BDBM50337662 1-benzyl-1-(3-(phenylethynyl)benzyl)-3-propylurea::CHEMBL1683220

SMILES: CCCNC(=O)N(Cc1ccccc1)Cc1cccc(c1)C#Cc1ccccc1

InChI Key: InChIKey=GSHPNJJYVFUOIK-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 = 50337662   

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))	BDBM50337662 (1-benzyl-1-(3-(phenylethynyl)benzyl)-3-propylurea ...) Show SMILES CCCNC(=O)N(Cc1ccccc1)Cc1cccc(c1)C#Cc1ccccc1 Show InChI InChI=1S/C26H26N2O/c1-2-18-27-26(29)28(20-24-12-7-4-8-13-24)21-25-15-9-14-23(19-25)17-16-22-10-5-3-6-11-22/h3-15,19H,2,18,20-21H2,1H3,(H,27,29)	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	8	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
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50337662 (1-benzyl-1-(3-(phenylethynyl)benzyl)-3-propylurea ...) Show SMILES CCCNC(=O)N(Cc1ccccc1)Cc1cccc(c1)C#Cc1ccccc1 Show InChI InChI=1S/C26H26N2O/c1-2-18-27-26(29)28(20-24-12-7-4-8-13-24)21-25-15-9-14-23(19-25)17-16-22-10-5-3-6-11-22/h3-15,19H,2,18,20-21H2,1H3,(H,27,29)	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	2.90E+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 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