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BDBM50379521 CHEMBL2012574

SMILES: COc1ccc2c(c1)n(CCCCN)c1c(nccc21)C(F)(F)F

InChI Key: InChIKey=JVBWXORXTBDUMH-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50379521   
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))
BDBM50379521
PNG
(CHEMBL2012574)
Show SMILES COc1ccc2c(c1)n(CCCCN)c1c(nccc21)C(F)(F)F
Show InChI InChI=1S/C17H18F3N3O/c1-24-11-4-5-12-13-6-8-22-16(17(18,19)20)15(13)23(14(12)10-11)9-3-2-7-21/h4-6,8,10H,2-3,7,9,21H2,1H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.50E+4n/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))
BDBM50379521
PNG
(CHEMBL2012574)
Show SMILES COc1ccc2c(c1)n(CCCCN)c1c(nccc21)C(F)(F)F
Show InChI InChI=1S/C17H18F3N3O/c1-24-11-4-5-12-13-6-8-22-16(17(18,19)20)15(13)23(14(12)10-11)9-3-2-7-21/h4-6,8,10H,2-3,7,9,21H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 100n/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