BDBM50337668 CHEMBL1683226::tert-butyl(benzyl(3-(phenylethynyl)benzyl)amino)(isopropylamino)methylenecarbamate

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

InChI Key: InChIKey=GGZILFHANTWWMM-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 = 50337668   

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))	BDBM50337668 (CHEMBL1683226 | tert-butyl(benzyl(3-(phenylethynyl...) Show SMILES CC(C)NC(=NC(=O)OC(C)(C)C)N(Cc1ccccc1)Cc1cccc(c1)C#Cc1ccccc1 |w:5.5| Show InChI InChI=1S/C31H35N3O2/c1-24(2)32-29(33-30(35)36-31(3,4)5)34(22-27-15-10-7-11-16-27)23-28-18-12-17-26(21-28)20-19-25-13-8-6-9-14-25/h6-18,21,24H,22-23H2,1-5H3,(H,32,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	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))	BDBM50337668 (CHEMBL1683226 | tert-butyl(benzyl(3-(phenylethynyl...) Show SMILES CC(C)NC(=NC(=O)OC(C)(C)C)N(Cc1ccccc1)Cc1cccc(c1)C#Cc1ccccc1 |w:5.5| Show InChI InChI=1S/C31H35N3O2/c1-24(2)32-29(33-30(35)36-31(3,4)5)34(22-27-15-10-7-11-16-27)23-28-18-12-17-26(21-28)20-19-25-13-8-6-9-14-25/h6-18,21,24H,22-23H2,1-5H3,(H,32,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+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