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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 = 'BDBM331099'   
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))
BDBM331099
PNG
(US9725445, 15-44)
Show SMILES O=c1[nH]ccc2n(nc(Nc3ccc4c(CN(C5CCOCC5)S4(=O)=O)c3)c12)[C@H]1CCCC[C@@H]1C#N
Show InChI InChI=1S/C25H28N6O4S/c26-14-16-3-1-2-4-20(16)31-21-7-10-27-25(32)23(21)24(29-31)28-18-5-6-22-17(13-18)15-30(36(22,33)34)19-8-11-35-12-9-19/h5-7,10,13,16,19-20H,1-4,8-9,11-12,15H2,(H,27,32)(H,28,29)/t16-,20+/m1/s1
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PC cid
PC sid
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US Patent
n/an/a 57n/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