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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ketohexokinase' and Ligand = 'BDBM494891'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Ketohexokinase


(Homo sapiens (Human))		BDBM494891
PNG
(US10988463, Example 20 | [(1R,5S,6R)-3-{6-(difluor...)
Show SMILES C[C@H]1[C@H](O)CN1c1nc(C(F)F)c(C)c(n1)N1CC2C(CC(O)=O)C2C1
Show InChI InChI=1S/C17H22F2N4O3/c1-7-14(15(18)19)20-17(23-6-12(24)8(23)2)21-16(7)22-4-10-9(3-13(25)26)11(10)5-22/h8-12,15,24H,3-6H2,1-2H3,(H,25,26)/t8-,9?,10?,11?,12+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 33.4n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Assay A, a 384-well format on a Corning 3653 assay plate is used, and monitored by UV-vis spectroscopy in continuous mode at rt. Compounds were prepa...

US Patent US10988463 (2021)


BindingDB Entry DOI: 10.7270/Q2SJ1PRS
More data for this
Ligand-Target Pair