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SMILES: CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CC(F)(F)F)cc1

InChI Key: InChIKey=FSBWGNSNLWKAHE-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 366869   
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))
BDBM366869
PNG
(N-methyl-N-(1- methyl-4-piperidyl)-4- [[8-[1-(3,3,...)
Show SMILES CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CC(F)(F)F)cc1 |t:28|
Show InChI InChI=1S/C28H32F3N7O2/c1-35-14-11-22(12-15-35)36(2)26(40)20-5-7-21(8-6-20)32-27-33-25-23(4-3-13-38(25)34-27)19-9-16-37(17-10-19)24(39)18-28(29,30)31/h3-9,13,22H,10-12,14-18H2,1-2H3,(H,32,34)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
0.290n/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))
BDBM366869
PNG
(N-methyl-N-(1- methyl-4-piperidyl)-4- [[8-[1-(3,3,...)
Show SMILES CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CC(F)(F)F)cc1 |t:28|
Show InChI InChI=1S/C28H32F3N7O2/c1-35-14-11-22(12-15-35)36(2)26(40)20-5-7-21(8-6-20)32-27-33-25-23(4-3-13-38(25)34-27)19-9-16-37(17-10-19)24(39)18-28(29,30)31/h3-9,13,22H,10-12,14-18H2,1-2H3,(H,32,34)
PDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.35n/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