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SMILES: Brc1ccc2[nH]cc(\C=N\NC(=O)CC#N)c2c1

InChI Key: InChIKey=BEFLZFMWSIYTNW-FRKPEAEDSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50469275   

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 1 (Ovis aries (Sheep))	BDBM50469275 (CHEMBL4290673) Show SMILES Brc1ccc2[nH]cc(\C=N\NC(=O)CC#N)c2c1 Show InChI InChI=1S/C12H9BrN4O/c13-9-1-2-11-10(5-9)8(6-15-11)7-16-17-12(18)3-4-14/h1-2,5-7,15H,3H2,(H,17,18)/b16-7+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco (UFPE) Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 1 hr				Bioorg Med Chem 26: 5388-5396 (2018) Article DOI: 10.1016/j.bmc.2018.07.024 BindingDB Entry DOI: 10.7270/Q26T0QCC
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50469275 (CHEMBL4290673) Show SMILES Brc1ccc2[nH]cc(\C=N\NC(=O)CC#N)c2c1 Show InChI InChI=1S/C12H9BrN4O/c13-9-1-2-11-10(5-9)8(6-15-11)7-16-17-12(18)3-4-14/h1-2,5-7,15H,3H2,(H,17,18)/b16-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco (UFPE) Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His6-tagged human COX-2 expressed in Baculovirus infected Sf21 cells using arachidonic acid as substrate preincu...				Bioorg Med Chem 26: 5388-5396 (2018) Article DOI: 10.1016/j.bmc.2018.07.024 BindingDB Entry DOI: 10.7270/Q26T0QCC
					More data for this Ligand-Target Pair