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SMILES: CN(Cc1ccncc1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1

InChI Key: InChIKey=AOLYVYZAJDHUGC-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 = 367108   
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))
BDBM367108
PNG
(N-methyl-N-(4- pyridylmethyl)-4-[[8- [1-(4,4,4- tr...)
Show SMILES CN(Cc1ccncc1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:28|
Show InChI InChI=1S/C29H28F3N7O2/c1-37(19-20-9-14-33-15-10-20)27(41)22-4-6-23(7-5-22)34-28-35-26-24(3-2-16-39(26)36-28)21-11-17-38(18-12-21)25(40)8-13-29(30,31)32/h2-7,9-11,14-16H,8,12-13,17-19H2,1H3,(H,34,36)
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UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
0.280n/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))
BDBM367108
PNG
(N-methyl-N-(4- pyridylmethyl)-4-[[8- [1-(4,4,4- tr...)
Show SMILES CN(Cc1ccncc1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:28|
Show InChI InChI=1S/C29H28F3N7O2/c1-37(19-20-9-14-33-15-10-20)27(41)22-4-6-23(7-5-22)34-28-35-26-24(3-2-16-39(26)36-28)21-11-17-38(18-12-21)25(40)8-13-29(30,31)32/h2-7,9-11,14-16H,8,12-13,17-19H2,1H3,(H,34,36)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.630n/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