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SMILES: C[C@@H](NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cncc(F)c1)C(F)(F)F

InChI Key: InChIKey=KJYXTMLZCPHUAV-IAQYHMDHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 374925   
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
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM374925
PNG
(5-((R)-2-(5-fluoropyridin-3- yl)pyrrolidin-1-yl)-N...)
Show SMILES C[C@@H](NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cncc(F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C19H18F4N6O/c1-11(19(21,22)23)26-18(30)14-10-25-29-6-4-16(27-17(14)29)28-5-2-3-15(28)12-7-13(20)9-24-8-12/h4,6-11,15H,2-3,5H2,1H3,(H,26,30)/t11-,15-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
An enzyme-linked immunosorbant assay (ELISA) was used to assess TrkA kinase activity in the presence of inhibitors. Immulon 4HBX 384-well microtiter ...


J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM374925
PNG
(5-((R)-2-(5-fluoropyridin-3- yl)pyrrolidin-1-yl)-N...)
Show SMILES C[C@@H](NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cncc(F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C19H18F4N6O/c1-11(19(21,22)23)26-18(30)14-10-25-29-6-4-16(27-17(14)29)28-5-2-3-15(28)12-7-13(20)9-24-8-12/h4,6-11,15H,2-3,5H2,1H3,(H,26,30)/t11-,15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...


J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair