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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 = 'BDBM232754'   
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))
BDBM232754
PNG
(US9346815, 300 | US9604984, Example 300)
Show SMILES CCN(Cc1ccnc(Cl)c1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C27H22Cl2F2N8O3/c1-2-37(13-16-6-8-32-22(29)10-16)23(40)15-38-14-20(35-26(41)19-12-34-39-9-3-7-33-25(19)39)24(36-38)18-11-17(28)4-5-21(18)42-27(30)31/h3-12,14,27H,2,13,15H2,1H3,(H,35,41)
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PC cid
PC sid
UniChem
US Patent
0.180n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9604984 (2017)


BindingDB Entry DOI: 10.7270/Q26D5W25
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM232754
PNG
(US9346815, 300 | US9604984, Example 300)
Show SMILES CCN(Cc1ccnc(Cl)c1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C27H22Cl2F2N8O3/c1-2-37(13-16-6-8-32-22(29)10-16)23(40)15-38-14-20(35-26(41)19-12-34-39-9-3-7-33-25(19)39)24(36-38)18-11-17(28)4-5-21(18)42-27(30)31/h3-12,14,27H,2,13,15H2,1H3,(H,35,41)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.180 -55.1n/an/an/an/an/a7.222



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair