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BDBM50389311 CHEMBL2063916

SMILES: CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCNC(C)(C)C1

InChI Key: InChIKey=VVLUPUQPMLRDDL-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 = 50389311   
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))
BDBM50389311
PNG
(CHEMBL2063916)
Show SMILES CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCNC(C)(C)C1
Show InChI InChI=1S/C23H30N8S/c1-23(2)13-31(11-10-27-23)22-29-19-18(25-14-26-20(19)24-12-15-8-9-15)21(30-22)28-16-6-4-5-7-17(16)32-3/h4-7,14-15,27H,8-13H2,1-3H3,(H,24,25,26)(H,28,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Janssen Pharmaceutical Companies of Johnson& Johnson

Curated by ChEMBL


Assay Description
Inhibition of recombinant human hepatic KHKC


Bioorg Med Chem Lett 22: 5326-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.008
More data for this
Ligand-Target Pair