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SMILES: FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN(CC4CCCO4)CC3)nc12

InChI Key: InChIKey=SUGBATOGGVLQQP-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 367043   
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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM367043
PNG
(4,4,4-trifluoro-1-[4-[2- [4-[4-(tetrahydrofuran- 2...)
Show SMILES FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN(CC4CCCO4)CC3)nc12 |c:11|
Show InChI InChI=1S/C31H36F3N7O3/c32-31(33,34)12-9-27(42)39-14-10-22(11-15-39)26-4-1-13-41-28(26)36-30(37-41)35-24-7-5-23(6-8-24)29(43)40-18-16-38(17-19-40)21-25-3-2-20-44-25/h1,4-8,10,13,25H,2-3,9,11-12,14-21H2,(H,35,37)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
0.310n/an/an/an/an/an/an/an/a



Duquesne University



Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM367043
PNG
(4,4,4-trifluoro-1-[4-[2- [4-[4-(tetrahydrofuran- 2...)
Show SMILES FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCN(CC4CCCO4)CC3)nc12 |c:11|
Show InChI InChI=1S/C31H36F3N7O3/c32-31(33,34)12-9-27(42)39-14-10-22(11-15-39)26-4-1-13-41-28(26)36-30(37-41)35-24-7-5-23(6-8-24)29(43)40-18-16-38(17-19-40)21-25-3-2-20-44-25/h1,4-8,10,13,25H,2-3,9,11-12,14-21H2,(H,35,37)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.950n/an/an/an/an/an/an/an/a



Duquesne University



Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair