BDBM50380247 CHEMBL2017215

SMILES: CSc1cccc(Nc2nc(nc3c(NCC4CC4)ncnc23)N2CCNCC2)c1

InChI Key: InChIKey=LTWOBPGNTZWHLV-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 = 50380247   

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))	BDBM50380247 (CHEMBL2017215) Show SMILES CSc1cccc(Nc2nc(nc3c(NCC4CC4)ncnc23)N2CCNCC2)c1 Show InChI InChI=1S/C21H26N8S/c1-30-16-4-2-3-15(11-16)26-20-17-18(19(25-13-24-17)23-12-14-5-6-14)27-21(28-20)29-9-7-22-8-10-29/h2-4,11,13-14,22H,5-10,12H2,1H3,(H,23,24,25)(H,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+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