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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 = 'BDBM50007161'   
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))
BDBM50007161
PNG
(CHEMBL3237579 | US10112928, Compound I-26)
Show SMILES CCCc1nc(Nc2cc(NCCN)nnc2C(N)=O)ccc1OC
Show InChI InChI=1S/C16H23N7O2/c1-3-4-10-12(25-2)5-6-13(20-10)21-11-9-14(19-8-7-17)22-23-15(11)16(18)24/h5-6,9H,3-4,7-8,17H2,1-2H3,(H2,18,24)(H2,19,20,21,22)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SYK (360 to 635) using biotin-EPEGDYEEVLE as substrate preincubated for 10 mins followed by substrate/ATP/[33Pgamma]ATP addition ...


J Med Chem 57: 2683-91 (2014)


Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50007161
PNG
(CHEMBL3237579 | US10112928, Compound I-26)
Show SMILES CCCc1nc(Nc2cc(NCCN)nnc2C(N)=O)ccc1OC
Show InChI InChI=1S/C16H23N7O2/c1-3-4-10-12(25-2)5-6-13(20-10)21-11-9-14(19-8-7-17)22-23-15(11)16(18)24/h5-6,9H,3-4,7-8,17H2,1-2H3,(H2,18,24)(H2,19,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 126n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of SYK in human whole blood assessed as anti-human IgM-induced CD69 protein expression preincubated for 30 mins followed by anti-human IgM...


J Med Chem 57: 2683-91 (2014)


Article DOI: 10.1021/jm401982j
BindingDB Entry DOI: 10.7270/Q2HT2QTR
More data for this
Ligand-Target Pair