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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 = 'BDBM229016'   
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))
BDBM229016
PNG
(US9328099, 11-1)
Show SMILES Cn1cc(cn1)-c1ccc(Nc2nn(cc2C(N)=O)C2(CC#N)CCN(CC2)C(=O)OCC(F)(F)F)cn1
Show InChI InChI=1S/C23H24F3N9O3/c1-33-12-15(10-30-33)18-3-2-16(11-29-18)31-20-17(19(28)36)13-35(32-20)22(4-7-27)5-8-34(9-6-22)21(37)38-14-23(24,25)26/h2-3,10-13H,4-6,8-9,14H2,1H3,(H2,28,36)(H,31,32)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.0300n/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