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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 = 'BDBM50069326'   
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))
BDBM50069326
PNG
(CHEMBL3403541 | US9688661, 1-(5-Chloro-2-methylphe...)
Show SMILES Cc1ccc(Cl)cc1-n1cc(cc1C(N)=O)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C18H14ClN5O/c1-10-2-3-12(19)7-14(10)24-8-11(6-15(24)17(20)25)16-13-4-5-21-18(13)23-9-22-16/h2-9H,1H3,(H2,20,25)(H,21,22,23)
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PC cid
PC sid
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Similars

US Patent
n/an/a 1n/an/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
Assays were performed with the commercially available JAK2 kinase domain (Invitrogen, Eugene, Oreg.) that showed a linear kinetic without prephosphor...


US Patent US9688661 (2017)


BindingDB Entry DOI: 10.7270/Q2K35RTP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50069326
PNG
(CHEMBL3403541 | US9688661, 1-(5-Chloro-2-methylphe...)
Show SMILES Cc1ccc(Cl)cc1-n1cc(cc1C(N)=O)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C18H14ClN5O/c1-10-2-3-12(19)7-14(10)24-8-11(6-15(24)17(20)25)16-13-4-5-21-18(13)23-9-22-16/h2-9H,1H3,(H2,20,25)(H,21,22,23)
PDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of recombinant epitope-tagged JAK2 (808 to 1132) (unknown origin) using LPLDKDYYVVREPGQ as substrate by beta-countiing analysis in presenc...


Bioorg Med Chem 23: 2387-407 (2015)


Article DOI: 10.1016/j.bmc.2015.03.059
BindingDB Entry DOI: 10.7270/Q2Q52RB6
More data for this
Ligand-Target Pair