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SMILES: Cc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCC3)c2n1

InChI Key: InChIKey=PKQNMQSZDCVFLD-GOSISDBHSA-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 = 374976   
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))
BDBM374976
PNG
((R)-N-cyclobutyl-5-(2-(5-fluoro-2- methylpyridin-3...)
Show SMILES Cc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCC3)c2n1 |r|
Show InChI InChI=1S/C21H23FN6O/c1-13-16(10-14(22)11-23-13)18-6-3-8-27(18)19-7-9-28-20(26-19)17(12-24-28)21(29)25-15-4-2-5-15/h7,9-12,15,18H,2-6,8H2,1H3,(H,25,29)/t18-/m1/s1
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))
BDBM374976
PNG
((R)-N-cyclobutyl-5-(2-(5-fluoro-2- methylpyridin-3...)
Show SMILES Cc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCC3)c2n1 |r|
Show InChI InChI=1S/C21H23FN6O/c1-13-16(10-14(22)11-23-13)18-6-3-8-27(18)19-7-9-28-20(26-19)17(12-24-28)21(29)25-15-4-2-5-15/h7,9-12,15,18H,2-6,8H2,1H3,(H,25,29)/t18-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.60n/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