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SMILES: C[C@H]1[C@H](O)CN1c1nc(N2CC3C(CC(O)=O)C3C2)c(Cl)c(n1)C(C)(F)F

InChI Key: InChIKey=NGEBOCPTYJZMAV-IGDWCOGCSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 494889   
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))		BDBM494889
PNG
(US10988463, Example 18 | [(1R,5S,6R)-3-{5-chloro-6...)
Show SMILES C[C@H]1[C@H](O)CN1c1nc(N2CC3C(CC(O)=O)C3C2)c(Cl)c(n1)C(C)(F)F
Show InChI InChI=1S/C17H21ClF2N4O3/c1-7-11(25)6-24(7)16-21-14(17(2,19)20)13(18)15(22-16)23-4-9-8(3-12(26)27)10(9)5-23/h7-11,25H,3-6H2,1-2H3,(H,26,27)/t7-,8?,9?,10?,11+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 16.7n/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