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BDBM130645 US8822447, 144::US9771375, Example 144

SMILES: CSc1nn(-c2ccc(cc2)[N+]([O-])=O)c2cc(ccc12)C1=CCN(CC1)C(=O)CN

InChI Key: InChIKey=QXLHUBAFZPQJGZ-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 = 130645   
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))
BDBM130645
PNG
(US8822447, 144 | US9771375, Example 144)
Show SMILES CSc1nn(-c2ccc(cc2)[N+]([O-])=O)c2cc(ccc12)C1=CCN(CC1)C(=O)CN
Show InChI InChI=1S/C21H21N5O3S/c1-30-21-18-7-2-15(14-8-10-24(11-9-14)20(27)13-22)12-19(18)25(23-21)16-3-5-17(6-4-16)26(28)29/h2-8,12H,9-11,13,22H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+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))
BDBM130645
PNG
(US8822447, 144 | US9771375, Example 144)
Show SMILES CSc1nn(-c2ccc(cc2)[N+]([O-])=O)c2cc(ccc12)C1=CCN(CC1)C(=O)CN
Show InChI InChI=1S/C21H21N5O3S/c1-30-21-18-7-2-15(14-8-10-24(11-9-14)20(27)13-22)12-19(18)25(23-21)16-3-5-17(6-4-16)26(28)29/h2-8,12H,9-11,13,22H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+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