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SMILES: CC1CCCN1c1nc(cc(C(F)F)c1C#N)N1CC2C(CC(O)=O)C2C1

InChI Key: InChIKey=FSANLYQNVQEQAR-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 494908   
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))		BDBM494908
PNG
(US10988463, Example 38 | {(1R,5S,6s)-3-[5-cyano-4-...)
Show SMILES CC1CCCN1c1nc(cc(C(F)F)c1C#N)N1CC2C(CC(O)=O)C2C1
Show InChI InChI=1S/C19H22F2N4O2/c1-10-3-2-4-25(10)19-13(7-22)12(18(20)21)5-16(23-19)24-8-14-11(6-17(26)27)15(14)9-24/h5,10-11,14-15,18H,2-4,6,8-9H2,1H3,(H,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 25.3n/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