Found 7 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)) | BDBM50272095
(4-(3-(4-methoxyphenyl)-1H-indol-2-yl)benzenesulfon...)Show SMILES COc1ccc(cc1)-c1c([nH]c2ccccc12)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C21H18N2O3S/c1-26-16-10-6-14(7-11-16)20-18-4-2-3-5-19(18)23-21(20)15-8-12-17(13-9-15)27(22,24)25/h2-13,23H,1H3,(H2,22,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Helmholtz-Zentrum Dresden-Rossendorf
Curated by ChEMBL
| Assay Description
Inhibition of COX2 |
Bioorg Med Chem 20: 3410-21 (2012)
Article DOI: 10.1016/j.bmc.2012.04.022
BindingDB Entry DOI: 10.7270/Q2RF5W3X |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50272096
(3-(4-methoxyphenyl)-2-(4-(methylsulfonyl)phenyl)-1...)Show SMILES COc1ccc(cc1)-c1c([nH]c2ccccc12)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C22H19NO3S/c1-26-17-11-7-15(8-12-17)21-19-5-3-4-6-20(19)23-22(21)16-9-13-18(14-10-16)27(2,24)25/h3-14,23H,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
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Helmholtz-Zentrum Dresden-Rossendorf
Curated by ChEMBL
| Assay Description
Inhibition of COX2 |
Bioorg Med Chem 20: 3410-21 (2012)
Article DOI: 10.1016/j.bmc.2012.04.022
BindingDB Entry DOI: 10.7270/Q2RF5W3X |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50272131
(3-(4-fluorophenyl)-2-(4-(methylsulfonyl)phenyl)-1H...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c2ccccc2c1-c1ccc(F)cc1 Show InChI InChI=1S/C21H16FNO2S/c1-26(24,25)17-12-8-15(9-13-17)21-20(14-6-10-16(22)11-7-14)18-4-2-3-5-19(18)23-21/h2-13,23H,1H3 | 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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Helmholtz-Zentrum Dresden-Rossendorf
Curated by ChEMBL
| Assay Description
Inhibition of COX2 |
Bioorg Med Chem 20: 3410-21 (2012)
Article DOI: 10.1016/j.bmc.2012.04.022
BindingDB Entry DOI: 10.7270/Q2RF5W3X |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM11639
(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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Helmholtz-Zentrum Dresden-Rossendorf
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant COX2 by enzymatic fluorescence assay |
Bioorg Med Chem 20: 3410-21 (2012)
Article DOI: 10.1016/j.bmc.2012.04.022
BindingDB Entry DOI: 10.7270/Q2RF5W3X |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50272131
(3-(4-fluorophenyl)-2-(4-(methylsulfonyl)phenyl)-1H...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c2ccccc2c1-c1ccc(F)cc1 Show InChI InChI=1S/C21H16FNO2S/c1-26(24,25)17-12-8-15(9-13-17)21-20(14-6-10-16(22)11-7-14)18-4-2-3-5-19(18)23-21/h2-13,23H,1H3 | 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 | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Helmholtz-Zentrum Dresden-Rossendorf
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant COX2 by enzymatic fluorescence assay |
Bioorg Med Chem 20: 3410-21 (2012)
Article DOI: 10.1016/j.bmc.2012.04.022
BindingDB Entry DOI: 10.7270/Q2RF5W3X |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50272131
(3-(4-fluorophenyl)-2-(4-(methylsulfonyl)phenyl)-1H...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c2ccccc2c1-c1ccc(F)cc1 Show InChI InChI=1S/C21H16FNO2S/c1-26(24,25)17-12-8-15(9-13-17)21-20(14-6-10-16(22)11-7-14)18-4-2-3-5-19(18)23-21/h2-13,23H,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Helmholtz-Zentrum Dresden-Rossendorf
Curated by ChEMBL
| Assay Description
Inhibition of ovine COX1 by enzymatic fluorescence assay |
Bioorg Med Chem 20: 3410-21 (2012)
Article DOI: 10.1016/j.bmc.2012.04.022
BindingDB Entry DOI: 10.7270/Q2RF5W3X |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM11639
(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) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.15E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Helmholtz-Zentrum Dresden-Rossendorf
Curated by ChEMBL
| Assay Description
Inhibition of ovine COX1 by enzymatic fluorescence assay |
Bioorg Med Chem 20: 3410-21 (2012)
Article DOI: 10.1016/j.bmc.2012.04.022
BindingDB Entry DOI: 10.7270/Q2RF5W3X |
More data for this
Ligand-Target Pair | |
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