BDBM50214004 CHEMBL243116::N-(4-((1-(2-fluorobenzyl)-3-butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)phenyl)-5-chloro-1,3-dimethyl-1H-pyrazole-4-sulfonamide

SMILES: CCCCn1c2nc(Cc3ccc(NS(=O)(=O)c4c(C)nn(C)c4Cl)cc3)[nH]c2c(=O)n(Cc2ccccc2F)c1=O

InChI Key: InChIKey=MTTQDSZMHKSAMH-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 = 50214004   

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))	BDBM50214004 (CHEMBL243116 | N-(4-((1-(2-fluorobenzyl)-3-butyl-2...) Show SMILES CCCCn1c2nc(Cc3ccc(NS(=O)(=O)c4c(C)nn(C)c4Cl)cc3)[nH]c2c(=O)n(Cc2ccccc2F)c1=O Show InChI InChI=1S/C28H29ClFN7O4S/c1-4-5-14-36-26-23(27(38)37(28(36)39)16-19-8-6-7-9-21(19)30)31-22(32-26)15-18-10-12-20(13-11-18)34-42(40,41)24-17(2)33-35(3)25(24)29/h6-13,34H,4-5,14-16H2,1-3H3,(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	540	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
Cytosolic phosphoenolpyruvate carboxykinase (cPEPCK) (Rattus norvegicus (Rat))	BDBM50214004 (CHEMBL243116 | N-(4-((1-(2-fluorobenzyl)-3-butyl-2...) Show SMILES CCCCn1c2nc(Cc3ccc(NS(=O)(=O)c4c(C)nn(C)c4Cl)cc3)[nH]c2c(=O)n(Cc2ccccc2F)c1=O Show InChI InChI=1S/C28H29ClFN7O4S/c1-4-5-14-36-26-23(27(38)37(28(36)39)16-19-8-6-7-9-21(19)30)31-22(32-26)15-18-10-12-20(13-11-18)34-42(40,41)24-17(2)33-35(3)25(24)29/h6-13,34H,4-5,14-16H2,1-3H3,(H,31,32)	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	3.97E+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