BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ketohexokinase' and Ligand = 'BDBM130637'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ketohexokinase


(Homo sapiens (Human))
BDBM130637
PNG
(US8822447, 130 | US9771375, Example 130)
Show SMILES CSc1nn(-c2ccc(cc2)[N+]([O-])=O)c2cc(CN3CCNCC3)ccc12
Show InChI InChI=1S/C19H21N5O2S/c1-27-19-17-7-2-14(13-22-10-8-20-9-11-22)12-18(17)23(21-19)15-3-5-16(6-4-15)24(25)26/h2-7,12,20H,8-11,13H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4.49E+4n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130637
PNG
(US8822447, 130 | US9771375, Example 130)
Show SMILES CSc1nn(-c2ccc(cc2)[N+]([O-])=O)c2cc(CN3CCNCC3)ccc12
Show InChI InChI=1S/C19H21N5O2S/c1-27-19-17-7-2-14(13-22-10-8-20-9-11-22)12-18(17)23(21-19)15-3-5-16(6-4-15)24(25)26/h2-7,12,20H,8-11,13H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4.49E+4n/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US8822447 (2014)


BindingDB Entry DOI: 10.7270/Q2M0443Q
More data for this
Ligand-Target Pair