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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 = 'BDBM331126'   
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))
BDBM331126
PNG
(US9725445, 15-71 | US9725445, 15-72)
Show SMILES FC(F)(F)C1(CCCCN1)c1ccc(Nc2nn([C@H]3CCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1
Show InChI InChI=1S/C24H25F3N6O/c25-24(26,27)23(11-1-2-12-30-23)16-6-8-17(9-7-16)31-21-20-19(10-13-29-22(20)34)33(32-21)18-5-3-4-15(18)14-28/h6-10,13,15,18,30H,1-5,11-12H2,(H,29,34)(H,31,32)/t15-,18+,23?/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 85n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM331126
PNG
(US9725445, 15-71 | US9725445, 15-72)
Show SMILES FC(F)(F)C1(CCCCN1)c1ccc(Nc2nn([C@H]3CCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1
Show InChI InChI=1S/C24H25F3N6O/c25-24(26,27)23(11-1-2-12-30-23)16-6-8-17(9-7-16)31-21-20-19(10-13-29-22(20)34)33(32-21)18-5-3-4-15(18)14-28/h6-10,13,15,18,30H,1-5,11-12H2,(H,29,34)(H,31,32)/t15-,18+,23?/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 90n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

More data for this
Ligand-Target Pair