BDBM50214010 CHEMBL244165::N-(4-((1-(2-fluorobenzyl)-3-(cyclopropylmethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)phenyl)acetamide::N-{4-[3-Cyclopropylmethyl-1-(2-fluoro-benzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl]-phenyl}-acetamide
SMILES: CC(=O)Nc1ccc(Cc2nc3n(CC4CC4)c(=O)n(Cc4ccccc4F)c(=O)c3[nH]2)cc1
InChI Key: InChIKey=LIIPHVVAEWIILY-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytosolic phosphoenolpyruvate carboxykinase (cPEPCK) (Rattus norvegicus (Rat)) | BDBM50214010 (CHEMBL244165 | N-(4-((1-(2-fluorobenzyl)-3-(cyclop...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a |
Roche Research Center Curated by ChEMBL | Assay Description Inhibition of cPEPCK in rat H4IIE cells assessed as effect on glucose production | 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 | |||||||||||||
Phosphoenolpyruvate carboxykinase cytosolic (Homo sapiens (Human)) | BDBM50214010 (CHEMBL244165 | N-(4-((1-(2-fluorobenzyl)-3-(cyclop...) | 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 | 690 | 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 |