BDBM50337648 3-isopropyl-1-(2-methoxybenzyl)-1-(3-(phenylethynyl)benzyl)urea::CHEMBL1683205

SMILES: COc1ccccc1CN(Cc1cccc(c1)C#Cc1ccccc1)C(=O)NC(C)C

InChI Key: InChIKey=DRJNETDKJRDGBN-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 = 50337648   

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))	BDBM50337648 (3-isopropyl-1-(2-methoxybenzyl)-1-(3-(phenylethyny...) Show SMILES COc1ccccc1CN(Cc1cccc(c1)C#Cc1ccccc1)C(=O)NC(C)C Show InChI InChI=1S/C27H28N2O2/c1-21(2)28-27(30)29(20-25-14-7-8-15-26(25)31-3)19-24-13-9-12-23(18-24)17-16-22-10-5-4-6-11-22/h4-15,18,21H,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	580	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))	BDBM50337648 (3-isopropyl-1-(2-methoxybenzyl)-1-(3-(phenylethyny...) Show SMILES COc1ccccc1CN(Cc1cccc(c1)C#Cc1ccccc1)C(=O)NC(C)C Show InChI InChI=1S/C27H28N2O2/c1-21(2)28-27(30)29(20-25-14-7-8-15-26(25)31-3)19-24-13-9-12-23(18-24)17-16-22-10-5-4-6-11-22/h4-15,18,21H,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	1.06E+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