BindingDB logo
myBDB logout

BDBM50380253 CHEMBL2017222

SMILES: C(Nc1ncnc2c(Nc3ccccc3C3CC3)nc(nc12)N1CCNCC1)C1CC1

InChI Key: InChIKey=VMROWKMWIQDIOC-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 = 50380253   
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))
BDBM50380253
PNG
(CHEMBL2017222)
Show SMILES C(Nc1ncnc2c(Nc3ccccc3C3CC3)nc(nc12)N1CCNCC1)C1CC1
Show InChI InChI=1S/C23H28N8/c1-2-4-18(17(3-1)16-7-8-16)28-22-19-20(21(27-14-26-19)25-13-15-5-6-15)29-23(30-22)31-11-9-24-10-12-31/h1-4,14-16,24H,5-13H2,(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 380n/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