BDBM50380240 CHEMBL2017208

SMILES: CNc1ncnc2c(Nc3ccccc3C)nc(nc12)N1CCNCC1

InChI Key: InChIKey=NLHAWPRZWKTHRI-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 = 50380240   

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))	BDBM50380240 (CHEMBL2017208) Show SMILES CNc1ncnc2c(Nc3ccccc3C)nc(nc12)N1CCNCC1 Show InChI InChI=1S/C18H22N8/c1-12-5-3-4-6-13(12)23-17-14-15(16(19-2)22-11-21-14)24-18(25-17)26-9-7-20-8-10-26/h3-6,11,20H,7-10H2,1-2H3,(H,19,21,22)(H,23,24,25)	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