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BDBM342512 3-Ethyl-1-phenyl-6-(1-pyrrolidin-3-yl-piperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-ol hydrochloride::US9771375, Example 94

SMILES: CCc1nn(-c2ccccc2)c2nc(nc(O)c12)C1CCN(CC1)C1CCNC1

InChI Key: InChIKey=LKFFLHOESDJYRB-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 342512   
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))
BDBM342512
PNG
(3-Ethyl-1-phenyl-6-(1-pyrrolidin-3-yl-piperidin-4-...)
Show SMILES CCc1nn(-c2ccccc2)c2nc(nc(O)c12)C1CCN(CC1)C1CCNC1
Show InChI InChI=1S/C22H28N6O/c1-2-18-19-21(28(26-18)16-6-4-3-5-7-16)24-20(25-22(19)29)15-9-12-27(13-10-15)17-8-11-23-14-17/h3-7,15,17,23H,2,8-14H2,1H3,(H,24,25,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.27E+3n/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