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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 = 'BDBM237899'   
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))
BDBM237899
PNG
(US9394282, 9-34)
Show SMILES CN(C)C(=O)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2COCC[C@@H]2C#N)cc1
Show InChI InChI=1S/C19H22N6O3/c1-24(2)19(27)12-3-5-14(6-4-12)22-18-15(17(21)26)10-25(23-18)16-11-28-8-7-13(16)9-20/h3-6,10,13,16H,7-8,11H2,1-2H3,(H2,21,26)(H,22,23)/t13-,16+/m1/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.0500n/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 US9394282 (2016)


BindingDB Entry DOI: 10.7270/Q2J10233
More data for this
Ligand-Target Pair