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BDBM50467663 CHEMBL4285153

SMILES: CCOc1ccnc(COc2ccc(cc2-c2ccc3CCNCCc3c2)C(C)=O)c1

InChI Key: InChIKey=HFPHJFBAGWOOFH-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50467663   
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
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50467663
PNG
(CHEMBL4285153)
Show SMILES CCOc1ccnc(COc2ccc(cc2-c2ccc3CCNCCc3c2)C(C)=O)c1
Show InChI InChI=1S/C26H28N2O3/c1-3-30-24-10-13-28-23(16-24)17-31-26-7-6-20(18(2)29)15-25(26)22-5-4-19-8-11-27-12-9-21(19)14-22/h4-7,10,13-16,27H,3,8-9,11-12,17H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.98E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLAG/His6-tagged Aurora-B (2 to 344 residues)/GST-tagged INCENP preincubated for 30 mins followed by 5FAM-PKA-tide su...


Bioorg Med Chem Lett 28: 3458-3462 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.022
BindingDB Entry DOI: 10.7270/Q2X3515K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50467663
PNG
(CHEMBL4285153)
Show SMILES CCOc1ccnc(COc2ccc(cc2-c2ccc3CCNCCc3c2)C(C)=O)c1
Show InChI InChI=1S/C26H28N2O3/c1-3-30-24-10-13-28-23(16-24)17-31-26-7-6-20(18(2)29)15-25(26)22-5-4-19-8-11-27-12-9-21(19)14-22/h4-7,10,13-16,27H,3,8-9,11-12,17H2,1-2H3
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 631n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of SYK in human Ramos B cells assessed as reduction in anti-human IgM Fab2 fragment-induced ERK phosphorylation preincubated for 30 mins f...


Bioorg Med Chem Lett 28: 3458-3462 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.022
BindingDB Entry DOI: 10.7270/Q2X3515K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50467663
PNG
(CHEMBL4285153)
Show SMILES CCOc1ccnc(COc2ccc(cc2-c2ccc3CCNCCc3c2)C(C)=O)c1
Show InChI InChI=1S/C26H28N2O3/c1-3-30-24-10-13-28-23(16-24)17-31-26-7-6-20(18(2)29)15-25(26)22-5-4-19-8-11-27-12-9-21(19)14-22/h4-7,10,13-16,27H,3,8-9,11-12,17H2,1-2H3
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 200n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged SYK expressed in baculovirus expression system using Biotin-AAAEEIYGEI as substrate after 60 m...


Bioorg Med Chem Lett 28: 3458-3462 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.022
BindingDB Entry DOI: 10.7270/Q2X3515K
More data for this
Ligand-Target Pair