BDBM50035950 CHEMBL3338719
SMILES: COc1ccc(cc1)-c1nn(cc1\C=N/NC(N)=S)-c1ccccc1
InChI Key: InChIKey=CNWNCQAAPOYYNZ-JAIQZWGSSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50035950 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 (cyclooxygenase)
(Ovis aries (Sheep)) | BDBM50035950
(CHEMBL3338719)Show SMILES COc1ccc(cc1)-c1nn(cc1\C=N/NC(N)=S)-c1ccccc1 Show InChI InChI=1S/C18H17N5OS/c1-24-16-9-7-13(8-10-16)17-14(11-20-21-18(19)25)12-23(22-17)15-5-3-2-4-6-15/h2-12H,1H3,(H3,19,21,25)/b20-11- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
KLE University
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 |
Bioorg Med Chem Lett 24: 5324-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.08.062 BindingDB Entry DOI: 10.7270/Q2X92CXH |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase (Cyclooxygenase-2)
(Ovis aries (Sheep)) | BDBM50035950
(CHEMBL3338719)Show SMILES COc1ccc(cc1)-c1nn(cc1\C=N/NC(N)=S)-c1ccccc1 Show InChI InChI=1S/C18H17N5OS/c1-24-16-9-7-13(8-10-16)17-14(11-20-21-18(19)25)12-23(22-17)15-5-3-2-4-6-15/h2-12H,1H3,(H3,19,21,25)/b20-11- | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
KLE University
Curated by ChEMBL
| Assay Description Inhibition of ovine COX2 |
Bioorg Med Chem Lett 24: 5324-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.08.062 BindingDB Entry DOI: 10.7270/Q2X92CXH |
More data for this Ligand-Target Pair | |