BDBM50380267 CHEMBL2017234

SMILES: Cc1ccccc1Nc1nc(nc2c(NCc3cccs3)ncnc12)N1CCNCC1

InChI Key: InChIKey=MMFRIBVZDZPJIZ-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 = 50380267   

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
Ketohexokinase (KHK) Isoform C (Homo sapiens (Human))	BDBM50380267 (CHEMBL2017234) Show SMILES Cc1ccccc1Nc1nc(nc2c(NCc3cccs3)ncnc12)N1CCNCC1 Show InChI InChI=1S/C22H24N8S/c1-15-5-2-3-7-17(15)27-21-18-19(28-22(29-21)30-10-8-23-9-11-30)20(26-14-25-18)24-13-16-6-4-12-31-16/h2-7,12,14,23H,8-11,13H2,1H3,(H,24,25,26)(H,27,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human ketohexokinase isoform C expressed in Escherichia coli BL21 (DE3) cells using D-fructose as substrate after 12 to 15 mins by fluo...				ACS Med Chem Lett 2: 538-543 (2011) Article DOI: 10.1021/ml200070g BindingDB Entry DOI: 10.7270/Q2NZ88N1
					More data for this Ligand-Target Pair