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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK2' and Ligand = 'BDBM50166922'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50166922
PNG
(CHEMBL3800009)
Show SMILES CCC(=O)Nc1ccc(cc1)-c1ncnc2n(C)c(cc12)C(=O)NCCN1CCCC1
Show InChI InChI=1S/C23H28N6O2/c1-3-20(30)27-17-8-6-16(7-9-17)21-18-14-19(28(2)22(18)26-15-25-21)23(31)24-10-13-29-11-4-5-12-29/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,24,31)(H,27,30)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 67n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged JAK2 expressed in baculovirus expression system using Z'-LYTE Try6 peptide as substrate incubated for 1 hr...


Bioorg Med Chem Lett 26: 2936-2941 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.027
BindingDB Entry DOI: 10.7270/Q2GB25ZS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50166922
PNG
(CHEMBL3800009)
Show SMILES CCC(=O)Nc1ccc(cc1)-c1ncnc2n(C)c(cc12)C(=O)NCCN1CCCC1
Show InChI InChI=1S/C23H28N6O2/c1-3-20(30)27-17-8-6-16(7-9-17)21-18-14-19(28(2)22(18)26-15-25-21)23(31)24-10-13-29-11-4-5-12-29/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,24,31)(H,27,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in GMCSF-stimulated human TF1 cells assessed as suppression of STAT5 phosphorylation preincubated for 2 hrs followed by GMCSF stim...


Bioorg Med Chem Lett 26: 2936-2941 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.027
BindingDB Entry DOI: 10.7270/Q2GB25ZS
More data for this
Ligand-Target Pair