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BDBM50437861 CHEMBL2407917

SMILES: CNC(=O)c1ccc2NC(=O)\C(=C\c3ccc4cn[nH]c4c3)c2c1

InChI Key: InChIKey=MDYWOSMFBZFSBX-MKMNVTDBSA-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 = 50437861   
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))
BDBM50437861
PNG
(CHEMBL2407917)
Show SMILES CNC(=O)c1ccc2NC(=O)\C(=C\c3ccc4cn[nH]c4c3)c2c1
Show InChI InChI=1S/C18H14N4O2/c1-19-17(23)11-4-5-15-13(8-11)14(18(24)21-15)6-10-2-3-12-9-20-22-16(12)7-10/h2-9H,1H3,(H,19,23)(H,20,22)(H,21,24)/b14-6+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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 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))
BDBM50437861
PNG
(CHEMBL2407917)
Show SMILES CNC(=O)c1ccc2NC(=O)\C(=C\c3ccc4cn[nH]c4c3)c2c1
Show InChI InChI=1S/C18H14N4O2/c1-19-17(23)11-4-5-15-13(8-11)14(18(24)21-15)6-10-2-3-12-9-20-22-16(12)7-10/h2-9H,1H3,(H,19,23)(H,20,22)(H,21,24)/b14-6+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.90E+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