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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 = 'BDBM50335207'   
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))
BDBM50335207
PNG
(CHEMBL1650731 | N4-[5-(dimethylamino)-1H-pyrazol-3...)
Show SMILES C[C@H](Nc1ncc(F)c(Nc2cc(n[nH]2)N(C)C)n1)c1ncc(F)cn1 |r|
Show InChI InChI=1S/C15H17F2N9/c1-8(13-18-5-9(16)6-19-13)21-15-20-7-10(17)14(23-15)22-11-4-12(25-24-11)26(2)3/h4-8H,1-3H3,(H3,20,21,22,23,24,25)/t8-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using Km ATP concentration


J Med Chem 54: 262-76 (2011)


Article DOI: 10.1021/jm1011319
BindingDB Entry DOI: 10.7270/Q2M32WRM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50335207
PNG
(CHEMBL1650731 | N4-[5-(dimethylamino)-1H-pyrazol-3...)
Show SMILES C[C@H](Nc1ncc(F)c(Nc2cc(n[nH]2)N(C)C)n1)c1ncc(F)cn1 |r|
Show InChI InChI=1S/C15H17F2N9/c1-8(13-18-5-9(16)6-19-13)21-15-20-7-10(17)14(23-15)22-11-4-12(25-24-11)26(2)3/h4-8H,1-3H3,(H3,20,21,22,23,24,25)/t8-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 815n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 5 mM of ATP


J Med Chem 54: 262-76 (2011)


Article DOI: 10.1021/jm1011319
BindingDB Entry DOI: 10.7270/Q2M32WRM
More data for this
Ligand-Target Pair