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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase SYK' and Ligand = 'BDBM92625'   
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))
BDBM92625
PNG
(Dimethoxyquinoline, 2)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)c4cccn(Cc5ccccc5)c4=O)nc3)c2cc1OC
Show InChI InChI=1S/C29H24N4O5/c1-36-25-15-22-23(16-26(25)37-2)30-13-12-24(22)38-20-10-11-27(31-17-20)32-28(34)21-9-6-14-33(29(21)35)18-19-7-4-3-5-8-19/h3-17H,18H2,1-2H3,(H,31,32,34)
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n/an/a 100n/an/an/an/a7.425



Pfizer



Assay Description
A Lance TR-FRET assay (Perkin Elmer) was used to measure and compare the potency of compounds against Syk kinase domain.


Chem Biol Drug Des 80: 657-64 (2012)


Article DOI: 10.1111/j.1747-0285.2012.01443.x
BindingDB Entry DOI: 10.7270/Q2BG2MKC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM92625
PNG
(Dimethoxyquinoline, 2)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)c4cccn(Cc5ccccc5)c4=O)nc3)c2cc1OC
Show InChI InChI=1S/C29H24N4O5/c1-36-25-15-22-23(16-26(25)37-2)30-13-12-24(22)38-20-10-11-27(31-17-20)32-28(34)21-9-6-14-33(29(21)35)18-19-7-4-3-5-8-19/h3-17H,18H2,1-2H3,(H,31,32,34)
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n/an/a 100n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1776-1779 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.060
BindingDB Entry DOI: 10.7270/Q2H41TQC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM92625
PNG
(Dimethoxyquinoline, 2)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)c4cccn(Cc5ccccc5)c4=O)nc3)c2cc1OC
Show InChI InChI=1S/C29H24N4O5/c1-36-25-15-22-23(16-26(25)37-2)30-13-12-24(22)38-20-10-11-27(31-17-20)32-28(34)21-9-6-14-33(29(21)35)18-19-7-4-3-5-8-19/h3-17H,18H2,1-2H3,(H,31,32,34)
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n/an/a 100n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) by radiometric assay


Bioorg Med Chem Lett 24: 1523-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.083
BindingDB Entry DOI: 10.7270/Q2X068JR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)