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SMILES: C[C@H]1CN(C[C@@H](C)O1)C1CCN(CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(CO)(CC2)c2ccc(Cl)cc2)cc1

InChI Key: InChIKey=ADVIMOZEXAPFEG-WMPKNSHKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 366685   
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))
BDBM366685
PNG
(US9873709, Example 1-282 | [4-[[8-[4-(4- chlorophe...)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)C1CCN(CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(CO)(CC2)c2ccc(Cl)cc2)cc1 |r|
Show InChI InChI=1S/C36H44ClN7O3/c1-25-22-43(23-26(2)47-25)31-13-18-42(19-14-31)34(46)27-5-11-30(12-6-27)38-35-39-33-32(4-3-17-44(33)40-35)41-20-15-36(24-45,16-21-41)28-7-9-29(37)10-8-28/h3-12,17,25-26,31,45H,13-16,18-24H2,1-2H3,(H,38,40)/t25-,26+
PDB

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PC cid
PC sid
UniChem
US Patent
0.210n/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))
BDBM366685
PNG
(US9873709, Example 1-282 | [4-[[8-[4-(4- chlorophe...)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)C1CCN(CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(CO)(CC2)c2ccc(Cl)cc2)cc1 |r|
Show InChI InChI=1S/C36H44ClN7O3/c1-25-22-43(23-26(2)47-25)31-13-18-42(19-14-31)34(46)27-5-11-30(12-6-27)38-35-39-33-32(4-3-17-44(33)40-35)41-20-15-36(24-45,16-21-41)28-7-9-29(37)10-8-28/h3-12,17,25-26,31,45H,13-16,18-24H2,1-2H3,(H,38,40)/t25-,26+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.370n/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