Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50015479 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)) | BDBM22369
(4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...)Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11| 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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
NitroMed Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibition of Prostaglandin G/H synthase 2 in human whole blood |
Bioorg Med Chem Lett 14: 6049-52 (2004)
Article DOI: 10.1016/j.bmcl.2004.09.073
BindingDB Entry DOI: 10.7270/Q2Q81CJ0 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50156456
(5-(4-Methanesulfonyl-phenyl)-3-(2-methoxy-tetrahyd...)Show SMILES COC1(CCCO1)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(n1)-c1ccc(C)cc1 Show InChI InChI=1S/C22H24N2O4S/c1-16-5-9-18(10-6-16)24-20(17-7-11-19(12-8-17)29(3,25)26)15-21(23-24)22(27-2)13-4-14-28-22/h5-12,15H,4,13-14H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
NitroMed Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibition of Prostaglandin G/H synthase 2 in human whole blood |
Bioorg Med Chem Lett 14: 6049-52 (2004)
Article DOI: 10.1016/j.bmcl.2004.09.073
BindingDB Entry DOI: 10.7270/Q2Q81CJ0 |
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 | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
NitroMed Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibition of Prostaglandin G/H synthase 2 in human whole blood |
Bioorg Med Chem Lett 14: 6049-52 (2004)
Article DOI: 10.1016/j.bmcl.2004.09.073
BindingDB Entry DOI: 10.7270/Q2Q81CJ0 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Prostaglandin G/H synthase 1
(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
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 | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NitroMed Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibition of Prostaglandin G/H synthase 1 in human whole blood |
Bioorg Med Chem Lett 14: 6049-52 (2004)
Article DOI: 10.1016/j.bmcl.2004.09.073
BindingDB Entry DOI: 10.7270/Q2Q81CJ0 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM22369
(4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...)Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11| 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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NitroMed Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibition of Prostaglandin G/H synthase 1 in human whole blood |
Bioorg Med Chem Lett 14: 6049-52 (2004)
Article DOI: 10.1016/j.bmcl.2004.09.073
BindingDB Entry DOI: 10.7270/Q2Q81CJ0 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50156456
(5-(4-Methanesulfonyl-phenyl)-3-(2-methoxy-tetrahyd...)Show SMILES COC1(CCCO1)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(n1)-c1ccc(C)cc1 Show InChI InChI=1S/C22H24N2O4S/c1-16-5-9-18(10-6-16)24-20(17-7-11-19(12-8-17)29(3,25)26)15-21(23-24)22(27-2)13-4-14-28-22/h5-12,15H,4,13-14H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
NitroMed Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibition of Prostaglandin G/H synthase 1 in human whole blood |
Bioorg Med Chem Lett 14: 6049-52 (2004)
Article DOI: 10.1016/j.bmcl.2004.09.073
BindingDB Entry DOI: 10.7270/Q2Q81CJ0 |
More data for this
Ligand-Target Pair | |
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