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BDBM130569 US8822447, 35::US9771375, Example 35

SMILES: CSc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(CC1)C(=O)C1CCCCN1

InChI Key: InChIKey=TVRNKHLXGWCGRZ-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 = 130569   
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))
BDBM130569
PNG
(US8822447, 35 | US9771375, Example 35)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(CC1)C(=O)C1CCCCN1
Show InChI InChI=1/C24H29N5OS/c1-31-23-20-11-10-19(17-22(20)29(26-23)18-7-3-2-4-8-18)27-13-15-28(16-14-27)24(30)21-9-5-6-12-25-21/h2-4,7-8,10-11,17,21,25H,5-6,9,12-16H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 430n/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))
BDBM130569
PNG
(US8822447, 35 | US9771375, Example 35)
Show SMILES CSc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(CC1)C(=O)C1CCCCN1
Show InChI InChI=1/C24H29N5OS/c1-31-23-20-11-10-19(17-22(20)29(26-23)18-7-3-2-4-8-18)27-13-15-28(16-14-27)24(30)21-9-5-6-12-25-21/h2-4,7-8,10-11,17,21,25H,5-6,9,12-16H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 430n/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