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BDBM50437866 CHEMBL2407905

SMILES: COc1cc(\C=C2/C(=O)Nc3ccc(Br)cc23)cc(Br)c1OC

InChI Key: InChIKey=DMFNFAMMDAVMRL-XGICHPGQSA-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 = 50437866   
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
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50437866
PNG
(CHEMBL2407905)
Show SMILES COc1cc(\C=C2/C(=O)Nc3ccc(Br)cc23)cc(Br)c1OC
Show InChI InChI=1S/C17H13Br2NO3/c1-22-15-7-9(6-13(19)16(15)23-2)5-12-11-8-10(18)3-4-14(11)20-17(12)21/h3-8H,1-2H3,(H,20,21)/b12-5-
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human PLK4 (1 to 391 amino acids) expressed in Escherichia coli using TMB as substrate after 30 mins by indirect ...


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50437866
PNG
(CHEMBL2407905)
Show SMILES COc1cc(\C=C2/C(=O)Nc3ccc(Br)cc23)cc(Br)c1OC
Show InChI InChI=1S/C17H13Br2NO3/c1-22-15-7-9(6-13(19)16(15)23-2)5-12-11-8-10(18)3-4-14(11)20-17(12)21/h3-8H,1-2H3,(H,20,21)/b12-5-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin) by FRET-based homogeneous assay


J Med Chem 56: 6069-87 (2013)


Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9
More data for this
Ligand-Target Pair