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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ketohexokinase' and Ligand = 'BDBM494919'   
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))		BDBM494919
PNG
(US10988463, Example 53 | [(1R,5S,6R)-3-{5-cyano-2-...)
Show SMILES C[C@H]1[C@H](O)CN1c1nc(N2CC3C(CC(O)=O)C3C2)c(C#N)c(n1)C(F)(F)F
Show InChI InChI=1S/C17H18F3N5O3/c1-7-12(26)6-25(7)16-22-14(17(18,19)20)9(3-21)15(23-16)24-4-10-8(2-13(27)28)11(10)5-24/h7-8,10-12,26H,2,4-6H2,1H3,(H,27,28)/t7-,8?,10?,11?,12+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 21n/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