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BDBM50065297 3-(4-Isopropyl-benzylidene)-1,3-dihydro-indol-2-one::3-[1-(4-Isopropyl-phenyl)-meth-(E)-ylidene]-1,3-dihydro-indol-2-one::CHEMBL48760

SMILES: CC(C)c1ccc(\C=C2\C(=O)Nc3ccccc23)cc1

InChI Key: InChIKey=IRQQWCZKCUQNSO-LFIBNONCSA-N

Data: 14 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 14 hits for monomerid = 50065297   
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 2


(Mus musculus)
BDBM50065297
PNG
(3-(4-Isopropyl-benzylidene)-1,3-dihydro-indol-2-on...)
Show SMILES CC(C)c1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C18H17NO/c1-12(2)14-9-7-13(8-10-14)11-16-15-5-3-4-6-17(15)19-18(16)20/h3-12H,1-2H3,(H,19,20)/b16-11+
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PubMed
n/an/a 5.25E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against vascular endothelial growth factor receptor 2 (FLK1)


J Med Chem 43: 3020-32 (2000)


Article DOI: 10.1021/jm990609e
BindingDB Entry DOI: 10.7270/Q2HM59P2
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50065297
PNG
(3-(4-Isopropyl-benzylidene)-1,3-dihydro-indol-2-on...)
Show SMILES CC(C)c1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C18H17NO/c1-12(2)14-9-7-13(8-10-14)11-16-15-5-3-4-6-17(15)19-18(16)20/h3-12H,1-2H3,(H,19,20)/b16-11+
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n/an/a 1.00E+4n/an/an/an/an/an/a



SUGEN, Inc.

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% inhibition of tyrosine phosphorylation on human Insulin-like growth factor I receptor


J Med Chem 41: 2588-603 (1998)


Article DOI: 10.1021/jm980123i
BindingDB Entry DOI: 10.7270/Q2G73CTT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Mus musculus)
BDBM50065297
PNG
(3-(4-Isopropyl-benzylidene)-1,3-dihydro-indol-2-on...)
Show SMILES CC(C)c1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C18H17NO/c1-12(2)14-9-7-13(8-10-14)11-16-15-5-3-4-6-17(15)19-18(16)20/h3-12H,1-2H3,(H,19,20)/b16-11+
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n/an/a 5.20E+3n/an/an/an/an/an/a



SUGEN, Inc.

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% inhibition of tyrosine phosphorylation on murine VEGF receptor (FLK-1 RTK).


J Med Chem 41: 2588-603 (1998)


Article DOI: 10.1021/jm980123i
BindingDB Entry DOI: 10.7270/Q2G73CTT
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM50065297
PNG
(3-(4-Isopropyl-benzylidene)-1,3-dihydro-indol-2-on...)
Show SMILES CC(C)c1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C18H17NO/c1-12(2)14-9-7-13(8-10-14)11-16-15-5-3-4-6-17(15)19-18(16)20/h3-12H,1-2H3,(H,19,20)/b16-11+
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n/an/a 2.42E+4n/an/an/an/an/an/a



SUGEN, Inc.

Curated by ChEMBL


Assay Description
Test concentration required to achieve 50% inhibition of tyrosine phosphorylation on human Platelet-derived growth factor receptor beta (PDGF RTK).


J Med Chem 41: 2588-603 (1998)


Article DOI: 10.1021/jm980123i
BindingDB Entry DOI: 10.7270/Q2G73CTT
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50065297
PNG
(3-(4-Isopropyl-benzylidene)-1,3-dihydro-indol-2-on...)
Show SMILES CC(C)c1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C18H17NO/c1-12(2)14-9-7-13(8-10-14)11-16-15-5-3-4-6-17(15)19-18(16)20/h3-12H,1-2H3,(H,19,20)/b16-11+
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n/an/a 1.85E+4n/an/an/an/an/an/a



SUGEN, Inc.

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% inhibition of tyrosine phosphorylation on human Epidermal growth factor receptor (EGF RTK).


J Med Chem 41: 2588-603 (1998)


Article DOI: 10.1021/jm980123i
BindingDB Entry DOI: 10.7270/Q2G73CTT
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50065297
PNG
(3-(4-Isopropyl-benzylidene)-1,3-dihydro-indol-2-on...)
Show SMILES CC(C)c1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C18H17NO/c1-12(2)14-9-7-13(8-10-14)11-16-15-5-3-4-6-17(15)19-18(16)20/h3-12H,1-2H3,(H,19,20)/b16-11+
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n/an/a 1.69E+4n/an/an/an/an/an/a



SUGEN, Inc.

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% inhibition of tyrosine phosphorylation on human Her-2 receptor tyrosine kinase (HER-2 RTK)


J Med Chem 41: 2588-603 (1998)


Article DOI: 10.1021/jm980123i
BindingDB Entry DOI: 10.7270/Q2G73CTT
More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM50065297
PNG
(3-(4-Isopropyl-benzylidene)-1,3-dihydro-indol-2-on...)
Show SMILES CC(C)c1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C18H17NO/c1-12(2)14-9-7-13(8-10-14)11-16-15-5-3-4-6-17(15)19-18(16)20/h3-12H,1-2H3,(H,19,20)/b16-11+
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n/an/a 6.00E+3n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against Amp C beta-Lactamase


J Med Chem 46: 4265-72 (2003)


Article DOI: 10.1021/jm030266r
BindingDB Entry DOI: 10.7270/Q29C6Z59
More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM50065297
PNG
(3-(4-Isopropyl-benzylidene)-1,3-dihydro-indol-2-on...)
Show SMILES CC(C)c1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C18H17NO/c1-12(2)14-9-7-13(8-10-14)11-16-15-5-3-4-6-17(15)19-18(16)20/h3-12H,1-2H3,(H,19,20)/b16-11+
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n/an/a 7.00E+3n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase in the presence of 500 mMKPi concentration of buffer


J Med Chem 45: 1712-22 (2002)


Article DOI: 10.1021/jm010533y
BindingDB Entry DOI: 10.7270/Q20C4WHD
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50065297
PNG
(3-(4-Isopropyl-benzylidene)-1,3-dihydro-indol-2-on...)
Show SMILES CC(C)c1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C18H17NO/c1-12(2)14-9-7-13(8-10-14)11-16-15-5-3-4-6-17(15)19-18(16)20/h3-12H,1-2H3,(H,19,20)/b16-11+
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n/an/a 3.00E+4n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against cloned Dihydrofolate reductase (cDHFR)


J Med Chem 45: 1712-22 (2002)


Article DOI: 10.1021/jm010533y
BindingDB Entry DOI: 10.7270/Q20C4WHD
More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM50065297
PNG
(3-(4-Isopropyl-benzylidene)-1,3-dihydro-indol-2-on...)
Show SMILES CC(C)c1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C18H17NO/c1-12(2)14-9-7-13(8-10-14)11-16-15-5-3-4-6-17(15)19-18(16)20/h3-12H,1-2H3,(H,19,20)/b16-11+
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n/an/a 3.00E+3n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase in the presence of 5 mM KPi concentration of buffer


J Med Chem 45: 1712-22 (2002)


Article DOI: 10.1021/jm010533y
BindingDB Entry DOI: 10.7270/Q20C4WHD
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens)
BDBM50065297
PNG
(3-(4-Isopropyl-benzylidene)-1,3-dihydro-indol-2-on...)
Show SMILES CC(C)c1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C18H17NO/c1-12(2)14-9-7-13(8-10-14)11-16-15-5-3-4-6-17(15)19-18(16)20/h3-12H,1-2H3,(H,19,20)/b16-11+
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n/an/a 5.50E+4n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of Beta-galactosidase


J Med Chem 45: 1712-22 (2002)


Article DOI: 10.1021/jm010533y
BindingDB Entry DOI: 10.7270/Q20C4WHD
More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM50065297
PNG
(3-(4-Isopropyl-benzylidene)-1,3-dihydro-indol-2-on...)
Show SMILES CC(C)c1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C18H17NO/c1-12(2)14-9-7-13(8-10-14)11-16-15-5-3-4-6-17(15)19-18(16)20/h3-12H,1-2H3,(H,19,20)/b16-11+
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n/an/a 6.00E+3n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase


J Med Chem 45: 1712-22 (2002)


Article DOI: 10.1021/jm010533y
BindingDB Entry DOI: 10.7270/Q20C4WHD
More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM50065297
PNG
(3-(4-Isopropyl-benzylidene)-1,3-dihydro-indol-2-on...)
Show SMILES CC(C)c1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C18H17NO/c1-12(2)14-9-7-13(8-10-14)11-16-15-5-3-4-6-17(15)19-18(16)20/h3-12H,1-2H3,(H,19,20)/b16-11+
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n/an/a 6.00E+3n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase in the presence of 50 mM KPi concentration of buffer


J Med Chem 45: 1712-22 (2002)


Article DOI: 10.1021/jm010533y
BindingDB Entry DOI: 10.7270/Q20C4WHD
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM50065297
PNG
(3-(4-Isopropyl-benzylidene)-1,3-dihydro-indol-2-on...)
Show SMILES CC(C)c1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C18H17NO/c1-12(2)14-9-7-13(8-10-14)11-16-15-5-3-4-6-17(15)19-18(16)20/h3-12H,1-2H3,(H,19,20)/b16-11+
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n/an/a 3.00E+4n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against chymotrypsinogen


J Med Chem 45: 1712-22 (2002)


Article DOI: 10.1021/jm010533y
BindingDB Entry DOI: 10.7270/Q20C4WHD
More data for this
Ligand-Target Pair