Found 3 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50373586' 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)) | BDBM50373586
(CHEMBL408788)Show SMILES CCSc1cc(NCc2ccccc2)nc(n1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H21N3O2S2/c1-3-26-19-13-18(21-14-15-7-5-4-6-8-15)22-20(23-19)16-9-11-17(12-10-16)27(2,24)25/h4-13H,3,14H2,1-2H3,(H,21,22,23) | 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 | 24.1 | 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)) | BDBM50373586
(CHEMBL408788)Show SMILES CCSc1cc(NCc2ccccc2)nc(n1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H21N3O2S2/c1-3-26-19-13-18(21-14-15-7-5-4-6-8-15)22-20(23-19)16-9-11-17(12-10-16)27(2,24)25/h4-13H,3,14H2,1-2H3,(H,21,22,23) | 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 | 4.14E+7 | 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)) | BDBM50373586
(CHEMBL408788)Show SMILES CCSc1cc(NCc2ccccc2)nc(n1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H21N3O2S2/c1-3-26-19-13-18(21-14-15-7-5-4-6-8-15)22-20(23-19)16-9-11-17(12-10-16)27(2,24)25/h4-13H,3,14H2,1-2H3,(H,21,22,23) | 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 | 4.15E+7 | 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 | |