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BDBM130604 US8822447, 83::US9771375, Example 83

SMILES: CCc1nn(-c2ccccc2)c2nc(ncc12)N1CCN(CC1)c1cccnc1

InChI Key: InChIKey=ZUZXRZKGSBMXQH-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 130604   
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))
BDBM130604
PNG
(US8822447, 83 | US9771375, Example 83)
Show SMILES CCc1nn(-c2ccccc2)c2nc(ncc12)N1CCN(CC1)c1cccnc1
Show InChI InChI=1S/C22H23N7/c1-2-20-19-16-24-22(25-21(19)29(26-20)17-7-4-3-5-8-17)28-13-11-27(12-14-28)18-9-6-10-23-15-18/h3-10,15-16H,2,11-14H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>3.00E+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))
BDBM130604
PNG
(US8822447, 83 | US9771375, Example 83)
Show SMILES CCc1nn(-c2ccccc2)c2nc(ncc12)N1CCN(CC1)c1cccnc1
Show InChI InChI=1S/C22H23N7/c1-2-20-19-16-24-22(25-21(19)29(26-20)17-7-4-3-5-8-17)28-13-11-27(12-14-28)18-9-6-10-23-15-18/h3-10,15-16H,2,11-14H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>3.00E+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