Found 3 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50373571' 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)) | BDBM50373571
(CHEMBL404362)Show SMILES CCc1c(NCc2ccc(F)cc2)nc(nc1C(F)(F)F)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C21H19F4N3O2S/c1-3-17-18(21(23,24)25)27-19(14-6-10-16(11-7-14)31(2,29)30)28-20(17)26-12-13-4-8-15(22)9-5-13/h4-11H,3,12H2,1-2H3,(H,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 103 | n/a | n/a | n/a | n/a | n/a | n/a |
Faes Farma S.A.
Curated by ChEMBL
| Assay Description
Inhibition of human COX2 in human whole blood |
Bioorg Med Chem 16: 2183-99 (2008)
Article DOI: 10.1016/j.bmc.2007.11.079
BindingDB Entry DOI: 10.7270/Q2GX4CDQ |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50373571
(CHEMBL404362)Show SMILES CCc1c(NCc2ccc(F)cc2)nc(nc1C(F)(F)F)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C21H19F4N3O2S/c1-3-17-18(21(23,24)25)27-19(14-6-10-16(11-7-14)31(2,29)30)28-20(17)26-12-13-4-8-15(22)9-5-13/h4-11H,3,12H2,1-2H3,(H,26,27,28) | 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 | 9.72E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of COX2 in Homo sapiens (human) whole blood |
Citation and Details
Article DOI: 10.1007/s00044-011-9566-8
BindingDB Entry DOI: 10.7270/Q2Q81GZM |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50373571
(CHEMBL404362)Show SMILES CCc1c(NCc2ccc(F)cc2)nc(nc1C(F)(F)F)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C21H19F4N3O2S/c1-3-17-18(21(23,24)25)27-19(14-6-10-16(11-7-14)31(2,29)30)28-20(17)26-12-13-4-8-15(22)9-5-13/h4-11H,3,12H2,1-2H3,(H,26,27,28) | 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 | 9.73E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of COX2 in Homo sapiens (human) whole blood |
Citation and Details
Article DOI: 10.1007/s00044-011-9566-8
BindingDB Entry DOI: 10.7270/Q2Q81GZM |
More data for this
Ligand-Target Pair | |
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