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BDBM50535107 CHEMBL4468047

SMILES: CN(C)c1ccc(cn1)-c1cc2ncccc2c(NC[C@H]2CCCNC2)n1

InChI Key: InChIKey=BYMPQGHXDOZTHZ-HNNXBMFYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50535107   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50535107
PNG
(CHEMBL4468047)
Show SMILES CN(C)c1ccc(cn1)-c1cc2ncccc2c(NC[C@H]2CCCNC2)n1 |r|
Show InChI InChI=1S/C21H26N6/c1-27(2)20-8-7-16(14-24-20)18-11-19-17(6-4-10-23-19)21(26-18)25-13-15-5-3-9-22-12-15/h4,6-8,10-11,14-15,22H,3,5,9,12-13H2,1-2H3,(H,25,26)/t15-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.90n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant SYK expressed in baculovirus using Biotin-AAAEEIYGEI as substrate after 60 mins by...


Bioorg Med Chem Lett 26: 4606-4612 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.070
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50535107
PNG
(CHEMBL4468047)
Show SMILES CN(C)c1ccc(cn1)-c1cc2ncccc2c(NC[C@H]2CCCNC2)n1 |r|
Show InChI InChI=1S/C21H26N6/c1-27(2)20-8-7-16(14-24-20)18-11-19-17(6-4-10-23-19)21(26-18)25-13-15-5-3-9-22-12-15/h4,6-8,10-11,14-15,22H,3,5,9,12-13H2,1-2H3,(H,25,26)/t15-/m0/s1
PDB

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 316n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of N-terminal-6His-tagged full length human Aurora B expressed in baculovirus using 5FAM-PKA-tide as substrate after 120 mins by fluoresce...


Bioorg Med Chem Lett 26: 4606-4612 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.070
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50535107
PNG
(CHEMBL4468047)
Show SMILES CN(C)c1ccc(cn1)-c1cc2ncccc2c(NC[C@H]2CCCNC2)n1 |r|
Show InChI InChI=1S/C21H26N6/c1-27(2)20-8-7-16(14-24-20)18-11-19-17(6-4-10-23-19)21(26-18)25-13-15-5-3-9-22-12-15/h4,6-8,10-11,14-15,22H,3,5,9,12-13H2,1-2H3,(H,25,26)/t15-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<5.01E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cell membranes after 2 hrs by cy3b-dofetilide-based fluorescence polarization assay


Bioorg Med Chem Lett 26: 4606-4612 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.070
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50535107
PNG
(CHEMBL4468047)
Show SMILES CN(C)c1ccc(cn1)-c1cc2ncccc2c(NC[C@H]2CCCNC2)n1 |r|
Show InChI InChI=1S/C21H26N6/c1-27(2)20-8-7-16(14-24-20)18-11-19-17(6-4-10-23-19)21(26-18)25-13-15-5-3-9-22-12-15/h4,6-8,10-11,14-15,22H,3,5,9,12-13H2,1-2H3,(H,25,26)/t15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 794n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of SYK in human B cells assessed as suppression of anti-IgM-induced CD69 surface expression preincubated for 30 mins followed by anti-IgM ...


Bioorg Med Chem Lett 26: 4606-4612 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.070
More data for this
Ligand-Target Pair