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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 = 'BDBM50538444'   
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))
BDBM50538444
PNG
(CHEMBL4640287)
Show SMILES [H][C@]12CC[C@]([H])(CN(C1)c1ccc(Nc3nc(cn4ccnc34)-c3ccc4cn[nH]c4c3)cc1)O2 |r|
Show InChI InChI=1S/C25H23N7O/c1-2-17-12-27-30-22(17)11-16(1)23-15-31-10-9-26-25(31)24(29-23)28-18-3-5-19(6-4-18)32-13-20-7-8-21(14-32)33-20/h1-6,9-12,15,20-21H,7-8,13-14H2,(H,27,30)(H,28,29)/t20-,21+
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.30n/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))
BDBM50538444
PNG
(CHEMBL4640287)
Show SMILES [H][C@]12CC[C@]([H])(CN(C1)c1ccc(Nc3nc(cn4ccnc34)-c3ccc4cn[nH]c4c3)cc1)O2 |r|
Show InChI InChI=1S/C25H23N7O/c1-2-17-12-27-30-22(17)11-16(1)23-15-31-10-9-26-25(31)24(29-23)28-18-3-5-19(6-4-18)32-13-20-7-8-21(14-32)33-20/h1-6,9-12,15,20-21H,7-8,13-14H2,(H,27,30)(H,28,29)/t20-,21+
PDB
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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.33E+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))
BDBM50538444
PNG
(CHEMBL4640287)
Show SMILES [H][C@]12CC[C@]([H])(CN(C1)c1ccc(Nc3nc(cn4ccnc34)-c3ccc4cn[nH]c4c3)cc1)O2 |r|
Show InChI InChI=1S/C25H23N7O/c1-2-17-12-27-30-22(17)11-16(1)23-15-31-10-9-26-25(31)24(29-23)28-18-3-5-19(6-4-18)32-13-20-7-8-21(14-32)33-20/h1-6,9-12,15,20-21H,7-8,13-14H2,(H,27,30)(H,28,29)/t20-,21+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 162n/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