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BDBM130591 US8822447, 69::US9771375, Example 69

SMILES: CCN1CCN(CC1)c1ccc2c(C)nn(-c3ccccc3)c2c1

InChI Key: InChIKey=IZDWERZYJJXUHJ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 130591   
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))
BDBM130591
PNG
(US8822447, 69 | US9771375, Example 69)
Show SMILES CCN1CCN(CC1)c1ccc2c(C)nn(-c3ccccc3)c2c1
Show InChI InChI=1S/C20H24N4/c1-3-22-11-13-23(14-12-22)18-9-10-19-16(2)21-24(20(19)15-18)17-7-5-4-6-8-17/h4-10,15H,3,11-14H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.42E+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)


BindingDB Entry DOI: 10.7270/Q20R9RJW
More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130591
PNG
(US8822447, 69 | US9771375, Example 69)
Show SMILES CCN1CCN(CC1)c1ccc2c(C)nn(-c3ccccc3)c2c1
Show InChI InChI=1S/C20H24N4/c1-3-22-11-13-23(14-12-22)18-9-10-19-16(2)21-24(20(19)15-18)17-7-5-4-6-8-17/h4-10,15H,3,11-14H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.42E+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