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BDBM50065275 3-(3,5-di-tert-butyl-4-hydroxybenzylidene)indolin-2-one::3-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)-ylidene]-1,3-dihydro-indol-2-one::CHEMBL89505

SMILES: CC(C)(C)c1cc(\C=C2/C(=O)Nc3ccccc23)cc(c1O)C(C)(C)C

InChI Key: InChIKey=NUMNJHZZSGKINB-WJDWOHSUSA-N

Data: 6 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 6 hits for monomerid = 50065275   
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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50065275
PNG
(3-(3,5-di-tert-butyl-4-hydroxybenzylidene)indolin-...)
Show SMILES CC(C)(C)c1cc(\C=C2/C(=O)Nc3ccccc23)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C23H27NO2/c1-22(2,3)17-12-14(13-18(20(17)25)23(4,5)6)11-16-15-9-7-8-10-19(15)24-21(16)26/h7-13,25H,1-6H3,(H,24,26)/b16-11-
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PC sid
UniChem
Article
PubMed
n/an/a 6.48E+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
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50065275
PNG
(3-(3,5-di-tert-butyl-4-hydroxybenzylidene)indolin-...)
Show SMILES CC(C)(C)c1cc(\C=C2/C(=O)Nc3ccccc23)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C23H27NO2/c1-22(2,3)17-12-14(13-18(20(17)25)23(4,5)6)11-16-15-9-7-8-10-19(15)24-21(16)26/h7-13,25H,1-6H3,(H,24,26)/b16-11-
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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)


Article DOI: 10.1021/jm980123i
BindingDB Entry DOI: 10.7270/Q2G73CTT
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50065275
PNG
(3-(3,5-di-tert-butyl-4-hydroxybenzylidene)indolin-...)
Show SMILES CC(C)(C)c1cc(\C=C2/C(=O)Nc3ccccc23)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C23H27NO2/c1-22(2,3)17-12-14(13-18(20(17)25)23(4,5)6)11-16-15-9-7-8-10-19(15)24-21(16)26/h7-13,25H,1-6H3,(H,24,26)/b16-11-
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n/an/a 6.50E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HER2 (unknown origin)


J Med Chem 51: 3367-77 (2008)


Article DOI: 10.1021/jm7013875
BindingDB Entry DOI: 10.7270/Q2086532
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50065275
PNG
(3-(3,5-di-tert-butyl-4-hydroxybenzylidene)indolin-...)
Show SMILES CC(C)(C)c1cc(\C=C2/C(=O)Nc3ccccc23)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C23H27NO2/c1-22(2,3)17-12-14(13-18(20(17)25)23(4,5)6)11-16-15-9-7-8-10-19(15)24-21(16)26/h7-13,25H,1-6H3,(H,24,26)/b16-11-
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n/an/a 4.95E+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)
BDBM50065275
PNG
(3-(3,5-di-tert-butyl-4-hydroxybenzylidene)indolin-...)
Show SMILES CC(C)(C)c1cc(\C=C2/C(=O)Nc3ccccc23)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C23H27NO2/c1-22(2,3)17-12-14(13-18(20(17)25)23(4,5)6)11-16-15-9-7-8-10-19(15)24-21(16)26/h7-13,25H,1-6H3,(H,24,26)/b16-11-
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n/an/a 8.40E+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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50065275
PNG
(3-(3,5-di-tert-butyl-4-hydroxybenzylidene)indolin-...)
Show SMILES CC(C)(C)c1cc(\C=C2/C(=O)Nc3ccccc23)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C23H27NO2/c1-22(2,3)17-12-14(13-18(20(17)25)23(4,5)6)11-16-15-9-7-8-10-19(15)24-21(16)26/h7-13,25H,1-6H3,(H,24,26)/b16-11-
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n/an/a 7.90E+3n/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