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Patent code US10781212

Compile Data Set for Download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ketohexokinase (KHK) Isoform C


(Homo sapiens (Human))
BDBM463759
PNG
(2-[(3R)-1-[5-cyano-6-[(2S)-2-methylazetidin-1-yl]-...)
Show SMILES C[C@H]1CCN1c1nc(cc(c1C#N)C(F)(F)F)N1CC[C@H](CC(O)=O)C1
Show InChI InChI=1S/C17H19F3N4O2/c1-10-2-5-24(10)16-12(8-21)13(17(18,19)20)7-14(22-16)23-4-3-11(9-23)6-15(25)26/h7,10-11H,2-6,9H2,1H3,(H,25,26)/t10-,11+/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 9n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The intrinsic potency of the compounds may be measured using an enzymatic assay which measures the production of F P. Compounds are prepared in DMSO ...


US Patent US10781212 (2020)

More data for this
Ligand-Target Pair
Ketohexokinase (KHK) Isoform A


(Homo sapiens (Human))
BDBM463759
PNG
(2-[(3R)-1-[5-cyano-6-[(2S)-2-methylazetidin-1-yl]-...)
Show SMILES C[C@H]1CCN1c1nc(cc(c1C#N)C(F)(F)F)N1CC[C@H](CC(O)=O)C1
Show InChI InChI=1S/C17H19F3N4O2/c1-10-2-5-24(10)16-12(8-21)13(17(18,19)20)7-14(22-16)23-4-3-11(9-23)6-15(25)26/h7,10-11H,2-6,9H2,1H3,(H,25,26)/t10-,11+/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 19n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The intrinsic potency of the compounds may be measured using an enzymatic assay which measures the production of F P. Compounds are prepared in DMSO ...


US Patent US10781212 (2020)

More data for this
Ligand-Target Pair
Ketohexokinase (KHK) Isoform C


(Homo sapiens (Human))
BDBM463760
PNG
(2-[1-[5-cyano-6-[(2S)-2-methylazetidin-1-yl]-4-(tr...)
Show SMILES C[C@H]1CCN1c1nc(cc(c1C#N)C(F)(F)F)N1CC(CC(O)=O)C1
Show InChI InChI=1S/C16H17F3N4O2/c1-9-2-3-23(9)15-11(6-20)12(16(17,18)19)5-13(21-15)22-7-10(8-22)4-14(24)25/h5,9-10H,2-4,7-8H2,1H3,(H,24,25)/t9-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 27n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The intrinsic potency of the compounds may be measured using an enzymatic assay which measures the production of F P. Compounds are prepared in DMSO ...


US Patent US10781212 (2020)

More data for this
Ligand-Target Pair
Ketohexokinase (KHK) Isoform A


(Homo sapiens (Human))
BDBM463760
PNG
(2-[1-[5-cyano-6-[(2S)-2-methylazetidin-1-yl]-4-(tr...)
Show SMILES C[C@H]1CCN1c1nc(cc(c1C#N)C(F)(F)F)N1CC(CC(O)=O)C1
Show InChI InChI=1S/C16H17F3N4O2/c1-9-2-3-23(9)15-11(6-20)12(16(17,18)19)5-13(21-15)22-7-10(8-22)4-14(24)25/h5,9-10H,2-4,7-8H2,1H3,(H,24,25)/t9-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 37n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The intrinsic potency of the compounds may be measured using an enzymatic assay which measures the production of F P. Compounds are prepared in DMSO ...


US Patent US10781212 (2020)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%