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SMILES: OCC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NC3CCN(CC3)C3CCCC3)nc12)c1ccc(Cl)cc1

InChI Key: InChIKey=CUDGQJAWUZBIQT-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 = 366683   
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))
BDBM366683
PNG
(4-[[8-[4-(4- chlorophenyl)-4- (hydroxymethyl)-1- p...)
Show SMILES OCC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NC3CCN(CC3)C3CCCC3)nc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C35H42ClN7O2/c36-27-11-9-26(10-12-27)35(24-44)17-22-42(23-18-35)31-6-3-19-43-32(31)39-34(40-43)38-28-13-7-25(8-14-28)33(45)37-29-15-20-41(21-16-29)30-4-1-2-5-30/h3,6-14,19,29-30,44H,1-2,4-5,15-18,20-24H2,(H,37,45)(H,38,40)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
0.230n/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))
BDBM366683
PNG
(4-[[8-[4-(4- chlorophenyl)-4- (hydroxymethyl)-1- p...)
Show SMILES OCC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NC3CCN(CC3)C3CCCC3)nc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C35H42ClN7O2/c36-27-11-9-26(10-12-27)35(24-44)17-22-42(23-18-35)31-6-3-19-43-32(31)39-34(40-43)38-28-13-7-25(8-14-28)33(45)37-29-15-20-41(21-16-29)30-4-1-2-5-30/h3,6-14,19,29-30,44H,1-2,4-5,15-18,20-24H2,(H,37,45)(H,38,40)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.300n/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