BDBM50084642 CHEMBL3427198

SMILES: COc1ccc(cc1)-n1nnc(c1C)-c1ccc(N)cc1

InChI Key: InChIKey=NSWHIWCNGRWREV-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50084642   

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))	BDBM50084642 (CHEMBL3427198) Show SMILES COc1ccc(cc1)-n1nnc(c1C)-c1ccc(N)cc1 Show InChI InChI=1S/C16H16N4O/c1-11-16(12-3-5-13(17)6-4-12)18-19-20(11)14-7-9-15(21-2)10-8-14/h3-10H,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"A.Moro" Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 assessed as inhibition of PGH2 production using arachidonic acid as substrate by TMPD oxidation based colorimetric assay				Eur J Med Chem 94: 252-64 (2015) Article DOI: 10.1016/j.ejmech.2015.02.049 BindingDB Entry DOI: 10.7270/Q2416ZRX
					More data for this Ligand-Target Pair