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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 = 'BDBM232629'   
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))
BDBM232629
PNG
(US9346815, 175 | US9604984, Example 175)
Show SMILES CCOC(=O)CCCN1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C28H31ClF2N8O4/c1-2-42-22(40)5-3-11-37-13-8-18(9-14-37)39-16-20(24(35-39)19-15-17(29)6-7-21(19)43-28(30)31)34-27(41)23-25(32)36-38-12-4-10-33-26(23)38/h4,6-7,10,12,15-16,18,28H,2-3,5,8-9,11,13-14H2,1H3,(H2,32,36)(H,34,41)
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PC cid
PC sid
UniChem
US Patent
0.130n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US9604984 (2017)


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


(Homo sapiens (Human))
BDBM232629
PNG
(US9346815, 175 | US9604984, Example 175)
Show SMILES CCOC(=O)CCCN1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C28H31ClF2N8O4/c1-2-42-22(40)5-3-11-37-13-8-18(9-14-37)39-16-20(24(35-39)19-15-17(29)6-7-21(19)43-28(30)31)34-27(41)23-25(32)36-38-12-4-10-33-26(23)38/h4,6-7,10,12,15-16,18,28H,2-3,5,8-9,11,13-14H2,1H3,(H2,32,36)(H,34,41)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.130 -55.9n/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