BDBM50380286 CHEMBL2017255

SMILES: CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCC(CN(C)C)CC1

InChI Key: InChIKey=BDUDIJBHLOBMBD-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 = 50380286   

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))	BDBM50380286 (CHEMBL2017255) Show SMILES CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCC(CN(C)C)CC1 Show InChI InChI=1S/C25H34N8S/c1-32(2)15-18-10-12-33(13-11-18)25-30-22-21(27-16-28-23(22)26-14-17-8-9-17)24(31-25)29-19-6-4-5-7-20(19)34-3/h4-7,16-18H,8-15H2,1-3H3,(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	140	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