BDBM50189988 CHEMBL214101::Rofecoxib analogue

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

InChI Key: InChIKey=YIBBBUDMCSMNAO-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50189988   

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
Cyclooxygenase (Homo sapiens (Human))	BDBM50189988 (CHEMBL214101 | Rofecoxib analogue) Show SMILES O=C1OCC(=C1c1ccccc1)c1ccc(cc1)-c1nnn[nH]1 |c:4| 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX2				Bioorg Med Chem Lett 16: 4483-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.032 BindingDB Entry DOI: 10.7270/Q2W095JB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50189988 (CHEMBL214101 | Rofecoxib analogue) Show SMILES O=C1OCC(=C1c1ccccc1)c1ccc(cc1)-c1nnn[nH]1 |c:4| 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)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem Lett 16: 4483-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.032 BindingDB Entry DOI: 10.7270/Q2W095JB
					More data for this Ligand-Target Pair