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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 = 'BDBM50530780'   
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))
BDBM50530780
PNG
(CHEMBL4450301)
Show SMILES C[C@H](c1ccccc1)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r|
Show InChI InChI=1S/C20H15FN6O/c1-12(13-5-3-2-4-6-13)27-19-15(24-20(27)28)9-23-18(25-19)16-10-22-17-8-7-14(21)11-26(16)17/h2-12H,1H3,(H,24,28)/t12-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using PolyGT-Biotin as s...


J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50530780
PNG
(CHEMBL4450301)
Show SMILES C[C@H](c1ccccc1)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r|
Show InChI InChI=1S/C20H15FN6O/c1-12(13-5-3-2-4-6-13)27-19-15(24-20(27)28)9-23-18(25-19)16-10-22-17-8-7-14(21)11-26(16)17/h2-12H,1H3,(H,24,28)/t12-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using PolyGT-Biotin as s...


J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair