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BDBM50380263 CHEMBL2017230

SMILES: Cc1ccccc1Nc1nc(nc2c(NC3CCCCC3)ncnc12)N1CCNCC1

InChI Key: InChIKey=DOQKCZFSWGCKGM-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50380263   
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))
BDBM50380263
PNG
(CHEMBL2017230)
Show SMILES Cc1ccccc1Nc1nc(nc2c(NC3CCCCC3)ncnc12)N1CCNCC1
Show InChI InChI=1S/C23H30N8/c1-16-7-5-6-10-18(16)28-22-19-20(29-23(30-22)31-13-11-24-12-14-31)21(26-15-25-19)27-17-8-3-2-4-9-17/h5-7,10,15,17,24H,2-4,8-9,11-14H2,1H3,(H,25,26,27)(H,28,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30E+3n/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