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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 = 'BDBM144453'   
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))
BDBM144453
PNG
(US10947243, Example 4 | US8969568, 4 | US9914735, ...)
Show SMILES COc1cc(ccc1OC(F)(F)F)-c1cc2ncccc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1 |r|
Show InChI InChI=1S/C22H20F3N3O4/c1-12(14-9-20(29)27-11-14)31-21-15-4-3-7-26-17(15)10-16(28-21)13-5-6-18(19(8-13)30-2)32-22(23,24)25/h3-8,10,12,14H,9,11H2,1-2H3,(H,27,29)/t12-,14-/m1/s1
PDB
MMDB

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PC cid
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Similars

US Patent
n/an/a 1.90n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

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 US8969568 (2015)


BindingDB Entry DOI: 10.7270/Q2154FRD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM144453
PNG
(US10947243, Example 4 | US8969568, 4 | US9914735, ...)
Show SMILES COc1cc(ccc1OC(F)(F)F)-c1cc2ncccc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1 |r|
Show InChI InChI=1S/C22H20F3N3O4/c1-12(14-9-20(29)27-11-14)31-21-15-4-3-7-26-17(15)10-16(28-21)13-5-6-18(19(8-13)30-2)32-22(23,24)25/h3-8,10,12,14H,9,11H2,1-2H3,(H,27,29)/t12-,14-/m1/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3n/an/an/an/an/an/a



University of Namur



Assay Description
Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie—Dept. of Biochemistry) ...


J Med Chem 51: 3077-80 (2008)


BindingDB Entry DOI: 10.7270/Q21G0PJ6
More data for this
Ligand-Target Pair