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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 = 'BDBM50538470'   
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))
BDBM50538470
PNG
(CHEMBL4645344)
Show SMILES C1OCC1N1CCN(CC1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3OCCNc3c2)cc1
Show InChI InChI=1S/C27H29N7O2/c1-6-25-23(28-8-14-36-25)15-19(1)24-16-34-9-7-29-27(34)26(31-24)30-20-2-4-21(5-3-20)32-10-12-33(13-11-32)22-17-35-18-22/h1-7,9,15-16,22,28H,8,10-14,17-18H2,(H,30,31)
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n/an/a 22n/an/an/an/an/an/a



Gilead Sciences

Curated by ChEMBL


Assay Description
Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in presence of ATP measured after 30 mins by TR-FRET assay


ACS Med Chem Lett 11: 506-513 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00621
BindingDB Entry DOI: 10.7270/Q2ZG6WR1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50538470
PNG
(CHEMBL4645344)
Show SMILES C1OCC1N1CCN(CC1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3OCCNc3c2)cc1
Show InChI InChI=1S/C27H29N7O2/c1-6-25-23(28-8-14-36-25)15-19(1)24-16-34-9-7-29-27(34)26(31-24)30-20-2-4-21(5-3-20)32-10-12-33(13-11-32)22-17-35-18-22/h1-7,9,15-16,22,28H,8,10-14,17-18H2,(H,30,31)
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PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.23E+3n/an/an/an/a



Gilead Sciences

Curated by ChEMBL


Assay Description
Inhibition of SYK in human whole blood assessed as reduction in anti-FCepsilonR1 mAb-induced basophil activation by measuring decrease in CD63 surfac...


ACS Med Chem Lett 11: 506-513 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00621
BindingDB Entry DOI: 10.7270/Q2ZG6WR1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50538470
PNG
(CHEMBL4645344)
Show SMILES C1OCC1N1CCN(CC1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3OCCNc3c2)cc1
Show InChI InChI=1S/C27H29N7O2/c1-6-25-23(28-8-14-36-25)15-19(1)24-16-34-9-7-29-27(34)26(31-24)30-20-2-4-21(5-3-20)32-10-12-33(13-11-32)22-17-35-18-22/h1-7,9,15-16,22,28H,8,10-14,17-18H2,(H,30,31)
PDB
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NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 46n/an/an/an/a



Gilead Sciences

Curated by ChEMBL


Assay Description
Inhibition of SYK in human Ramos cells assessed as reduction in antihuman IgM F(ab)2-induced phosphorylation of BLNK at Y96 residue preincubated for ...


ACS Med Chem Lett 11: 506-513 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00621
BindingDB Entry DOI: 10.7270/Q2ZG6WR1
More data for this
Ligand-Target Pair