Found 30 hits of Enzyme Inhibition Constant Data 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 |
|---|
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50288331
(4-(7,8-Difluoro-3-trifluoromethyl-5H-isothiochrome...)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(c2SCc3cc(F)c(F)cc3-c12)C(F)(F)F Show InChI InChI=1S/C17H10F5N3O2S2/c18-12-5-8-7-28-15-14(11(8)6-13(12)19)25(24-16(15)17(20,21)22)9-1-3-10(4-2-9)29(23,26)27/h1-6H,7H2,(H2,23,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Prostaglandin G/H synthase 2 (COX-2) |
Bioorg Med Chem Lett 6: 2827-2830 (1996)
Article DOI: 10.1016/S0960-894X(96)00530-6
BindingDB Entry DOI: 10.7270/Q2GX4BJ3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50288322
(4-(8-Fluoro-7-methoxy-3-trifluoromethyl-5H-isothio...)Show SMILES COc1cc2CSc3c(nn(c3-c2cc1F)-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C18H13F4N3O3S2/c1-28-14-6-9-8-29-16-15(12(9)7-13(14)19)25(24-17(16)18(20,21)22)10-2-4-11(5-3-10)30(23,26)27/h2-7H,8H2,1H3,(H2,23,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Prostaglandin G/H synthase 2 (COX-2) |
Bioorg Med Chem Lett 6: 2827-2830 (1996)
Article DOI: 10.1016/S0960-894X(96)00530-6
BindingDB Entry DOI: 10.7270/Q2GX4BJ3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50288325
(4-(7-Methoxy-3-trifluoromethyl-5H-isothiochromeno[...)Show SMILES COc1ccc2-c3c(SCc2c1)c(nn3-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C18H14F3N3O3S2/c1-27-12-4-7-14-10(8-12)9-28-16-15(14)24(23-17(16)18(19,20)21)11-2-5-13(6-3-11)29(22,25)26/h2-8H,9H2,1H3,(H2,22,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Prostaglandin G/H synthase 2 (COX-2) |
Bioorg Med Chem Lett 6: 2827-2830 (1996)
Article DOI: 10.1016/S0960-894X(96)00530-6
BindingDB Entry DOI: 10.7270/Q2GX4BJ3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50288333
(4-(8-Fluoro-7-methyl-3-trifluoromethyl-5H-isothioc...)Show SMILES Cc1cc2CSc3c(nn(c3-c2cc1F)-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C18H13F4N3O2S2/c1-9-6-10-8-28-16-15(13(10)7-14(9)19)25(24-17(16)18(20,21)22)11-2-4-12(5-3-11)29(23,26)27/h2-7H,8H2,1H3,(H2,23,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Prostaglandin G/H synthase 2 (COX-2) |
Bioorg Med Chem Lett 6: 2827-2830 (1996)
Article DOI: 10.1016/S0960-894X(96)00530-6
BindingDB Entry DOI: 10.7270/Q2GX4BJ3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50288323
(4-(3-Trifluoromethyl-5H-isothiochromeno[4,3-c]pyra...)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(c2SCc3ccccc3-c12)C(F)(F)F Show InChI InChI=1S/C17H12F3N3O2S2/c18-17(19,20)16-15-14(13-4-2-1-3-10(13)9-26-15)23(22-16)11-5-7-12(8-6-11)27(21,24)25/h1-8H,9H2,(H2,21,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Prostaglandin G/H synthase 2 (COX-2) |
Bioorg Med Chem Lett 6: 2827-2830 (1996)
Article DOI: 10.1016/S0960-894X(96)00530-6
BindingDB Entry DOI: 10.7270/Q2GX4BJ3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50288334
(4-(8-Fluoro-3-trifluoromethyl-5H-isothiochromeno[4...)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(c2SCc3ccc(F)cc3-c12)C(F)(F)F Show InChI InChI=1S/C17H11F4N3O2S2/c18-10-2-1-9-8-27-15-14(13(9)7-10)24(23-16(15)17(19,20)21)11-3-5-12(6-4-11)28(22,25)26/h1-7H,8H2,(H2,22,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Prostaglandin G/H synthase 2 (COX-2) |
Bioorg Med Chem Lett 6: 2827-2830 (1996)
Article DOI: 10.1016/S0960-894X(96)00530-6
BindingDB Entry DOI: 10.7270/Q2GX4BJ3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50288329
(4-(7-Methyl-3-trifluoromethyl-5H-isothiochromeno[4...)Show SMILES Cc1ccc2-c3c(SCc2c1)c(nn3-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C18H14F3N3O2S2/c1-10-2-7-14-11(8-10)9-27-16-15(14)24(23-17(16)18(19,20)21)12-3-5-13(6-4-12)28(22,25)26/h2-8H,9H2,1H3,(H2,22,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Prostaglandin G/H synthase 2 (COX-2) |
Bioorg Med Chem Lett 6: 2827-2830 (1996)
Article DOI: 10.1016/S0960-894X(96)00530-6
BindingDB Entry DOI: 10.7270/Q2GX4BJ3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50288321
(4-(3-Difluoromethyl-8-fluoro-7-methoxy-5H-isothioc...)Show SMILES COc1cc2CSc3c(nn(c3-c2cc1F)-c1ccc(cc1)S(N)(=O)=O)C(F)F Show InChI InChI=1S/C18H14F3N3O3S2/c1-27-14-6-9-8-28-17-15(18(20)21)23-24(16(17)12(9)7-13(14)19)10-2-4-11(5-3-10)29(22,25)26/h2-7,18H,8H2,1H3,(H2,22,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Prostaglandin G/H synthase 2 (COX-2) |
Bioorg Med Chem Lett 6: 2827-2830 (1996)
Article DOI: 10.1016/S0960-894X(96)00530-6
BindingDB Entry DOI: 10.7270/Q2GX4BJ3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50288330
(4-(7-Fluoro-3-trifluoromethyl-5H-isothiochromeno[4...)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(c2SCc3cc(F)ccc3-c12)C(F)(F)F Show InChI InChI=1S/C17H11F4N3O2S2/c18-10-1-6-13-9(7-10)8-27-15-14(13)24(23-16(15)17(19,20)21)11-2-4-12(5-3-11)28(22,25)26/h1-7H,8H2,(H2,22,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Prostaglandin G/H synthase 2 (COX-2) |
Bioorg Med Chem Lett 6: 2827-2830 (1996)
Article DOI: 10.1016/S0960-894X(96)00530-6
BindingDB Entry DOI: 10.7270/Q2GX4BJ3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50288326
(8-Fluoro-1-(4-methanesulfonyl-phenyl)-7-methoxy-3-...)Show SMILES COc1cc2CSc3c(nn(c3-c2cc1F)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C19H14F4N2O3S2/c1-28-15-7-10-9-29-17-16(13(10)8-14(15)20)25(24-18(17)19(21,22)23)11-3-5-12(6-4-11)30(2,26)27/h3-8H,9H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Prostaglandin G/H synthase 2 (COX-2) |
Bioorg Med Chem Lett 6: 2827-2830 (1996)
Article DOI: 10.1016/S0960-894X(96)00530-6
BindingDB Entry DOI: 10.7270/Q2GX4BJ3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50288324
(4-(3-Cyano-7-fluoro-5H-isothiochromeno[4,3-c]pyraz...)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(C#N)c2SCc3cc(F)ccc3-c12 Show InChI InChI=1S/C17H11FN4O2S2/c18-11-1-6-14-10(7-11)9-25-17-15(8-19)21-22(16(14)17)12-2-4-13(5-3-12)26(20,23)24/h1-7H,9H2,(H2,20,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Prostaglandin G/H synthase 2 (COX-2) |
Bioorg Med Chem Lett 6: 2827-2830 (1996)
Article DOI: 10.1016/S0960-894X(96)00530-6
BindingDB Entry DOI: 10.7270/Q2GX4BJ3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50288330
(4-(7-Fluoro-3-trifluoromethyl-5H-isothiochromeno[4...)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(c2SCc3cc(F)ccc3-c12)C(F)(F)F Show InChI InChI=1S/C17H11F4N3O2S2/c18-10-1-6-13-9(7-10)8-27-15-14(13)24(23-16(15)17(19,20)21)11-2-4-12(5-3-11)28(22,25)26/h1-7H,8H2,(H2,22,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Prostaglandin G/H synthase 1 (COX-1) |
Bioorg Med Chem Lett 6: 2827-2830 (1996)
Article DOI: 10.1016/S0960-894X(96)00530-6
BindingDB Entry DOI: 10.7270/Q2GX4BJ3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50288325
(4-(7-Methoxy-3-trifluoromethyl-5H-isothiochromeno[...)Show SMILES COc1ccc2-c3c(SCc2c1)c(nn3-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C18H14F3N3O3S2/c1-27-12-4-7-14-10(8-12)9-28-16-15(14)24(23-17(16)18(19,20)21)11-2-5-13(6-3-11)29(22,25)26/h2-8H,9H2,1H3,(H2,22,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Prostaglandin G/H synthase 1 (COX-1) |
Bioorg Med Chem Lett 6: 2827-2830 (1996)
Article DOI: 10.1016/S0960-894X(96)00530-6
BindingDB Entry DOI: 10.7270/Q2GX4BJ3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50288323
(4-(3-Trifluoromethyl-5H-isothiochromeno[4,3-c]pyra...)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(c2SCc3ccccc3-c12)C(F)(F)F Show InChI InChI=1S/C17H12F3N3O2S2/c18-17(19,20)16-15-14(13-4-2-1-3-10(13)9-26-15)23(22-16)11-5-7-12(8-6-11)27(21,24)25/h1-8H,9H2,(H2,21,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Prostaglandin G/H synthase 1 (COX-1) |
Bioorg Med Chem Lett 6: 2827-2830 (1996)
Article DOI: 10.1016/S0960-894X(96)00530-6
BindingDB Entry DOI: 10.7270/Q2GX4BJ3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50288327
(4-(3-Trifluoromethyl-4H-thiochromeno[4,3-c]pyrazol...)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(c2CSc3ccccc3-c12)C(F)(F)F Show InChI InChI=1S/C17H12F3N3O2S2/c18-17(19,20)16-13-9-26-14-4-2-1-3-12(14)15(13)23(22-16)10-5-7-11(8-6-10)27(21,24)25/h1-8H,9H2,(H2,21,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Prostaglandin G/H synthase 2 (COX-2) |
Bioorg Med Chem Lett 6: 2827-2830 (1996)
Article DOI: 10.1016/S0960-894X(96)00530-6
BindingDB Entry DOI: 10.7270/Q2GX4BJ3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50288324
(4-(3-Cyano-7-fluoro-5H-isothiochromeno[4,3-c]pyraz...)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(C#N)c2SCc3cc(F)ccc3-c12 Show InChI InChI=1S/C17H11FN4O2S2/c18-11-1-6-14-10(7-11)9-25-17-15(8-19)21-22(16(14)17)12-2-4-13(5-3-12)26(20,23)24/h1-7H,9H2,(H2,20,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 760 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Prostaglandin G/H synthase 1 (COX-1) |
Bioorg Med Chem Lett 6: 2827-2830 (1996)
Article DOI: 10.1016/S0960-894X(96)00530-6
BindingDB Entry DOI: 10.7270/Q2GX4BJ3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50288329
(4-(7-Methyl-3-trifluoromethyl-5H-isothiochromeno[4...)Show SMILES Cc1ccc2-c3c(SCc2c1)c(nn3-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C18H14F3N3O2S2/c1-10-2-7-14-11(8-10)9-27-16-15(14)24(23-17(16)18(19,20)21)12-3-5-13(6-4-12)28(22,25)26/h2-8H,9H2,1H3,(H2,22,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 790 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Prostaglandin G/H synthase 1 (COX-1) |
Bioorg Med Chem Lett 6: 2827-2830 (1996)
Article DOI: 10.1016/S0960-894X(96)00530-6
BindingDB Entry DOI: 10.7270/Q2GX4BJ3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50288335
(4-(3-Trifluoromethyl-4,5-dihydro-benzo[g]indazol-1...)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(c2CCc3ccccc3-c12)C(F)(F)F Show InChI InChI=1S/C18H14F3N3O2S/c19-18(20,21)17-15-10-5-11-3-1-2-4-14(11)16(15)24(23-17)12-6-8-13(9-7-12)27(22,25)26/h1-4,6-9H,5,10H2,(H2,22,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Prostaglandin G/H synthase 2 (COX-2) |
Bioorg Med Chem Lett 6: 2827-2830 (1996)
Article DOI: 10.1016/S0960-894X(96)00530-6
BindingDB Entry DOI: 10.7270/Q2GX4BJ3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50288332
(4-(3-Trifluoromethyl-4H-chromeno[4,3-c]pyrazol-1-y...)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(c2COc3ccccc3-c12)C(F)(F)F Show InChI InChI=1S/C17H12F3N3O3S/c18-17(19,20)16-13-9-26-14-4-2-1-3-12(14)15(13)23(22-16)10-5-7-11(8-6-10)27(21,24)25/h1-8H,9H2,(H2,21,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 1.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Prostaglandin G/H synthase 2 (COX-2) |
Bioorg Med Chem Lett 6: 2827-2830 (1996)
Article DOI: 10.1016/S0960-894X(96)00530-6
BindingDB Entry DOI: 10.7270/Q2GX4BJ3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50288328
(4-(8-Fluoro-7-methoxy-4-oxo-3-trifluoromethyl-4,5-...)Show SMILES COc1cc2CS(=O)c3c(nn(c3-c2cc1F)-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C18H13F4N3O4S2/c1-29-14-6-9-8-30(26)16-15(12(9)7-13(14)19)25(24-17(16)18(20,21)22)10-2-4-11(5-3-10)31(23,27)28/h2-7H,8H2,1H3,(H2,23,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Prostaglandin G/H synthase 2 (COX-2) |
Bioorg Med Chem Lett 6: 2827-2830 (1996)
Article DOI: 10.1016/S0960-894X(96)00530-6
BindingDB Entry DOI: 10.7270/Q2GX4BJ3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50288331
(4-(7,8-Difluoro-3-trifluoromethyl-5H-isothiochrome...)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(c2SCc3cc(F)c(F)cc3-c12)C(F)(F)F Show InChI InChI=1S/C17H10F5N3O2S2/c18-12-5-8-7-28-15-14(11(8)6-13(12)19)25(24-16(15)17(20,21)22)9-1-3-10(4-2-9)29(23,26)27/h1-6H,7H2,(H2,23,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Prostaglandin G/H synthase 1 (COX-1) |
Bioorg Med Chem Lett 6: 2827-2830 (1996)
Article DOI: 10.1016/S0960-894X(96)00530-6
BindingDB Entry DOI: 10.7270/Q2GX4BJ3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50288322
(4-(8-Fluoro-7-methoxy-3-trifluoromethyl-5H-isothio...)Show SMILES COc1cc2CSc3c(nn(c3-c2cc1F)-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C18H13F4N3O3S2/c1-28-14-6-9-8-29-16-15(12(9)7-13(14)19)25(24-17(16)18(20,21)22)10-2-4-11(5-3-10)30(23,26)27/h2-7H,8H2,1H3,(H2,23,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Prostaglandin G/H synthase 1 (COX-1) |
Bioorg Med Chem Lett 6: 2827-2830 (1996)
Article DOI: 10.1016/S0960-894X(96)00530-6
BindingDB Entry DOI: 10.7270/Q2GX4BJ3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50288334
(4-(8-Fluoro-3-trifluoromethyl-5H-isothiochromeno[4...)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(c2SCc3ccc(F)cc3-c12)C(F)(F)F Show InChI InChI=1S/C17H11F4N3O2S2/c18-10-2-1-9-8-27-15-14(13(9)7-10)24(23-16(15)17(19,20)21)11-3-5-12(6-4-11)28(22,25)26/h1-7H,8H2,(H2,22,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 6.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Prostaglandin G/H synthase 1 (COX-1) |
Bioorg Med Chem Lett 6: 2827-2830 (1996)
Article DOI: 10.1016/S0960-894X(96)00530-6
BindingDB Entry DOI: 10.7270/Q2GX4BJ3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50288332
(4-(3-Trifluoromethyl-4H-chromeno[4,3-c]pyrazol-1-y...)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(c2COc3ccccc3-c12)C(F)(F)F Show InChI InChI=1S/C17H12F3N3O3S/c18-17(19,20)16-13-9-26-14-4-2-1-3-12(14)15(13)23(22-16)10-5-7-11(8-6-10)27(21,24)25/h1-8H,9H2,(H2,21,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Prostaglandin G/H synthase 1 (COX-1) |
Bioorg Med Chem Lett 6: 2827-2830 (1996)
Article DOI: 10.1016/S0960-894X(96)00530-6
BindingDB Entry DOI: 10.7270/Q2GX4BJ3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50288327
(4-(3-Trifluoromethyl-4H-thiochromeno[4,3-c]pyrazol...)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(c2CSc3ccccc3-c12)C(F)(F)F Show InChI InChI=1S/C17H12F3N3O2S2/c18-17(19,20)16-13-9-26-14-4-2-1-3-12(14)15(13)23(22-16)10-5-7-11(8-6-10)27(21,24)25/h1-8H,9H2,(H2,21,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
| n/a | n/a | 9.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Prostaglandin G/H synthase 1 (COX-1) |
Bioorg Med Chem Lett 6: 2827-2830 (1996)
Article DOI: 10.1016/S0960-894X(96)00530-6
BindingDB Entry DOI: 10.7270/Q2GX4BJ3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50288333
(4-(8-Fluoro-7-methyl-3-trifluoromethyl-5H-isothioc...)Show SMILES Cc1cc2CSc3c(nn(c3-c2cc1F)-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C18H13F4N3O2S2/c1-9-6-10-8-28-16-15(13(10)7-14(9)19)25(24-17(16)18(20,21)22)11-2-4-12(5-3-11)29(23,26)27/h2-7H,8H2,1H3,(H2,23,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.11E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Prostaglandin G/H synthase 1 (COX-1) |
Bioorg Med Chem Lett 6: 2827-2830 (1996)
Article DOI: 10.1016/S0960-894X(96)00530-6
BindingDB Entry DOI: 10.7270/Q2GX4BJ3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50288335
(4-(3-Trifluoromethyl-4,5-dihydro-benzo[g]indazol-1...)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(c2CCc3ccccc3-c12)C(F)(F)F Show InChI InChI=1S/C18H14F3N3O2S/c19-18(20,21)17-15-10-5-11-3-1-2-4-14(11)16(15)24(23-17)12-6-8-13(9-7-12)27(22,25)26/h1-4,6-9H,5,10H2,(H2,22,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 1.36E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Prostaglandin G/H synthase 1 (COX-1) |
Bioorg Med Chem Lett 6: 2827-2830 (1996)
Article DOI: 10.1016/S0960-894X(96)00530-6
BindingDB Entry DOI: 10.7270/Q2GX4BJ3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50288328
(4-(8-Fluoro-7-methoxy-4-oxo-3-trifluoromethyl-4,5-...)Show SMILES COc1cc2CS(=O)c3c(nn(c3-c2cc1F)-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C18H13F4N3O4S2/c1-29-14-6-9-8-30(26)16-15(12(9)7-13(14)19)25(24-17(16)18(20,21)22)10-2-4-11(5-3-10)31(23,27)28/h2-7H,8H2,1H3,(H2,23,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Prostaglandin G/H synthase 1 (COX-1) |
Bioorg Med Chem Lett 6: 2827-2830 (1996)
Article DOI: 10.1016/S0960-894X(96)00530-6
BindingDB Entry DOI: 10.7270/Q2GX4BJ3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50288326
(8-Fluoro-1-(4-methanesulfonyl-phenyl)-7-methoxy-3-...)Show SMILES COc1cc2CSc3c(nn(c3-c2cc1F)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C19H14F4N2O3S2/c1-28-15-7-10-9-29-17-16(13(10)8-14(15)20)25(24-18(17)19(21,22)23)11-3-5-12(6-4-11)30(2,26)27/h3-8H,9H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Prostaglandin G/H synthase 1 (COX-1) |
Bioorg Med Chem Lett 6: 2827-2830 (1996)
Article DOI: 10.1016/S0960-894X(96)00530-6
BindingDB Entry DOI: 10.7270/Q2GX4BJ3 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50288321
(4-(3-Difluoromethyl-8-fluoro-7-methoxy-5H-isothioc...)Show SMILES COc1cc2CSc3c(nn(c3-c2cc1F)-c1ccc(cc1)S(N)(=O)=O)C(F)F Show InChI InChI=1S/C18H14F3N3O3S2/c1-27-14-6-9-8-28-17-15(18(20)21)23-24(16(17)12(9)7-13(14)19)10-2-4-11(5-3-10)29(22,25)26/h2-7,18H,8H2,1H3,(H2,22,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Prostaglandin G/H synthase 1 (COX-1) |
Bioorg Med Chem Lett 6: 2827-2830 (1996)
Article DOI: 10.1016/S0960-894X(96)00530-6
BindingDB Entry DOI: 10.7270/Q2GX4BJ3 |
More data for this
Ligand-Target Pair | |
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