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BDBM50380269 CHEMBL2017236

SMILES: Cc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCCNCC1

InChI Key: InChIKey=OKFWSNYGFBNDNY-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50380269   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Ketohexokinase


(Homo sapiens (Human))
BDBM50380269
PNG
(CHEMBL2017236)
Show SMILES Cc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCCNCC1
Show InChI InChI=1S/C22H28N8/c1-15-5-2-3-6-17(15)27-21-18-19(20(26-14-25-18)24-13-16-7-8-16)28-22(29-21)30-11-4-9-23-10-12-30/h2-3,5-6,14,16,23H,4,7-13H2,1H3,(H,24,25,26)(H,27,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/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