BDBM50214018 CHEMBL428567::N-(4-((1-(2-fluorobenzyl)-3-butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)phenyl)-2,2,2-trifluoroacetamide

SMILES: CCCCn1c2nc(Cc3ccc(NC(=O)C(F)(F)F)cc3)[nH]c2c(=O)n(Cc2ccccc2F)c1=O

InChI Key: InChIKey=YVUJVJWNLCQLRT-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50214018   

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
Phosphoenolpyruvate carboxykinase cytosolic (Homo sapiens (Human))	BDBM50214018 (CHEMBL428567 | N-(4-((1-(2-fluorobenzyl)-3-butyl-2...) Show SMILES CCCCn1c2nc(Cc3ccc(NC(=O)C(F)(F)F)cc3)[nH]c2c(=O)n(Cc2ccccc2F)c1=O Show InChI InChI=1S/C25H23F4N5O3/c1-2-3-12-33-21-20(22(35)34(24(33)37)14-16-6-4-5-7-18(16)26)31-19(32-21)13-15-8-10-17(11-9-15)30-23(36)25(27,28)29/h4-11H,2-3,12-14H2,1H3,(H,30,36)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of human cPEPCK				Bioorg Med Chem Lett 17: 3835-9 (2007) Article DOI: 10.1016/j.bmcl.2007.05.013 BindingDB Entry DOI: 10.7270/Q2BV7HF1
					More data for this Ligand-Target Pair