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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ketohexokinase' and Ligand = 'BDBM494896'   
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))		BDBM494896
PNG
(US10988463, Example 26 | [(1R,5S,6R)-3-{2-[(2S,3R)...)
Show SMILES C[C@@H]1N(C[C@@]1(C)O)c1nc(N2CC3C(CC(O)=O)C3C2)c(C)c(n1)C(F)(F)F
Show InChI InChI=1S/C18H23F3N4O3/c1-8-14(18(19,20)21)22-16(25-7-17(3,28)9(25)2)23-15(8)24-5-11-10(4-13(26)27)12(11)6-24/h9-12,28H,4-7H2,1-3H3,(H,26,27)/t9-,10?,11?,12?,17+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 63.6n/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