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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 = 'BDBM330877'   
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))
BDBM330877
PNG
(US9725445, 3-58)
Show SMILES FC(F)(F)CN1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O
Show InChI InChI=1S/C22H21F3N6O3S/c23-22(24,25)12-30-11-14-9-15(5-6-18(14)35(30,33)34)28-20-19-17(7-8-27-21(19)32)31(29-20)16-4-2-1-3-13(16)10-26/h5-9,13,16H,1-4,11-12H2,(H,27,32)(H,28,29)/t13-,16+/m1/s1
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PC cid
PC sid
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US Patent
n/an/a 50n/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