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BDBM50467675 CHEMBL4280620

SMILES: CC(=O)c1ccc(OCc2ccccn2)c(c1)-c1ccc2CCNCCc2c1

InChI Key: InChIKey=SMCVDPXIAQLLPB-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50467675   
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))
BDBM50467675
PNG
(CHEMBL4280620)
Show SMILES CC(=O)c1ccc(OCc2ccccn2)c(c1)-c1ccc2CCNCCc2c1
Show InChI InChI=1S/C24H24N2O2/c1-17(27)19-7-8-24(28-16-22-4-2-3-11-26-22)23(15-19)21-6-5-18-9-12-25-13-10-20(18)14-21/h2-8,11,14-15,25H,9-10,12-13,16H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<2.51E+4n/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))
BDBM50467675
PNG
(CHEMBL4280620)
Show SMILES CC(=O)c1ccc(OCc2ccccn2)c(c1)-c1ccc2CCNCCc2c1
Show InChI InChI=1S/C24H24N2O2/c1-17(27)19-7-8-24(28-16-22-4-2-3-11-26-22)23(15-19)21-6-5-18-9-12-25-13-10-20(18)14-21/h2-8,11,14-15,25H,9-10,12-13,16H2,1H3
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