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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK2' and Ligand = 'BDBM50094661'   
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))
BDBM50094661
PNG
(CHEMBL3589166)
Show SMILES COc1cccc(c1)-c1cc(C(N)=O)c2[nH]c3ccc(cc3c2c1)C(=O)N1CCOCC1
Show InChI InChI=1S/C17H21N5O/c1-3-12-5-4-6-13(7-12)8-14(11(2)23)22-10-21-15-16(18)19-9-20-17(15)22/h4-7,9-11,14,23H,3,8H2,1-2H3,(H2,18,19,20)/t11-,14?/m0/s1
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Article
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n/an/a 2.80n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 25: 2809-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.101
BindingDB Entry DOI: 10.7270/Q2BC419G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50094661
PNG
(CHEMBL3589166)
Show SMILES COc1cccc(c1)-c1cc(C(N)=O)c2[nH]c3ccc(cc3c2c1)C(=O)N1CCOCC1
Show InChI InChI=1S/C17H21N5O/c1-3-12-5-4-6-13(7-12)8-14(11(2)23)22-10-21-15-16(18)19-9-20-17(15)22/h4-7,9-11,14,23H,3,8H2,1-2H3,(H2,18,19,20)/t11-,14?/m0/s1
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Article
PubMed
n/an/a 2.80n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.102
BindingDB Entry DOI: 10.7270/Q2251M17
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50094661
PNG
(CHEMBL3589166)
Show SMILES COc1cccc(c1)-c1cc(C(N)=O)c2[nH]c3ccc(cc3c2c1)C(=O)N1CCOCC1
Show InChI InChI=1S/C17H21N5O/c1-3-12-5-4-6-13(7-12)8-14(11(2)23)22-10-21-15-16(18)19-9-20-17(15)22/h4-7,9-11,14,23H,3,8H2,1-2H3,(H2,18,19,20)/t11-,14?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human SET2 cells assessed as inhibition of cell proliferation


Bioorg Med Chem Lett 25: 2809-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.101
BindingDB Entry DOI: 10.7270/Q2BC419G
More data for this
Ligand-Target Pair