BDBM50380266 CHEMBL2017233

SMILES: Cc1ccccc1Nc1nc(nc2c(NCc3ccccc3)ncnc12)N1CCNCC1

InChI Key: InChIKey=NJHJSWPTONGOJH-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50380266   

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))	BDBM50380266 (CHEMBL2017233) Show SMILES Cc1ccccc1Nc1nc(nc2c(NCc3ccccc3)ncnc12)N1CCNCC1 Show InChI InChI=1S/C24H26N8/c1-17-7-5-6-10-19(17)29-23-20-21(30-24(31-23)32-13-11-25-12-14-32)22(28-16-27-20)26-15-18-8-3-2-4-9-18/h2-10,16,25H,11-15H2,1H3,(H,26,27,28)(H,29,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	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