J Biol Chem 282: 27781-91 (2007) Article DOI: 10.1074/jbc.M703286200 BindingDB Entry DOI: 10.7270/Q2Z89C58
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description IC50 against Prostaglandin G/H synthase 1 from human platelet rich plasma				J Med Chem 42: 1151-60 (1999) Article DOI: 10.1021/jm9805081 BindingDB Entry DOI: 10.7270/Q24X56Z3
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description IC50 value against Prostaglandin G/H synthase 1 of human platelet rich plasma				J Med Chem 42: 1161-9 (1999) Article DOI: 10.1021/jm980570y BindingDB Entry DOI: 10.7270/Q2154G6N
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50046902 (2,6-Di-tert-butyl-4-(5-methylsulfanyl-[1,3,4]thiad...) Show SMILES CSc1nnc(s1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C Show InChI InChI=1S/C17H24N2OS2/c1-16(2,3)11-8-10(14-18-19-15(21-7)22-14)9-12(13(11)20)17(4,5)6/h8-9,20H,1-7H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description IC50 value against Prostaglandin G/H synthase 2 of murine J774A.1 cell line				J Med Chem 42: 1161-9 (1999) Article DOI: 10.1021/jm980570y BindingDB Entry DOI: 10.7270/Q2154G6N
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50062351 ((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of MMP8 catalytic domain				J Biol Chem 282: 27781-91 (2007) Article DOI: 10.1074/jbc.M703286200 BindingDB Entry DOI: 10.7270/Q2Z89C58
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50062351 ((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of MMP2				J Biol Chem 282: 27781-91 (2007) Article DOI: 10.1074/jbc.M703286200 BindingDB Entry DOI: 10.7270/Q2Z89C58
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50075529 (2-(3,5-Di-tert-butyl-4-methoxy-phenyl)-5-methylsul...) Show SMILES COc1c(cc(cc1C(C)(C)C)-c1nnc(SC)s1)C(C)(C)C Show InChI InChI=1S/C18H26N2OS2/c1-17(2,3)12-9-11(15-19-20-16(22-8)23-15)10-13(14(12)21-7)18(4,5)6/h9-10H,1-8H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description IC50 value against Prostaglandin G/H synthase 2 of murine J774A.1 cell line				J Med Chem 42: 1161-9 (1999) Article DOI: 10.1021/jm980570y BindingDB Entry DOI: 10.7270/Q2154G6N
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description IC50 value against ovine Prostaglandin G/H synthase 1				J Med Chem 42: 1161-9 (1999) Article DOI: 10.1021/jm980570y BindingDB Entry DOI: 10.7270/Q2154G6N
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description IC50 against ovine Prostaglandin G/H synthase 1				J Med Chem 42: 1151-60 (1999) Article DOI: 10.1021/jm9805081 BindingDB Entry DOI: 10.7270/Q24X56Z3
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50075548 (2,6-Di-tert-butyl-4-(5-ethylsulfanyl-[1,3,4]oxadia...) Show SMILES CCSc1nnc(o1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C Show InChI InChI=1S/C18H26N2O2S/c1-8-23-16-20-19-15(22-16)11-9-12(17(2,3)4)14(21)13(10-11)18(5,6)7/h9-10,21H,8H2,1-7H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
Warner-Lambert Company Curated by ChEMBL					Assay Description IC50 value against Prostaglandin G/H synthase 2 of murine J774A.1 cell line				J Med Chem 42: 1161-9 (1999) Article DOI: 10.1021/jm980570y BindingDB Entry DOI: 10.7270/Q2154G6N
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50075551 (3-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-[1,2,4]thia...) Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1nc(=O)s[nH]1 Show InChI InChI=1S/C16H22N2O2S/c1-15(2,3)10-7-9(13-17-14(20)21-18-13)8-11(12(10)19)16(4,5)6/h7-8,19H,1-6H3,(H,17,18,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
Warner-Lambert Company Curated by ChEMBL					Assay Description IC50 value against Prostaglandin G/H synthase 2 of murine J774A.1 cell line				J Med Chem 42: 1161-9 (1999) Article DOI: 10.1021/jm980570y BindingDB Entry DOI: 10.7270/Q2154G6N
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50075541 (4,6-Di-tert-butyl-2-(5-ethylsulfanyl-[1,3,4]thiadi...) Show SMILES CCSc1nnc(s1)-c1nc(c(O)c(n1)C(C)(C)C)C(C)(C)C Show InChI InChI=1S/C16H24N4OS2/c1-8-22-14-20-19-13(23-14)12-17-10(15(2,3)4)9(21)11(18-12)16(5,6)7/h21H,8H2,1-7H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
Warner-Lambert Company Curated by ChEMBL					Assay Description IC50 value against Prostaglandin G/H synthase 2 of murine J774A.1 cell line				J Med Chem 42: 1161-9 (1999) Article DOI: 10.1021/jm980570y BindingDB Entry DOI: 10.7270/Q2154G6N
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50029593 (CHEMBL7162 | N-(2-(cyclohexyloxy)-4-nitrophenyl)me...) Show SMILES CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O Show InChI InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines.				J Med Chem 42: 1151-60 (1999) Article DOI: 10.1021/jm9805081 BindingDB Entry DOI: 10.7270/Q24X56Z3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50029593 (CHEMBL7162 | N-(2-(cyclohexyloxy)-4-nitrophenyl)me...) Show SMILES CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O Show InChI InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description IC50 value against Prostaglandin G/H synthase 2 of murine J774A.1 cell line				J Med Chem 42: 1161-9 (1999) Article DOI: 10.1021/jm980570y BindingDB Entry DOI: 10.7270/Q2154G6N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50075519 (4,6-Di-tert-butyl-2-(5-methylsulfanyl-[1,3,4]thiad...) Show SMILES CSc1nnc(s1)-c1nc(c(O)c(n1)C(C)(C)C)C(C)(C)C Show InChI InChI=1S/C15H22N4OS2/c1-14(2,3)9-8(20)10(15(4,5)6)17-11(16-9)12-18-19-13(21-7)22-12/h20H,1-7H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description IC50 value against Prostaglandin G/H synthase 2 of murine J774A.1 cell line				J Med Chem 42: 1161-9 (1999) Article DOI: 10.1021/jm980570y BindingDB Entry DOI: 10.7270/Q2154G6N
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50075539 (3-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-[1,2,4]thia...) Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1nsc(NC#N)n1 Show InChI InChI=1S/C17H22N4OS/c1-16(2,3)11-7-10(8-12(13(11)22)17(4,5)6)14-20-15(19-9-18)23-21-14/h7-8,22H,1-6H3,(H,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description IC50 value against Prostaglandin G/H synthase 2 of murine J774A.1 cell line				J Med Chem 42: 1161-9 (1999) Article DOI: 10.1021/jm980570y BindingDB Entry DOI: 10.7270/Q2154G6N
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50044068 (CHEMBL15904 | N-[5-(3,5-Di-tert-butyl-4-hydroxy-be...) Show SMILES CN1C(NC(N)=N)=NC(=O)C1=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |w:11.12,c:6| Show InChI InChI=1S/C20H29N5O2/c1-19(2,3)12-8-11(9-13(15(12)26)20(4,5)6)10-14-16(27)23-18(25(14)7)24-17(21)22/h8-10,26H,1-7H3,(H4,21,22,23,24,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description IC50 against ovine Prostaglandin G/H synthase 1				J Med Chem 42: 1151-60 (1999) Article DOI: 10.1021/jm9805081 BindingDB Entry DOI: 10.7270/Q24X56Z3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50234334 (BENZYL 6-BENZYL-5,7-DIOXO-6,7-DIHYDRO-5H-[1,3]THIA...) Show SMILES O=C(OCc1ccccc1)c1cn2c(cc(=O)n(Cc3ccccc3)c2=O)s1 Show InChI InChI=1S/C21H16N2O4S/c24-18-11-19-23(21(26)22(18)12-15-7-3-1-4-8-15)13-17(28-19)20(25)27-14-16-9-5-2-6-10-16/h1-11,13H,12,14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13 catalytic domain				J Biol Chem 282: 27781-91 (2007) Article DOI: 10.1074/jbc.M703286200 BindingDB Entry DOI: 10.7270/Q2Z89C58
					More data for this Ligand-Target Pair				3D Structure (crystal)
Matrilysin (Homo sapiens (Human))	BDBM50062351 ((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of MMP7				J Biol Chem 282: 27781-91 (2007) Article DOI: 10.1074/jbc.M703286200 BindingDB Entry DOI: 10.7270/Q2Z89C58
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50075539 (3-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-[1,2,4]thia...) Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1nsc(NC#N)n1 Show InChI InChI=1S/C17H22N4OS/c1-16(2,3)11-7-10(8-12(13(11)22)17(4,5)6)14-20-15(19-9-18)23-21-14/h7-8,22H,1-6H3,(H,19,20,21)	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	47	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of recombinant human prostaglandin G/H synthase 2 (COX-2)				J Med Chem 42: 1161-9 (1999) Article DOI: 10.1021/jm980570y BindingDB Entry DOI: 10.7270/Q2154G6N
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50234334 (BENZYL 6-BENZYL-5,7-DIOXO-6,7-DIHYDRO-5H-[1,3]THIA...) Show SMILES O=C(OCc1ccccc1)c1cn2c(cc(=O)n(Cc3ccccc3)c2=O)s1 Show InChI InChI=1S/C21H16N2O4S/c24-18-11-19-23(21(26)22(18)12-15-7-3-1-4-8-15)13-17(28-19)20(25)27-14-16-9-5-2-6-10-16/h1-11,13H,12,14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant full length MMP13-mediated type 2 collagen cleavage				J Biol Chem 282: 27781-91 (2007) Article DOI: 10.1074/jbc.M703286200 BindingDB Entry DOI: 10.7270/Q2Z89C58
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50044059 (5-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-thiazo...) Show SMILES CC(C)(C)c1cc(\C=C2/SC(=O)NC2=O)cc(c1O)C(C)(C)C Show InChI InChI=1S/C18H23NO3S/c1-17(2,3)11-7-10(8-12(14(11)20)18(4,5)6)9-13-15(21)19-16(22)23-13/h7-9,20H,1-6H3,(H,19,21,22)/b13-9-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines.				J Med Chem 42: 1151-60 (1999) Article DOI: 10.1021/jm9805081 BindingDB Entry DOI: 10.7270/Q24X56Z3
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50075526 (3-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-[1,2,4]oxad...) Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1noc(NC#N)n1 Show InChI InChI=1S/C17H22N4O2/c1-16(2,3)11-7-10(8-12(13(11)22)17(4,5)6)14-20-15(19-9-18)23-21-14/h7-8,22H,1-6H3,(H,19,20,21)	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	64	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of recombinant human prostaglandin G/H synthase 2 (COX-2)				J Med Chem 42: 1161-9 (1999) Article DOI: 10.1021/jm980570y BindingDB Entry DOI: 10.7270/Q2154G6N
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50044080 (2-Amino-5-[1-(3,5-di-tert-butyl-4-hydroxy-phenyl)-...) Show SMILES CC(C)(C)c1cc(C=C2SC(N)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:11| Show InChI InChI=1S/C18H24N2O2S/c1-17(2,3)11-7-10(8-12(14(11)21)18(4,5)6)9-13-15(22)20-16(19)23-13/h7-9,21H,1-6H3,(H2,19,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines.				J Med Chem 42: 1151-60 (1999) Article DOI: 10.1021/jm9805081 BindingDB Entry DOI: 10.7270/Q24X56Z3
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50075527 (2,6-Di-tert-butyl-4-(5-ethoxy-[1,3,4]thiadiazol-2-...) Show SMILES CCOc1nnc(s1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C Show InChI InChI=1S/C18H26N2O2S/c1-8-22-16-20-19-15(23-16)11-9-12(17(2,3)4)14(21)13(10-11)18(5,6)7/h9-10,21H,8H2,1-7H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description IC50 value against Prostaglandin G/H synthase 2 of murine J774A.1 cell line				J Med Chem 42: 1161-9 (1999) Article DOI: 10.1021/jm980570y BindingDB Entry DOI: 10.7270/Q2154G6N
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50029616 (5-(4-Fluoro-phenyl)-1-(4-methanesulfonyl-phenyl)-3...) Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(F)cc1)C(F)(F)F Show InChI InChI=1S/C17H12F4N2O2S/c1-26(24,25)14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description IC50 value against Prostaglandin G/H synthase 2 of murine J774A.1 cell line				J Med Chem 42: 1161-9 (1999) Article DOI: 10.1021/jm980570y BindingDB Entry DOI: 10.7270/Q2154G6N
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50029616 (5-(4-Fluoro-phenyl)-1-(4-methanesulfonyl-phenyl)-3...) Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(F)cc1)C(F)(F)F Show InChI InChI=1S/C17H12F4N2O2S/c1-26(24,25)14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines.				J Med Chem 42: 1151-60 (1999) Article DOI: 10.1021/jm9805081 BindingDB Entry DOI: 10.7270/Q24X56Z3
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50044081 (5-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-oxazol...) Show SMILES CC(C)(C)c1cc(\C=C2/OC(=O)NC2=O)cc(c1O)C(C)(C)C Show InChI InChI=1S/C18H23NO4/c1-17(2,3)11-7-10(8-12(14(11)20)18(4,5)6)9-13-15(21)19-16(22)23-13/h7-9,20H,1-6H3,(H,19,21,22)/b13-9-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines.				J Med Chem 42: 1151-60 (1999) Article DOI: 10.1021/jm9805081 BindingDB Entry DOI: 10.7270/Q24X56Z3
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50075514 (5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...) Show SMILES CC(C)(C)c1cc(\C=C2/NC(=S)NC2=O)cc(c1O)C(C)(C)C Show InChI InChI=1S/C18H24N2O2S/c1-17(2,3)11-7-10(8-12(14(11)21)18(4,5)6)9-13-15(22)20-16(23)19-13/h7-9,21H,1-6H3,(H2,19,20,22,23)/b13-9-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines.				J Med Chem 42: 1151-60 (1999) Article DOI: 10.1021/jm9805081 BindingDB Entry DOI: 10.7270/Q24X56Z3
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50044081 (5-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-oxazol...) Show SMILES CC(C)(C)c1cc(\C=C2/OC(=O)NC2=O)cc(c1O)C(C)(C)C Show InChI InChI=1S/C18H23NO4/c1-17(2,3)11-7-10(8-12(14(11)20)18(4,5)6)9-13-15(21)19-16(22)23-13/h7-9,20H,1-6H3,(H,19,21,22)/b13-9-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description IC50 against ovine Prostaglandin G/H synthase 1				J Med Chem 42: 1151-60 (1999) Article DOI: 10.1021/jm9805081 BindingDB Entry DOI: 10.7270/Q24X56Z3
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50075519 (4,6-Di-tert-butyl-2-(5-methylsulfanyl-[1,3,4]thiad...) Show SMILES CSc1nnc(s1)-c1nc(c(O)c(n1)C(C)(C)C)C(C)(C)C Show InChI InChI=1S/C15H22N4OS2/c1-14(2,3)9-8(20)10(15(4,5)6)17-11(16-9)12-18-19-13(21-7)22-12/h20H,1-7H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description IC50 value against ovine Prostaglandin G/H synthase 1				J Med Chem 42: 1161-9 (1999) Article DOI: 10.1021/jm980570y BindingDB Entry DOI: 10.7270/Q2154G6N
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1/2 (RAT)	BDBM22971 (2-[(2,6-dichloro-3-methylphenyl)amino]benzoic acid...) Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C(O)=O)c1Cl Show InChI InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of Prostaglandin G/H synthase mediated PGF2-alpha formation in rat basophilic leukemia (RBL-1) cells				J Med Chem 36: 1802-10 (1993) BindingDB Entry DOI: 10.7270/Q2542MPQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1/2 (RAT)	BDBM22971 (2-[(2,6-dichloro-3-methylphenyl)amino]benzoic acid...) Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C(O)=O)c1Cl Show InChI InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated in an intact RBL-1 cell line for inhibition of 5-Cyclooxygenase				Bioorg Med Chem Lett 2: 69-72 (1992) Article DOI: 10.1016/S0960-894X(00)80657-5 BindingDB Entry DOI: 10.7270/Q29K4B4Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50046910 (4-(5-Amino-[1,3,4]thiadiazol-2-yl)-2,6-di-tert-but...) Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1nnc(N)s1 Show InChI InChI=1S/C16H23N3OS/c1-15(2,3)10-7-9(13-18-19-14(17)21-13)8-11(12(10)20)16(4,5)6/h7-8,20H,1-6H3,(H2,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description IC50 value against Prostaglandin G/H synthase 2 of murine J774A.1 cell line				J Med Chem 42: 1161-9 (1999) Article DOI: 10.1021/jm980570y BindingDB Entry DOI: 10.7270/Q2154G6N
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50075532 (2,6-Di-tert-butyl-4-(5-methylsulfanyl-[1,3,4]oxadi...) Show SMILES CSc1nnc(o1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C Show InChI InChI=1S/C17H24N2O2S/c1-16(2,3)11-8-10(14-18-19-15(21-14)22-7)9-12(13(11)20)17(4,5)6/h8-9,20H,1-7H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description IC50 value against Prostaglandin G/H synthase 2 of murine J774A.1 cell line				J Med Chem 42: 1161-9 (1999) Article DOI: 10.1021/jm980570y BindingDB Entry DOI: 10.7270/Q2154G6N
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50075535 (2,6-Di-tert-butyl-4-(5-ethylsulfanyl-[1,3,4]thiadi...) Show SMILES CCSc1nnc(s1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C Show InChI InChI=1S/C18H26N2OS2/c1-8-22-16-20-19-15(23-16)11-9-12(17(2,3)4)14(21)13(10-11)18(5,6)7/h9-10,21H,8H2,1-7H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of recombinant human prostaglandin G/H synthase 2 (COX-2)				J Med Chem 42: 1161-9 (1999) Article DOI: 10.1021/jm980570y BindingDB Entry DOI: 10.7270/Q2154G6N
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50046902 (2,6-Di-tert-butyl-4-(5-methylsulfanyl-[1,3,4]thiad...) Show SMILES CSc1nnc(s1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C Show InChI InChI=1S/C17H24N2OS2/c1-16(2,3)11-8-10(14-18-19-15(21-7)22-14)9-12(13(11)20)17(4,5)6/h8-9,20H,1-7H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of recombinant human prostaglandin G/H synthase 2 (COX-2)				J Med Chem 42: 1161-9 (1999) Article DOI: 10.1021/jm980570y BindingDB Entry DOI: 10.7270/Q2154G6N
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50044075 (5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...) Show SMILES CC(C)(C)c1cc(C=C2SC(NO)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:12| Show InChI InChI=1S/C18H24N2O3S/c1-17(2,3)11-7-10(8-12(14(11)21)18(4,5)6)9-13-15(22)19-16(20-23)24-13/h7-9,21,23H,1-6H3,(H,19,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines.				J Med Chem 42: 1151-60 (1999) Article DOI: 10.1021/jm9805081 BindingDB Entry DOI: 10.7270/Q24X56Z3
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50075510 (5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)...) Show SMILES CONC1=NC(=O)C(S1)=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C |w:9.10,t:3| Show InChI InChI=1S/C19H26N2O3S/c1-18(2,3)12-8-11(9-13(15(12)22)19(4,5)6)10-14-16(23)20-17(25-14)21-24-7/h8-10,22H,1-7H3,(H,20,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines.				J Med Chem 42: 1151-60 (1999) Article DOI: 10.1021/jm9805081 BindingDB Entry DOI: 10.7270/Q24X56Z3
					More data for this Ligand-Target Pair

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