BDBM50337649 3-isopropyl-1-(4-methoxybenzyl)-1-(3-(phenylethynyl)benzyl)urea::CHEMBL1683206

SMILES: COc1ccc(CN(Cc2cccc(c2)C#Cc2ccccc2)C(=O)NC(C)C)cc1

InChI Key: InChIKey=QNFZXDJNLUXCHR-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 = 50337649   

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))	BDBM50337649 (3-isopropyl-1-(4-methoxybenzyl)-1-(3-(phenylethyny...) Show SMILES COc1ccc(CN(Cc2cccc(c2)C#Cc2ccccc2)C(=O)NC(C)C)cc1 Show InChI InChI=1S/C27H28N2O2/c1-21(2)28-27(30)29(19-24-14-16-26(31-3)17-15-24)20-25-11-7-10-23(18-25)13-12-22-8-5-4-6-9-22/h4-11,14-18,21H,19-20H2,1-3H3,(H,28,30)	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	150	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))	BDBM50337649 (3-isopropyl-1-(4-methoxybenzyl)-1-(3-(phenylethyny...) Show SMILES COc1ccc(CN(Cc2cccc(c2)C#Cc2ccccc2)C(=O)NC(C)C)cc1 Show InChI InChI=1S/C27H28N2O2/c1-21(2)28-27(30)29(19-24-14-16-26(31-3)17-15-24)20-25-11-7-10-23(18-25)13-12-22-8-5-4-6-9-22/h4-11,14-18,21H,19-20H2,1-3H3,(H,28,30)	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	1.48E+4	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