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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ketohexokinase' and Ligand = 'BDBM494921'   
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))		BDBM494921
PNG
(US10988463, Example 55 | [(1R,5S,6R)-3-{5-cyano-4-...)
Show SMILES C[C@@H]1N(C[C@@]1(C)O)c1nc(cc(C(F)F)c1C#N)N1CC2C(CC(O)=O)C2C1
Show InChI InChI=1S/C19H22F2N4O3/c1-9-19(2,28)8-25(9)18-12(5-22)11(17(20)21)3-15(23-18)24-6-13-10(4-16(26)27)14(13)7-24/h3,9-10,13-14,17,28H,4,6-8H2,1-2H3,(H,26,27)/t9-,10?,13?,14?,19+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 13.7n/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