BDBM50189988 CHEMBL214101::Rofecoxib analogue

SMILES O=C1OCC(=C1c1ccccc1)c1ccc(cc1)-c1nnn[nH]1

InChI Key InChIKey=YIBBBUDMCSMNAO-UHFFFAOYSA-N

Data  2 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50189988   

TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Tehran University of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50189988(CHEMBL214101 | Rofecoxib analogue)
Show SMILES O=C1OCC(=C1c1ccccc1)c1ccc(cc1)-c1nnn[nH]1
Show InChI InChI=1S/C17H12N4O2/c22-17-15(12-4-2-1-3-5-12)14(10-23-17)11-6-8-13(9-7-11)16-18-20-21-19-16/h1-9H,10H2,(H,18,19,20,21)
Affinity DataIC50: 1.80nMAssay Description:Inhibition of COX2More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Tehran University of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50189988(CHEMBL214101 | Rofecoxib analogue)
Show SMILES O=C1OCC(=C1c1ccccc1)c1ccc(cc1)-c1nnn[nH]1
Show InChI InChI=1S/C17H12N4O2/c22-17-15(12-4-2-1-3-5-12)14(10-23-17)11-6-8-13(9-7-11)16-18-20-21-19-16/h1-9H,10H2,(H,18,19,20,21)
Affinity DataIC50: 3.80nMAssay Description:Inhibition of COX1More data for this Ligand-Target Pair