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BDBM50244031 3-(1H-Indol-3-yl)-4-(4-methoxyphenyl)-1,5-dihydro-2H-pyrrole-2-one::CHEMBL452812

SMILES: COc1ccc(cc1)C1=C(C(=O)NC1)c1c[nH]c2ccccc12

InChI Key: InChIKey=XIOUIJRUBUIKSA-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50244031   
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
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50244031
PNG
(3-(1H-Indol-3-yl)-4-(4-methoxyphenyl)-1,5-dihydro-...)
Show SMILES COc1ccc(cc1)C1=C(C(=O)NC1)c1c[nH]c2ccccc12 |t:9|
Show InChI InChI=1S/C19H16N2O2/c1-23-13-8-6-12(7-9-13)15-10-21-19(22)18(15)16-11-20-17-5-3-2-4-14(16)17/h2-9,11,20H,10H2,1H3,(H,21,22)
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PubMed
n/an/a 8.70E+3n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR3


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50244031
PNG
(3-(1H-Indol-3-yl)-4-(4-methoxyphenyl)-1,5-dihydro-...)
Show SMILES COc1ccc(cc1)C1=C(C(=O)NC1)c1c[nH]c2ccccc12 |t:9|
Show InChI InChI=1S/C19H16N2O2/c1-23-13-8-6-12(7-9-13)15-10-21-19(22)18(15)16-11-20-17-5-3-2-4-14(16)17/h2-9,11,20H,10H2,1H3,(H,21,22)
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n/an/a 4.90E+3n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora B


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))
BDBM50244031
PNG
(3-(1H-Indol-3-yl)-4-(4-methoxyphenyl)-1,5-dihydro-...)
Show SMILES COc1ccc(cc1)C1=C(C(=O)NC1)c1c[nH]c2ccccc12 |t:9|
Show InChI InChI=1S/C19H16N2O2/c1-23-13-8-6-12(7-9-13)15-10-21-19(22)18(15)16-11-20-17-5-3-2-4-14(16)17/h2-9,11,20H,10H2,1H3,(H,21,22)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ARK5


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50244031
PNG
(3-(1H-Indol-3-yl)-4-(4-methoxyphenyl)-1,5-dihydro-...)
Show SMILES COc1ccc(cc1)C1=C(C(=O)NC1)c1c[nH]c2ccccc12 |t:9|
Show InChI InChI=1S/C19H16N2O2/c1-23-13-8-6-12(7-9-13)15-10-21-19(22)18(15)16-11-20-17-5-3-2-4-14(16)17/h2-9,11,20H,10H2,1H3,(H,21,22)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SAK


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50244031
PNG
(3-(1H-Indol-3-yl)-4-(4-methoxyphenyl)-1,5-dihydro-...)
Show SMILES COc1ccc(cc1)C1=C(C(=O)NC1)c1c[nH]c2ccccc12 |t:9|
Show InChI InChI=1S/C19H16N2O2/c1-23-13-8-6-12(7-9-13)15-10-21-19(22)18(15)16-11-20-17-5-3-2-4-14(16)17/h2-9,11,20H,10H2,1H3,(H,21,22)
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n/an/a 3.50E+4n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK4/cyclin D1


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50244031
PNG
(3-(1H-Indol-3-yl)-4-(4-methoxyphenyl)-1,5-dihydro-...)
Show SMILES COc1ccc(cc1)C1=C(C(=O)NC1)c1c[nH]c2ccccc12 |t:9|
Show InChI InChI=1S/C19H16N2O2/c1-23-13-8-6-12(7-9-13)15-10-21-19(22)18(15)16-11-20-17-5-3-2-4-14(16)17/h2-9,11,20H,10H2,1H3,(H,21,22)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR2


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50244031
PNG
(3-(1H-Indol-3-yl)-4-(4-methoxyphenyl)-1,5-dihydro-...)
Show SMILES COc1ccc(cc1)C1=C(C(=O)NC1)c1c[nH]c2ccccc12 |t:9|
Show InChI InChI=1S/C19H16N2O2/c1-23-13-8-6-12(7-9-13)15-10-21-19(22)18(15)16-11-20-17-5-3-2-4-14(16)17/h2-9,11,20H,10H2,1H3,(H,21,22)
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n/an/a 9.90E+3n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLT3


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50244031
PNG
(3-(1H-Indol-3-yl)-4-(4-methoxyphenyl)-1,5-dihydro-...)
Show SMILES COc1ccc(cc1)C1=C(C(=O)NC1)c1c[nH]c2ccccc12 |t:9|
Show InChI InChI=1S/C19H16N2O2/c1-23-13-8-6-12(7-9-13)15-10-21-19(22)18(15)16-11-20-17-5-3-2-4-14(16)17/h2-9,11,20H,10H2,1H3,(H,21,22)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair