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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM331069'   
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 JAK1


(Homo sapiens (Human))
BDBM331069
PNG
(US9725445, 15-14)
Show SMILES O=c1[nH]ccc2n(nc(Nc3ccc(cc3)-c3cnn(CCC#N)c3)c12)[C@H]1CCCC[C@@H]1C#N
Show InChI InChI=1S/C25H24N8O/c26-11-3-13-32-16-19(15-29-32)17-6-8-20(9-7-17)30-24-23-22(10-12-28-25(23)34)33(31-24)21-5-2-1-4-18(21)14-27/h6-10,12,15-16,18,21H,1-5,13H2,(H,28,34)(H,30,31)/t18-,21+/m1/s1
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PC cid
PC sid
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US Patent
n/an/a 65n/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