Compile Data Set for Download or QSAR
Found 9319 Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2'
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM11639(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
Affinity DataKi:  0.470nMAssay Description:Inhibition of human recombinant COX-2 using arachidonic acid as substrate preincubated for 60 mins followed by substrate addition for 2 secs by ADPH ...More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50566910(CHEMBL4870569)
Show SMILES CCCCOc1nc(OCC2(O)CCC2)c(cc1CO)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C22H29NO6S/c1-3-4-12-28-20-17(14-24)13-19(16-6-8-18(9-7-16)30(2,26)27)21(23-20)29-15-22(25)10-5-11-22/h6-9,13,24-25H,3-5,10-12,14-15H2,1-2H3
Affinity DataKi:  3nMAssay Description:Inhibition of human recombinant COX-2 using arachidonic acid as substrate preincubated for 60 mins followed by substrate addition for 2 secs by ADPH ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50089653(CHEMBL3576974)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(O)=O)c2ccccc12
Affinity DataKi:  5nMAssay Description:Competitive inhibition of human recombinant COX-2 by UV-Visible spectrophotometryMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50174201(ARTHROTEC | DICLOFENAC SODIUM | GP 45840 | SOLARAZ...)
Show SMILES [O-]C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)/p-1
Affinity DataKi:  10nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50566912(CHEMBL4859571)
Show SMILES CC(C)(O)COc1nc(OCCCC(F)(F)F)c(CO)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H26F3NO6S/c1-20(2,27)13-31-19-17(14-5-7-16(8-6-14)32(3,28)29)11-15(12-26)18(25-19)30-10-4-9-21(22,23)24/h5-8,11,26-27H,4,9-10,12-13H2,1-3H3
Affinity DataKi:  12nMAssay Description:Inhibition of human recombinant COX-2 using arachidonic acid as substrate preincubated for 60 mins followed by substrate addition for 2 secs by ADPH ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50566901(CHEMBL4865464)
Show SMILES CCCCOc1nc(OCC(C)(C)O)c(cc1CO)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H29NO6S/c1-5-6-11-27-19-16(13-23)12-18(20(22-19)28-14-21(2,3)24)15-7-9-17(10-8-15)29(4,25)26/h7-10,12,23-24H,5-6,11,13-14H2,1-4H3
Affinity DataKi:  12nMAssay Description:Inhibition of human recombinant COX-2 using arachidonic acid as substrate preincubated for 60 mins followed by substrate addition for 2 secs by ADPH ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50089655(CHEMBL3576976)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2ccccc12
Affinity DataKi:  12nMAssay Description:Competitive inhibition of human recombinant COX-2 by UV-Visible spectrophotometryMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50566913(CHEMBL4857474)
Show SMILES CCCCOc1nc(OCC(C)(C)O)c(cc1CO)-c1ccc(cn1)S(N)(=O)=O
Show InChI InChI=1S/C19H27N3O6S/c1-4-5-8-27-17-13(11-23)9-15(18(22-17)28-12-19(2,3)24)16-7-6-14(10-21-16)29(20,25)26/h6-7,9-10,23-24H,4-5,8,11-12H2,1-3H3,(H2,20,25,26)
Affinity DataKi:  19nMAssay Description:Inhibition of human recombinant COX-2 using arachidonic acid as substrate preincubated for 60 mins followed by substrate addition for 2 secs by ADPH ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50174201(ARTHROTEC | DICLOFENAC SODIUM | GP 45840 | SOLARAZ...)
Show SMILES [O-]C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)/p-1
Affinity DataKi:  20nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50566911(CHEMBL4868446)
Show SMILES CC(C)(O)COc1nc(OCCC(F)(F)F)c(CO)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H24F3NO6S/c1-19(2,26)12-30-18-16(13-4-6-15(7-5-13)31(3,27)28)10-14(11-25)17(24-18)29-9-8-20(21,22)23/h4-7,10,25-26H,8-9,11-12H2,1-3H3
Affinity DataKi:  32nMAssay Description:Inhibition of human recombinant COX-2 using arachidonic acid as substrate preincubated for 60 mins followed by substrate addition for 2 secs by ADPH ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50174201(ARTHROTEC | DICLOFENAC SODIUM | GP 45840 | SOLARAZ...)
Show SMILES [O-]C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)/p-1
Affinity DataKi:  38nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM85243(2-VALERYLOXYBENZOIC ACID | CAS_64206-54-8 | valery...)
Show SMILES CCCCC(=O)Oc1ccccc1C(O)=O
Show InChI InChI=1S/C12H14O4/c1-2-3-8-11(13)16-10-7-5-4-6-9(10)12(14)15/h4-7H,2-3,8H2,1H3,(H,14,15)
Affinity DataKi:  40nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50029593(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
Affinity DataKi:  42nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50174201(ARTHROTEC | DICLOFENAC SODIUM | GP 45840 | SOLARAZ...)
Show SMILES [O-]C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)/p-1
Affinity DataKi:  50nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50174201(ARTHROTEC | DICLOFENAC SODIUM | GP 45840 | SOLARAZ...)
Show SMILES [O-]C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)/p-1
Affinity DataKi:  50nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50072064(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Show SMILES Cc1ccc(cn1)-c1ncc(Cl)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3
Affinity DataKi:  69nMAssay Description:Inhibition of human recombinant COX-2 using arachidonic acid as substrate preincubated for 60 mins followed by substrate addition for 2 secs by ADPH ...More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM85511(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
Show SMILES OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1
Show InChI InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)
Affinity DataKi:  75nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM85511(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
Show SMILES OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1
Show InChI InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)
Affinity DataKi:  86nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50027952(5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acet...)
Show SMILES Cc1cc(CC(O)=O)n(C)c1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H14ClNO3/c1-9-7-12(8-13(18)19)17(2)14(9)15(20)10-3-5-11(16)6-4-10/h3-7H,8H2,1-2H3,(H,18,19)
Affinity DataKi:  96nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50089651(CHEMBL3576979)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC(O)=O)c2ccccc12
Affinity DataKi:  109nMAssay Description:Competitive inhibition of human recombinant COX-2 by UV-Visible spectrophotometryMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50566900(CHEMBL4862802)
Show SMILES CCCOc1nc(OCC(C)(C)O)c(cc1CO)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H27NO6S/c1-5-10-26-18-15(12-22)11-17(19(21-18)27-13-20(2,3)23)14-6-8-16(9-7-14)28(4,24)25/h6-9,11,22-23H,5,10,12-13H2,1-4H3
Affinity DataKi:  114nMAssay Description:Inhibition of human recombinant COX-2 using arachidonic acid as substrate preincubated for 60 mins followed by substrate addition for 2 secs by ADPH ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM17638(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)
Affinity DataKi:  130nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
Affinity DataKi:  130nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50134036(2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)
Show SMILES Cc1cccc(Nc2ccccc2C(O)=O)c1C
Show InChI InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
Affinity DataKi:  160nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM85245(CAS_36322-90-4 | NSC_4856 | PIROXICAM | Piroxicam)
Show SMILES CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)
Affinity DataKi:  170nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50022772(CHEMBL1025 | Diisopropoxyphosphoryl fluoride | Dii...)
Show SMILES CC(C)OP(F)(=O)OC(C)C
Show InChI InChI=1S/C6H14FO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3
Affinity DataKi:  170nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50056999(CHEMBL56367 | nimesulide)
Show SMILES CS(=O)(=O)Nc1ccc(cc1Oc1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3
Affinity DataKi:  180nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM85511(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
Show SMILES OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1
Show InChI InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)
Affinity DataKi:  180nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM22971(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)
Affinity DataKi:  200nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50056998(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES CN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19)
Affinity DataKi:  230nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50022271(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
Show SMILES CC(C(O)=O)c1cccc(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)
Affinity DataKi:  240nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM22369(4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1
Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
Affinity DataKi:  310nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50207446(2-(2-(2-chloro-6-fluorophenylamino)-5-methylphenyl...)
Show SMILES Cc1ccc(Nc2c(F)cccc2Cl)c(CC(O)=O)c1
Show InChI InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)
Affinity DataKi:  320nMAssay Description:Inhibition of human COX2 preincubated before addition of [1-14C]arachidonic acidMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM85512(CAS_76145-76-1 | NSC_53454 | Tomoxiprol)
Show SMILES COc1ccc(cc1)-c1nc2c([nH]1)c(cc1ccccc21)C(C)C
Show InChI InChI=1S/C21H20N2O/c1-13(2)18-12-15-6-4-5-7-17(15)19-20(18)23-21(22-19)14-8-10-16(24-3)11-9-14/h4-13H,1-3H3,(H,22,23)
Affinity DataKi:  320nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM22369(4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1
Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
Affinity DataKi:  340nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM11639(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
Affinity DataKi:  340nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50029593(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
Affinity DataKi:  350nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM17638(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)
Affinity DataKi:  370nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50056999(CHEMBL56367 | nimesulide)
Show SMILES CS(=O)(=O)Nc1ccc(cc1Oc1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3
Affinity DataKi:  390nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM17638(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)
Affinity DataKi:  400nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM17638(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)
Affinity DataKi:  400nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM22369(4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1
Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
Affinity DataKi:  400nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM17638(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)
Affinity DataKi:  440nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM17638(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)
Affinity DataKi:  440nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Ovis aries (Sheep))
Indian Institute of Technology (Banaras Hindu University)

LigandPNGBDBM11639(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
Affinity DataKi:  490nMAssay Description:The enzyme kinetics were determined, wherein the arachidonic acid substrate either in the absence or presence of selected derivatives were evaluated ...More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Ovis aries (Sheep))
Indian Institute of Technology (Banaras Hindu University)

LigandPNGBDBM198173(2-((5-(4-Nitrophenylamino)-1,3,4-oxadiazol-2-yl)me...)
Show SMILES [O-][N+](=O)c1ccc(Nc2nnc(Cn3nc(-c4ccccc4)c(nc3=O)-c3ccccc3)o2)cc1
Show InChI InChI=1S/C24H17N7O4/c32-24-26-21(16-7-3-1-4-8-16)22(17-9-5-2-6-10-17)29-30(24)15-20-27-28-23(35-20)25-18-11-13-19(14-12-18)31(33)34/h1-14H,15H2,(H,25,28)
Affinity DataKi:  500nMAssay Description:The enzyme kinetics were determined, wherein the arachidonic acid substrate either in the absence or presence of selected derivatives were evaluated ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM22369(4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1
Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
Affinity DataKi:  530nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM22369(4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1
Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
Affinity DataKi:  530nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM50056999(CHEMBL56367 | nimesulide)
Show SMILES CS(=O)(=O)Nc1ccc(cc1Oc1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3
Affinity DataKi:  560nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Janssen Research and Development

Curated by ChEMBL
LigandPNGBDBM17638(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)
Affinity DataKi:  600nMMore data for this Ligand-Target Pair
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