BindingDB logo
myBDB logout

BDBM50379514 CHEMBL2012567

SMILES: COc1cccc2n(CCCCN)c3c(C)nccc3c12

InChI Key: InChIKey=FEWMHJQJZPACNP-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 = 50379514   
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
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50379514
PNG
(CHEMBL2012567)
Show SMILES COc1cccc2n(CCCCN)c3c(C)nccc3c12
Show InChI InChI=1S/C17H21N3O/c1-12-17-13(8-10-19-12)16-14(6-5-7-15(16)21-2)20(17)11-4-3-9-18/h5-8,10H,3-4,9,11,18H2,1-2H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged DYRK2 expressed in baculovirus using DYRKtide-F as substrate assessed as inhibition of [33P] incorporation ...


Bioorg Med Chem Lett 22: 2015-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.028
BindingDB Entry DOI: 10.7270/Q20K29KK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50379514
PNG
(CHEMBL2012567)
Show SMILES COc1cccc2n(CCCCN)c3c(C)nccc3c12
Show InChI InChI=1S/C17H21N3O/c1-12-17-13(8-10-19-12)16-14(6-5-7-15(16)21-2)20(17)11-4-3-9-18/h5-8,10H,3-4,9,11,18H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal MBP-tagged haspin kinase expressed in Escherichia coli DE3 after 10 mins by TR-FRET assay


Bioorg Med Chem Lett 22: 2015-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.028
BindingDB Entry DOI: 10.7270/Q20K29KK
More data for this
Ligand-Target Pair