null
SMILES: CCSc1ccc(cc1)-c1cc(Cl)cc2C=C(C(Oc12)C(F)(F)F)C(O)=O
InChI Key: InChIKey=WPYQXCORZGBFKS-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50336016 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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)) | BDBM50336016
(6-chloro-8-(4-(ethylthio)phenyl)-2-(trifluoromethy...)Show SMILES CCSc1ccc(cc1)-c1cc(Cl)cc2C=C(C(Oc12)C(F)(F)F)C(O)=O |c:16| Show InChI InChI=1S/C19H14ClF3O3S/c1-2-27-13-5-3-10(4-6-13)14-9-12(20)7-11-8-15(18(24)25)17(19(21,22)23)26-16(11)14/h3-9,17H,2H2,1H3,(H,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 PubMed
| n/a | n/a | 242 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human COX2 |
Bioorg Med Chem Lett 21: 993-6 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.023 BindingDB Entry DOI: 10.7270/Q2QR4XDS |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50336016
(6-chloro-8-(4-(ethylthio)phenyl)-2-(trifluoromethy...)Show SMILES CCSc1ccc(cc1)-c1cc(Cl)cc2C=C(C(Oc12)C(F)(F)F)C(O)=O |c:16| Show InChI InChI=1S/C19H14ClF3O3S/c1-2-27-13-5-3-10(4-6-13)14-9-12(20)7-11-8-15(18(24)25)17(19(21,22)23)26-16(11)14/h3-9,17H,2H2,1H3,(H,24,25) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7.59E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human COX1 |
Bioorg Med Chem Lett 21: 993-6 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.023 BindingDB Entry DOI: 10.7270/Q2QR4XDS |
More data for this Ligand-Target Pair | |