BDBM50337656 1-((5-(cyclopentylethynyl)pyridin-3-yl)methyl)-3-isopropyl-1-(3-(phenylethynyl)benzyl)urea::CHEMBL1683212

SMILES: CC(C)NC(=O)N(Cc1cccc(c1)C#Cc1ccccc1)Cc1cncc(c1)C#CC1CCCC1

InChI Key: InChIKey=SHARAJLOQNPSCD-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 = 50337656   

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))	BDBM50337656 (1-((5-(cyclopentylethynyl)pyridin-3-yl)methyl)-3-i...) Show SMILES CC(C)NC(=O)N(Cc1cccc(c1)C#Cc1ccccc1)Cc1cncc(c1)C#CC1CCCC1 Show InChI InChI=1S/C32H33N3O/c1-25(2)34-32(36)35(24-31-20-29(21-33-22-31)18-16-27-11-6-7-12-27)23-30-14-8-13-28(19-30)17-15-26-9-4-3-5-10-26/h3-5,8-10,13-14,19-22,25,27H,6-7,11-12,23-24H2,1-2H3,(H,34,36)	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	490	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Center for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of mPGES1 in IL-1beta treated human A549 cell microsome assessed as inhibition of PGE2 production after 1 min in presence of 50% FBS				Bioorg Med Chem Lett 21: 1488-92 (2011) Article DOI: 10.1016/j.bmcl.2011.01.006 BindingDB Entry DOI: 10.7270/Q2XS5VNP
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50337656 (1-((5-(cyclopentylethynyl)pyridin-3-yl)methyl)-3-i...) Show SMILES CC(C)NC(=O)N(Cc1cccc(c1)C#Cc1ccccc1)Cc1cncc(c1)C#CC1CCCC1 Show InChI InChI=1S/C32H33N3O/c1-25(2)34-32(36)35(24-31-20-29(21-33-22-31)18-16-27-11-6-7-12-27)23-30-14-8-13-28(19-30)17-15-26-9-4-3-5-10-26/h3-5,8-10,13-14,19-22,25,27H,6-7,11-12,23-24H2,1-2H3,(H,34,36)	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Center for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of mPGES1				Bioorg Med Chem Lett 21: 1488-92 (2011) Article DOI: 10.1016/j.bmcl.2011.01.006 BindingDB Entry DOI: 10.7270/Q2XS5VNP
					More data for this Ligand-Target Pair