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BDBM50065315 3-[1-(4-Dimethylamino-phenyl)-meth-(Z)-ylidene]-1-methyl-1,3-dihydro-indol-2-one::CHEMBL86921

SMILES: CN(C)c1ccc(\C=C2/C(=O)N(C)c3ccccc23)cc1

InChI Key: InChIKey=TUNFCKFZFPSXAU-VBKFSLOCSA-N

Data: 3 KI  5 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 = 50065315   
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
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50065315
PNG
(3-[1-(4-Dimethylamino-phenyl)-meth-(Z)-ylidene]-1-...)
Show SMILES CN(C)c1ccc(\C=C2/C(=O)N(C)c3ccccc23)cc1
Show InChI InChI=1S/C18H18N2O/c1-19(2)14-10-8-13(9-11-14)12-16-15-6-4-5-7-17(15)20(3)18(16)21/h4-12H,1-3H3/b16-12-
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PubMed
155n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50065315
PNG
(3-[1-(4-Dimethylamino-phenyl)-meth-(Z)-ylidene]-1-...)
Show SMILES CN(C)c1ccc(\C=C2/C(=O)N(C)c3ccccc23)cc1
Show InChI InChI=1S/C18H18N2O/c1-19(2)14-10-8-13(9-11-14)12-16-15-6-4-5-7-17(15)20(3)18(16)21/h4-12H,1-3H3/b16-12-
PDB

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PubMed
508n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50065315
PNG
(3-[1-(4-Dimethylamino-phenyl)-meth-(Z)-ylidene]-1-...)
Show SMILES CN(C)c1ccc(\C=C2/C(=O)N(C)c3ccccc23)cc1
Show InChI InChI=1S/C18H18N2O/c1-19(2)14-10-8-13(9-11-14)12-16-15-6-4-5-7-17(15)20(3)18(16)21/h4-12H,1-3H3/b16-12-
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618n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL after 1.5 hrs by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50065315
PNG
(3-[1-(4-Dimethylamino-phenyl)-meth-(Z)-ylidene]-1-...)
Show SMILES CN(C)c1ccc(\C=C2/C(=O)N(C)c3ccccc23)cc1
Show InChI InChI=1S/C18H18N2O/c1-19(2)14-10-8-13(9-11-14)12-16-15-6-4-5-7-17(15)20(3)18(16)21/h4-12H,1-3H3/b16-12-
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Article
PubMed
n/an/a>1.00E+5n/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)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Mus musculus)
BDBM50065315
PNG
(3-[1-(4-Dimethylamino-phenyl)-meth-(Z)-ylidene]-1-...)
Show SMILES CN(C)c1ccc(\C=C2/C(=O)N(C)c3ccccc23)cc1
Show InChI InChI=1S/C18H18N2O/c1-19(2)14-10-8-13(9-11-14)12-16-15-6-4-5-7-17(15)20(3)18(16)21/h4-12H,1-3H3/b16-12-
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Article
PubMed
n/an/a 2.26E+4n/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)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (human))
BDBM50065315
PNG
(3-[1-(4-Dimethylamino-phenyl)-meth-(Z)-ylidene]-1-...)
Show SMILES CN(C)c1ccc(\C=C2/C(=O)N(C)c3ccccc23)cc1
Show InChI InChI=1S/C18H18N2O/c1-19(2)14-10-8-13(9-11-14)12-16-15-6-4-5-7-17(15)20(3)18(16)21/h4-12H,1-3H3/b16-12-
PDB
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Article
PubMed
n/an/a>1.00E+5n/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)

More data for this
Ligand-Target Pair
VEGF-receptor 2 and PDGF-receptor beta (KDR and PDGFR beta)


(Homo sapiens (human))
BDBM50065315
PNG
(3-[1-(4-Dimethylamino-phenyl)-meth-(Z)-ylidene]-1-...)
Show SMILES CN(C)c1ccc(\C=C2/C(=O)N(C)c3ccccc23)cc1
Show InChI InChI=1S/C18H18N2O/c1-19(2)14-10-8-13(9-11-14)12-16-15-6-4-5-7-17(15)20(3)18(16)21/h4-12H,1-3H3/b16-12-
PDB
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PubMed
n/an/a>1.00E+5n/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)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50065315
PNG
(3-[1-(4-Dimethylamino-phenyl)-meth-(Z)-ylidene]-1-...)
Show SMILES CN(C)c1ccc(\C=C2/C(=O)N(C)c3ccccc23)cc1
Show InChI InChI=1S/C18H18N2O/c1-19(2)14-10-8-13(9-11-14)12-16-15-6-4-5-7-17(15)20(3)18(16)21/h4-12H,1-3H3/b16-12-
PDB
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KEGG

UniProtKB/SwissProt

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PC sid
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Article
PubMed
n/an/a>1.00E+5n/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)

More data for this
Ligand-Target Pair