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SMILES: CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC#N)cc1

InChI Key: InChIKey=ZTMATJVZOWHTKP-UHFFFAOYSA-N

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

Found 2 hits for monomerid = 366991   
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))
BDBM366991
PNG
(4-[[8-[1-(3- cyanopropanoyl)-3,6- dihydro-2H-pyrid...)
Show SMILES CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC#N)cc1 |t:28|
Show InChI InChI=1S/C29H34N8O2/c1-34-17-13-24(14-18-34)35(2)28(39)22-7-9-23(10-8-22)31-29-32-27-25(5-4-16-37(27)33-29)21-11-19-36(20-12-21)26(38)6-3-15-30/h4-5,7-11,16,24H,3,6,12-14,17-20H2,1-2H3,(H,31,33)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
0.220n/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))
BDBM366991
PNG
(4-[[8-[1-(3- cyanopropanoyl)-3,6- dihydro-2H-pyrid...)
Show SMILES CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC#N)cc1 |t:28|
Show InChI InChI=1S/C29H34N8O2/c1-34-17-13-24(14-18-34)35(2)28(39)22-7-9-23(10-8-22)31-29-32-27-25(5-4-16-37(27)33-29)21-11-19-36(20-12-21)26(38)6-3-15-30/h4-5,7-11,16,24H,3,6,12-14,17-20H2,1-2H3,(H,31,33)
PDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.10n/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