BDBM50521864 CHEMBL4455511

SMILES: CCc1ccc(cc1)-n1cc(CNC(=O)C(=O)c2cc3ccccc3[nH]2)nn1

InChI Key: InChIKey=BZQGZEQWQDVATR-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 = 50521864   

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))	BDBM50521864 (CHEMBL4455511) Show SMILES CCc1ccc(cc1)-n1cc(CNC(=O)C(=O)c2cc3ccccc3[nH]2)nn1 Show InChI InChI=1S/C21H19N5O2/c1-2-14-7-9-17(10-8-14)26-13-16(24-25-26)12-22-21(28)20(27)19-11-15-5-3-4-6-18(15)23-19/h3-11,13,23H,2,12H2,1H3,(H,22,28)	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	120	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human COX2 using arachidonic acid as substrate pretreated for 5 mins followed by substrate addition and measured after 20 mins by color...				Bioorg Med Chem 27: 3511-3531 (2019) Article DOI: 10.1016/j.bmc.2019.07.005
					More data for this Ligand-Target Pair