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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ketohexokinase' and Ligand = 'BDBM130630'   
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))
BDBM130630
PNG
(US8822447, 115 | US9771375, Example 115)
Show SMILES CSc1nn(-c2ccc(N)cc2)c2cc(CN3CCNCC3)ccc12
Show InChI InChI=1S/C19H23N5S/c1-25-19-17-7-2-14(13-23-10-8-21-9-11-23)12-18(17)24(22-19)16-5-3-15(20)4-6-16/h2-7,12,21H,8-11,13,20H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>5.10E+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))
BDBM130630
PNG
(US8822447, 115 | US9771375, Example 115)
Show SMILES CSc1nn(-c2ccc(N)cc2)c2cc(CN3CCNCC3)ccc12
Show InChI InChI=1S/C19H23N5S/c1-25-19-17-7-2-14(13-23-10-8-21-9-11-23)12-18(17)24(22-19)16-5-3-15(20)4-6-16/h2-7,12,21H,8-11,13,20H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>5.10E+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