BDBM50214003 CHEMBL243134::N-(4-((1-(2-fluorobenzyl)-3-(cyclopropylmethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)phenyl)-1-methyl-1H-pyrazole-4-sulfonamide

SMILES: Cn1cc(cn1)S(=O)(=O)Nc1ccc(Cc2nc3n(CC4CC4)c(=O)n(Cc4ccccc4F)c(=O)c3[nH]2)cc1

InChI Key: InChIKey=VCKLIWXLPHUGCX-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 50214003   

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))	BDBM50214003 (CHEMBL243134 | N-(4-((1-(2-fluorobenzyl)-3-(cyclop...) Show SMILES Cn1cc(cn1)S(=O)(=O)Nc1ccc(Cc2nc3n(CC4CC4)c(=O)n(Cc4ccccc4F)c(=O)c3[nH]2)cc1 Show InChI InChI=1S/C27H26FN7O4S/c1-33-16-21(13-29-33)40(38,39)32-20-10-8-17(9-11-20)12-23-30-24-25(31-23)34(14-18-6-7-18)27(37)35(26(24)36)15-19-4-2-3-5-22(19)28/h2-5,8-11,13,16,18,32H,6-7,12,14-15H2,1H3,(H,30,31)	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	8.75E+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))	BDBM50214003 (CHEMBL243134 | N-(4-((1-(2-fluorobenzyl)-3-(cyclop...) Show SMILES Cn1cc(cn1)S(=O)(=O)Nc1ccc(Cc2nc3n(CC4CC4)c(=O)n(Cc4ccccc4F)c(=O)c3[nH]2)cc1 Show InChI InChI=1S/C27H26FN7O4S/c1-33-16-21(13-29-33)40(38,39)32-20-10-8-17(9-11-20)12-23-30-24-25(31-23)34(14-18-6-7-18)27(37)35(26(24)36)15-19-4-2-3-5-22(19)28/h2-5,8-11,13,16,18,32H,6-7,12,14-15H2,1H3,(H,30,31)	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	390	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