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SMILES: CC1CCCCN1c1nc(cc(n1)C(F)(F)F)N1CC2C(CC(O)=O)C2C1

InChI Key: InChIKey=KZPFYVDBEFGFCK-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 494909   
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))		BDBM494909
PNG
(US10988463, Example 39 | {(1R,5S,6s)-3-[2-(2-methy...)
Show SMILES CC1CCCCN1c1nc(cc(n1)C(F)(F)F)N1CC2C(CC(O)=O)C2C1
Show InChI InChI=1S/C18H23F3N4O2/c1-10-4-2-3-5-25(10)17-22-14(18(19,20)21)7-15(23-17)24-8-12-11(6-16(26)27)13(12)9-24/h7,10-13H,2-6,8-9H2,1H3,(H,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 24.8n/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