BindingDB logo
myBDB logout

BDBM342505 US9771375, Example 87::[4-(4-Hydroxy-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-piperidin-1-yl]-piperidin-4-yl-methanone hydrochloride

SMILES: Cc1nn(-c2ccccc2)c2nc(nc(O)c12)C1CCN(CC1)C(=O)C1CCNCC1

InChI Key: InChIKey=KMSKWFLZRPJVRC-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 342505   
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))
BDBM342505
PNG
(US9771375, Example 87 | [4-(4-Hydroxy-3-methyl-1-p...)
Show SMILES Cc1nn(-c2ccccc2)c2nc(nc(O)c12)C1CCN(CC1)C(=O)C1CCNCC1
Show InChI InChI=1S/C23H28N6O2/c1-15-19-21(29(27-15)18-5-3-2-4-6-18)25-20(26-22(19)30)16-9-13-28(14-10-16)23(31)17-7-11-24-12-8-17/h2-6,16-17,24H,7-14H2,1H3,(H,25,26,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
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