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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase SYK' and Ligand = 'BDBM182066'   
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 SYK


(Homo sapiens (Human))
BDBM182066
PNG
(US9145391, 1-34)
Show SMILES CC(C)(O)c1cc(Nc2cc(ccn2)C(F)F)nc(c1)-c1ccc(nc1)C(C)(O)C1CCC(CC1)C(O)=O |(1.67,-8.47,;.33,-9.24,;.33,-10.78,;1.67,-10.01,;-1,-8.47,;-2.33,-9.24,;-3.67,-8.47,;-5,-9.24,;-6.34,-8.47,;-6.34,-6.93,;-7.67,-6.16,;-9,-6.93,;-9,-8.47,;-7.67,-9.24,;-7.67,-4.62,;-9,-3.85,;-6.24,-3.86,;-3.67,-6.93,;-2.33,-6.16,;-1,-6.93,;-2.33,-4.62,;-1,-3.85,;-1,-2.31,;-2.33,-1.54,;-3.67,-2.31,;-3.67,-3.85,;-2.33,,;-3.1,1.33,;-1.56,1.33,;-.79,,;-.02,1.33,;1.52,1.33,;2.34,,;1.52,-1.33,;-.02,-1.33,;3.88,-0,;4.65,-1.33,;4.65,1.33,)|
Show InChI InChI=1S/C28H32F2N4O4/c1-27(2,37)20-13-21(33-24(14-20)34-23-12-17(25(29)30)10-11-31-23)18-6-9-22(32-15-18)28(3,38)19-7-4-16(5-8-19)26(35)36/h6,9-16,19,25,37-38H,4-5,7-8H2,1-3H3,(H,35,36)(H,31,33,34)
PDB
MMDB

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KEGG

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Similars

US Patent
n/an/a 1n/an/an/an/a7.525



Merck Sharp & Dohme Corp.; Merck Canada Inc.

US Patent


Assay Description
A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Carna Bi...


US Patent US9145391 (2015)


BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
More data for this
Ligand-Target Pair