BDBM50337653 1-(biphenyl-3-ylmethyl)-3-isopropyl-1-(3-(phenylethynyl)benzyl)urea::CHEMBL1683209

SMILES: CC(C)NC(=O)N(Cc1cccc(c1)C#Cc1ccccc1)Cc1cccc(c1)-c1ccccc1

InChI Key: InChIKey=PGEQNCIUHQEDRK-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 = 50337653   

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))	BDBM50337653 (1-(biphenyl-3-ylmethyl)-3-isopropyl-1-(3-(phenylet...) Show SMILES CC(C)NC(=O)N(Cc1cccc(c1)C#Cc1ccccc1)Cc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C32H30N2O/c1-25(2)33-32(35)34(24-29-15-10-18-31(22-29)30-16-7-4-8-17-30)23-28-14-9-13-27(21-28)20-19-26-11-5-3-6-12-26/h3-18,21-22,25H,23-24H2,1-2H3,(H,33,35)	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	3.70E+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
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50337653 (1-(biphenyl-3-ylmethyl)-3-isopropyl-1-(3-(phenylet...) Show SMILES CC(C)NC(=O)N(Cc1cccc(c1)C#Cc1ccccc1)Cc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C32H30N2O/c1-25(2)33-32(35)34(24-29-15-10-18-31(22-29)30-16-7-4-8-17-30)23-28-14-9-13-27(21-28)20-19-26-11-5-3-6-12-26/h3-18,21-22,25H,23-24H2,1-2H3,(H,33,35)	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