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SMILES: FC(F)CNC(=O)c1cnn2ccc(nc12)N1CCCC1c1cncc(F)c1

InChI Key: InChIKey=OCDHRWHIOLGDFC-UHFFFAOYSA-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 2 hits for monomerid = 374930   
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))
BDBM374930
PNG
((R)-N-(2,2-difluoroethyl)-5-(2-(5- fluoropyridin-3...)
Show SMILES FC(F)CNC(=O)c1cnn2ccc(nc12)N1CCCC1c1cncc(F)c1
Show InChI InChI=1S/C18H17F3N6O/c19-12-6-11(7-22-8-12)14-2-1-4-26(14)16-3-5-27-17(25-16)13(9-24-27)18(28)23-10-15(20)21/h3,5-9,14-15H,1-2,4,10H2,(H,23,28)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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))
BDBM374930
PNG
((R)-N-(2,2-difluoroethyl)-5-(2-(5- fluoropyridin-3...)
Show SMILES FC(F)CNC(=O)c1cnn2ccc(nc12)N1CCCC1c1cncc(F)c1
Show InChI InChI=1S/C18H17F3N6O/c19-12-6-11(7-22-8-12)14-2-1-4-26(14)16-3-5-27-17(25-16)13(9-24-27)18(28)23-10-15(20)21/h3,5-9,14-15H,1-2,4,10H2,(H,23,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.40n/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