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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 = 'BDBM229200'   
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))
BDBM229200
PNG
(US9328099, 30-27)
Show SMILES NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(CC1)C(=O)OCC(F)F
Show InChI InChI=1S/C19H20F3N7O3/c20-14(21)11-32-18(31)28-7-3-19(2-5-23,4-8-28)29-10-13(16(24)30)17(27-29)26-12-1-6-25-15(22)9-12/h1,6,9-10,14H,2-4,7-8,11H2,(H2,24,30)(H,25,26,27)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.0700n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...


US Patent US9328099 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J42
More data for this
Ligand-Target Pair