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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 = 'BDBM331109'   
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))
BDBM331109
PNG
(US9725445, 15-54)
Show SMILES O=c1[nH]ccc2n(nc(Nc3ccc4c(CN(C5CCOCC5)S4(=O)=O)c3)c12)[C@H]1CCCCC[C@@H]1C#N
Show InChI InChI=1S/C26H30N6O4S/c27-15-17-4-2-1-3-5-21(17)32-22-8-11-28-26(33)24(22)25(30-32)29-19-6-7-23-18(14-19)16-31(37(23,34)35)20-9-12-36-13-10-20/h6-8,11,14,17,20-21H,1-5,9-10,12-13,16H2,(H,28,33)(H,29,30)/t17-,21+/m1/s1
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PC cid
PC sid
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US Patent
n/an/a 81n/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