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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 18 entry = 50007770   
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))
BDBM50512438
PNG
(CHEMBL4549982)
Show SMILES Nc1nn2cc(cnc2c1C(=O)Nc1ccc(F)cc1)N1CCC[C@@H]1c1cc(F)ccc1F |r|
Show InChI InChI=1S/C23H19F3N6O/c24-13-3-6-15(7-4-13)29-23(33)20-21(27)30-32-12-16(11-28-22(20)32)31-9-1-2-19(31)17-10-14(25)5-8-18(17)26/h3-8,10-12,19H,1-2,9H2,(H2,27,30)(H,29,33)/t19-/m1/s1
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PC cid
PC sid
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Article
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n/an/a>500n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human JAK2 catalytic domain (826 to 1132 end residues) expressed in baculovirus expression system using TK peptid...


Eur J Med Chem 175: 129-148 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.053
BindingDB Entry DOI: 10.7270/Q25M691T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50512420
PNG
(CHEMBL4469681)
Show SMILES NC(=O)c1c(N)nn2cc(cnc12)N1CCC[C@@H]1c1cc(F)ccc1F |r|
Show InChI InChI=1S/C17H16F2N6O/c18-9-3-4-12(19)11(6-9)13-2-1-5-24(13)10-7-22-17-14(16(21)26)15(20)23-25(17)8-10/h3-4,6-8,13H,1-2,5H2,(H2,20,23)(H2,21,26)/t13-/m1/s1
PDB

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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human JAK2 catalytic domain (826 to 1132 end residues) expressed in baculovirus expression system using TK peptid...


Eur J Med Chem 175: 129-148 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.053
BindingDB Entry DOI: 10.7270/Q25M691T
More data for this
Ligand-Target Pair