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BDBM130593 US8822447, 71::US9771375, Example 71

SMILES: CC1CN(CCN1)c1ccc2c(C)nn(-c3ccccc3)c2c1

InChI Key: InChIKey=BELRGSFMCTVTGY-UHFFFAOYNA-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 = 130593   
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))
BDBM130593
PNG
(US8822447, 71 | US9771375, Example 71)
Show SMILES CC1CN(CCN1)c1ccc2c(C)nn(-c3ccccc3)c2c1
Show InChI InChI=1/C19H22N4/c1-14-13-22(11-10-20-14)17-8-9-18-15(2)21-23(19(18)12-17)16-6-4-3-5-7-16/h3-9,12,14,20H,10-11,13H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 400n/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))
BDBM130593
PNG
(US8822447, 71 | US9771375, Example 71)
Show SMILES CC1CN(CCN1)c1ccc2c(C)nn(-c3ccccc3)c2c1
Show InChI InChI=1/C19H22N4/c1-14-13-22(11-10-20-14)17-8-9-18-15(2)21-23(19(18)12-17)16-6-4-3-5-7-16/h3-9,12,14,20H,10-11,13H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 400n/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