BDBM50504643 CHEMBL4452428

SMILES: Brc1ccc(NC(=O)c2c(\N=C\c3ccccc3)c(C#N)c3CCCn23)cc1

InChI Key: InChIKey=GJDCXYCPFAYSCH-AFUMVMLFSA-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 = 50504643   

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 E synthase/G/H synthase 2 (Homo sapiens (Human))	BDBM50504643 (CHEMBL4452428) Show SMILES Brc1ccc(NC(=O)c2c(\N=C\c3ccccc3)c(C#N)c3CCCn23)cc1 Show InChI InChI=1S/C22H17BrN4O/c23-16-8-10-17(11-9-16)26-22(28)21-20(25-14-15-5-2-1-3-6-15)18(13-24)19-7-4-12-27(19)21/h1-3,5-6,8-11,14H,4,7,12H2,(H,26,28)/b25-14+	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	1.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
Umm Al-Qura University Curated by ChEMBL					Assay Description Inhibition of human COX2 using arachidonic acid as substrate incubated for 2 mins by ELISA method				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111780
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50504643 (CHEMBL4452428) Show SMILES Brc1ccc(NC(=O)c2c(\N=C\c3ccccc3)c(C#N)c3CCCn23)cc1 Show InChI InChI=1S/C22H17BrN4O/c23-16-8-10-17(11-9-16)26-22(28)21-20(25-14-15-5-2-1-3-6-15)18(13-24)19-7-4-12-27(19)21/h1-3,5-6,8-11,14H,4,7,12H2,(H,26,28)/b25-14+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Umm Al-Qura University Curated by ChEMBL					Assay Description Inhibition of human COX1 using arachidonic acid as substrate incubated for 2 mins by ELISA method				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111780
					More data for this Ligand-Target Pair