BDBM50302425 2-(6-(cyclopropylethynyl)-9-(3-hydroxy-3-methylbut-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl)isophthalonitrile::CHEMBL566668

SMILES: CC(C)(O)C#Cc1ccc2c3[nH]c(nc3c3ccc(cc3c2c1)C#CC1CC1)-c1c(cccc1C#N)C#N

InChI Key: InChIKey=XINTXICWQMPPJN-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 = 50302425   

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 (Homo sapiens (Human))	BDBM50302425 (2-(6-(cyclopropylethynyl)-9-(3-hydroxy-3-methylbut...) Show SMILES CC(C)(O)C#Cc1ccc2c3[nH]c(nc3c3ccc(cc3c2c1)C#CC1CC1)-c1c(cccc1C#N)C#N Show InChI InChI=1S/C33H22N4O/c1-33(2,38)15-14-22-11-13-26-28(17-22)27-16-21(9-8-20-6-7-20)10-12-25(27)30-31(26)37-32(36-30)29-23(18-34)4-3-5-24(29)19-35/h3-5,10-13,16-17,20,38H,6-7H2,1-2H3,(H,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK
					More data for this Ligand-Target Pair