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SMILES: C[C@H]1CCN1c1nc(cc(C(F)F)c1C#N)N1CC2C(CC(O)=O)C2C1

InChI Key: InChIKey=KTDXNMLAVSCAQW-CBWZGZIKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 494890   
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))		BDBM494890
PNG
(US10988463, Example 19 | [(1R,5S,6R)-3-{5-cyano-4-...)
Show SMILES C[C@H]1CCN1c1nc(cc(C(F)F)c1C#N)N1CC2C(CC(O)=O)C2C1
Show InChI InChI=1S/C18H20F2N4O2/c1-9-2-3-24(9)18-12(6-21)11(17(19)20)4-15(22-18)23-7-13-10(5-16(25)26)14(13)8-23/h4,9-10,13-14,17H,2-3,5,7-8H2,1H3,(H,25,26)/t9-,10?,13?,14?/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.20n/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)

More data for this
Ligand-Target Pair