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BDBM50437850 CHEMBL2407747

SMILES: CCc1ccc2NC(=O)\C(=C\c3ccc4c(\C=C\c5cccnc5)n[nH]c4c3)c2c1

InChI Key: InChIKey=OLRQMHGOBAYXHZ-FPQBULDBSA-N

Data: 4 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 4 hits for monomerid = 50437850   
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 PLK3


(Homo sapiens (Human))
BDBM50437850
PNG
(CHEMBL2407747)
Show SMILES CCc1ccc2NC(=O)\C(=C\c3ccc4c(\C=C\c5cccnc5)n[nH]c4c3)c2c1
Show InChI InChI=1S/C25H20N4O/c1-2-16-6-9-22-20(12-16)21(25(30)27-22)13-18-5-8-19-23(28-29-24(19)14-18)10-7-17-4-3-11-26-15-17/h3-15H,2H2,1H3,(H,27,30)(H,28,29)/b10-7+,21-13+
PDB

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KEGG

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK3 (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
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50437850
PNG
(CHEMBL2407747)
Show SMILES CCc1ccc2NC(=O)\C(=C\c3ccc4c(\C=C\c5cccnc5)n[nH]c4c3)c2c1
Show InChI InChI=1S/C25H20N4O/c1-2-16-6-9-22-20(12-16)21(25(30)27-22)13-18-5-8-19-23(28-29-24(19)14-18)10-7-17-4-3-11-26-15-17/h3-15H,2H2,1H3,(H,27,30)(H,28,29)/b10-7+,21-13+
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60n/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))
BDBM50437850
PNG
(CHEMBL2407747)
Show SMILES CCc1ccc2NC(=O)\C(=C\c3ccc4c(\C=C\c5cccnc5)n[nH]c4c3)c2c1
Show InChI InChI=1S/C25H20N4O/c1-2-16-6-9-22-20(12-16)21(25(30)27-22)13-18-5-8-19-23(28-29-24(19)14-18)10-7-17-4-3-11-26-15-17/h3-15H,2H2,1H3,(H,27,30)(H,28,29)/b10-7+,21-13+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

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
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50437850
PNG
(CHEMBL2407747)
Show SMILES CCc1ccc2NC(=O)\C(=C\c3ccc4c(\C=C\c5cccnc5)n[nH]c4c3)c2c1
Show InChI InChI=1S/C25H20N4O/c1-2-16-6-9-22-20(12-16)21(25(30)27-22)13-18-5-8-19-23(28-29-24(19)14-18)10-7-17-4-3-11-26-15-17/h3-15H,2H2,1H3,(H,27,30)(H,28,29)/b10-7+,21-13+
PDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK2 (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