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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase SYK' and Ligand = 'BDBM50076189'   
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))
BDBM50076189
PNG
(CHEMBL3416024 | US9290481, 4.1)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1/C19H23N7O/c20-12-5-1-2-6-13(12)24-15-10-23-17(18(21)27)19(26-15)25-14-7-3-4-11-8-9-22-16(11)14/h3-4,7-10,12-13,22H,1-2,5-6,20H2,(H2,21,27)(H2,24,25,26)/t12-,13+/s2
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US Patent
n/an/a 2.70n/an/an/an/a7.530



NOVARTIS AG

US Patent


Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...


US Patent US9290481 (2016)


BindingDB Entry DOI: 10.7270/Q2G15ZPR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50076189
PNG
(CHEMBL3416024 | US9290481, 4.1)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1/C19H23N7O/c20-12-5-1-2-6-13(12)24-15-10-23-17(18(21)27)19(26-15)25-14-7-3-4-11-8-9-22-16(11)14/h3-4,7-10,12-13,22H,1-2,5-6,20H2,(H2,21,27)(H2,24,25,26)/t12-,13+/s2
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n/an/a 5n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) using 5-Fluo-Ahx-GAPDYENLQELNKK-Amide as substrate after 60 mins by microfluidic mobility shift assay


J Med Chem 58: 1950-63 (2015)


Article DOI: 10.1021/jm5018863
BindingDB Entry DOI: 10.7270/Q2G44S0C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50076189
PNG
(CHEMBL3416024 | US9290481, 4.1)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1/C19H23N7O/c20-12-5-1-2-6-13(12)24-15-10-23-17(18(21)27)19(26-15)25-14-7-3-4-11-8-9-22-16(11)14/h3-4,7-10,12-13,22H,1-2,5-6,20H2,(H2,21,27)(H2,24,25,26)/t12-,13+/s2
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n/an/a 30n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk in anti-igM stimulated human Ramos B cells assessed as phospho-BLNK level preincubated for 30 mins followed by anti-IgM stimulation...


J Med Chem 58: 1950-63 (2015)


Article DOI: 10.1021/jm5018863
BindingDB Entry DOI: 10.7270/Q2G44S0C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50076189
PNG
(CHEMBL3416024 | US9290481, 4.1)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(Nc2cccc3cc[nH]c23)n1 |r|
Show InChI InChI=1/C19H23N7O/c20-12-5-1-2-6-13(12)24-15-10-23-17(18(21)27)19(26-15)25-14-7-3-4-11-8-9-22-16(11)14/h3-4,7-10,12-13,22H,1-2,5-6,20H2,(H2,21,27)(H2,24,25,26)/t12-,13+/s2
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 302n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk in anti-CD32 stimulated CD14+ human monocytes assessed as phospho-SLP76 level preincubated for 30 mins followed by anti-CD32 stimul...


J Med Chem 58: 1950-63 (2015)


Article DOI: 10.1021/jm5018863
BindingDB Entry DOI: 10.7270/Q2G44S0C
More data for this
Ligand-Target Pair