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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 = 'BDBM330980'   
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))
BDBM330980
PNG
(US9725445, 3-161)
Show SMILES COCCC(C)(C)N1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O
Show InChI InChI=1S/C26H32N6O4S/c1-26(2,11-13-36-3)31-16-18-14-19(8-9-22(18)37(31,34)35)29-24-23-21(10-12-28-25(23)33)32(30-24)20-7-5-4-6-17(20)15-27/h8-10,12,14,17,20H,4-7,11,13,16H2,1-3H3,(H,28,33)(H,29,30)/t17-,20+/m1/s1
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PC cid
PC sid
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US Patent
n/an/a 67n/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