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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase SYK' and Ligand = 'BDBM140369'   
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))
BDBM140369
PNG
(US8912173, 94 | US9914735, Example 94)
Show SMILES C[C@@H](Oc1cc(cc2ncccc12)-c1ccc2n(C)cnc2c1)[C@H]1CNC(=O)C1 |r|
Show InChI InChI=1/C23H22N4O2/c1-14(17-11-23(28)25-12-17)29-22-10-16(9-19-18(22)4-3-7-24-19)15-5-6-21-20(8-15)26-13-27(21)2/h3-10,13-14,17H,11-12H2,1-2H3,(H,25,28)/t14-,17-/s2
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/an/an/an/a7.5-80



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...


US Patent US8912173 (2014)


BindingDB Entry DOI: 10.7270/Q2TX3D3T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM140369
PNG
(US8912173, 94 | US9914735, Example 94)
Show SMILES C[C@@H](Oc1cc(cc2ncccc12)-c1ccc2n(C)cnc2c1)[C@H]1CNC(=O)C1 |r|
Show InChI InChI=1/C23H22N4O2/c1-14(17-11-23(28)25-12-17)29-22-10-16(9-19-18(22)4-3-7-24-19)15-5-6-21-20(8-15)26-13-27(21)2/h3-10,13-14,17H,11-12H2,1-2H3,(H,25,28)/t14-,17-/s2
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 1n/an/an/an/an/an/a



University of Namur





J Med Chem 51: 3077-80 (2008)


Article DOI: 10.1021/jm8002697
More data for this
Ligand-Target Pair