BDBM50302417 2-(6-chloro-9-(3-methoxyprop-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl)isophthalonitrile::CHEMBL585857

SMILES: COCC#Cc1ccc2c3[nH]c(nc3c3ccc(Cl)cc3c2c1)-c1c(cccc1C#N)C#N

InChI Key: InChIKey=FGSPKYRBKVYTMC-UHFFFAOYSA-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 = 50302417   

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))	BDBM50302417 (2-(6-chloro-9-(3-methoxyprop-1-ynyl)-1H-phenanthro...) Show SMILES COCC#Cc1ccc2c3[nH]c(nc3c3ccc(Cl)cc3c2c1)-c1c(cccc1C#N)C#N Show InChI InChI=1S/C27H15ClN4O/c1-33-11-3-4-16-7-9-20-22(12-16)23-13-19(28)8-10-21(23)26-25(20)31-27(32-26)24-17(14-29)5-2-6-18(24)15-30/h2,5-10,12-13H,11H2,1H3,(H,31,32)	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	2	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
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50302417 (2-(6-chloro-9-(3-methoxyprop-1-ynyl)-1H-phenanthro...) Show SMILES COCC#Cc1ccc2c3[nH]c(nc3c3ccc(Cl)cc3c2c1)-c1c(cccc1C#N)C#N Show InChI InChI=1S/C27H15ClN4O/c1-33-11-3-4-16-7-9-20-22(12-16)23-13-19(28)8-10-21(23)26-25(20)31-27(32-26)24-17(14-29)5-2-6-18(24)15-30/h2,5-10,12-13H,11H2,1H3,(H,31,32)	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	60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of mPGES1 in IL-1beta-stimulated human A549 cells assessed as blockade of PGH2 to PGE2 conversion in presence of 50% fetal bovine serum				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