BDBM50380264 CHEMBL2017231

SMILES: CCN(CC)c1ncnc2c(Nc3ccccc3C)nc(nc12)N1CCNCC1

InChI Key: InChIKey=MEAJTUKXCWPFLK-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 = 50380264   

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))	BDBM50380264 (CHEMBL2017231) Show SMILES CCN(CC)c1ncnc2c(Nc3ccccc3C)nc(nc12)N1CCNCC1 Show InChI InChI=1S/C21H28N8/c1-4-28(5-2)20-18-17(23-14-24-20)19(25-16-9-7-6-8-15(16)3)27-21(26-18)29-12-10-22-11-13-29/h6-9,14,22H,4-5,10-13H2,1-3H3,(H,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	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