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BDBM50065271 3-(4-hydroxy-3,5-diisopropylbenzylidene)indolin-2-one::3-[1-(4-Hydroxy-3,5-diisopropyl-phenyl)-meth-(Z)-ylidene]-1,3-dihydro-indol-2-one::CHEMBL85021::ST-280

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

InChI Key: InChIKey=UGWOQEABVJFWIV-WQRHYEAKSA-N

Data: 7 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 7 hits for monomerid = 50065271   
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
VEGF-receptor 2 and PDGF-receptor beta (KDR and PDGFR beta)


(Homo sapiens (human))
BDBM50065271
PNG
(3-(4-hydroxy-3,5-diisopropylbenzylidene)indolin-2-...)
Show SMILES CC(C)c1cc(\C=C2/C(=O)Nc3ccccc23)cc(C(C)C)c1O
Show InChI InChI=1S/C21H23NO2/c1-12(2)16-9-14(10-17(13(3)4)20(16)23)11-18-15-7-5-6-8-19(15)22-21(18)24/h5-13,23H,1-4H3,(H,22,24)/b18-11-
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PubMed
n/an/a 1.75E+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)

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


(Homo sapiens (Human))
BDBM50065271
PNG
(3-(4-hydroxy-3,5-diisopropylbenzylidene)indolin-2-...)
Show SMILES CC(C)c1cc(\C=C2/C(=O)Nc3ccccc23)cc(C(C)C)c1O
Show InChI InChI=1S/C21H23NO2/c1-12(2)16-9-14(10-17(13(3)4)20(16)23)11-18-15-7-5-6-8-19(15)22-21(18)24/h5-13,23H,1-4H3,(H,22,24)/b18-11-
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n/an/a 1.01E+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)

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


(Mus musculus)
BDBM50065271
PNG
(3-(4-hydroxy-3,5-diisopropylbenzylidene)indolin-2-...)
Show SMILES CC(C)c1cc(\C=C2/C(=O)Nc3ccccc23)cc(C(C)C)c1O
Show InChI InChI=1S/C21H23NO2/c1-12(2)16-9-14(10-17(13(3)4)20(16)23)11-18-15-7-5-6-8-19(15)22-21(18)24/h5-13,23H,1-4H3,(H,22,24)/b18-11-
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n/an/a 8.50E+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)

More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens)
BDBM50065271
PNG
(3-(4-hydroxy-3,5-diisopropylbenzylidene)indolin-2-...)
Show SMILES CC(C)c1cc(\C=C2/C(=O)Nc3ccccc23)cc(C(C)C)c1O
Show InChI InChI=1S/C21H23NO2/c1-12(2)16-9-14(10-17(13(3)4)20(16)23)11-18-15-7-5-6-8-19(15)22-21(18)24/h5-13,23H,1-4H3,(H,22,24)/b18-11-
KEGG

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n/an/a 630n/an/an/an/an/an/a



Vichem Chemie Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of NOX4 expressed in HEK293 FS cells assessed as H2O2 production by H2O2/Tyr/LPO assay


J Med Chem 53: 6758-62 (2010)

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


(Homo sapiens (human))
BDBM50065271
PNG
(3-(4-hydroxy-3,5-diisopropylbenzylidene)indolin-2-...)
Show SMILES CC(C)c1cc(\C=C2/C(=O)Nc3ccccc23)cc(C(C)C)c1O
Show InChI InChI=1S/C21H23NO2/c1-12(2)16-9-14(10-17(13(3)4)20(16)23)11-18-15-7-5-6-8-19(15)22-21(18)24/h5-13,23H,1-4H3,(H,22,24)/b18-11-
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n/an/a 7.00E+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 Her-2 receptor tyrosine kinase (HER-2 RTK)


J Med Chem 41: 2588-603 (1998)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50065271
PNG
(3-(4-hydroxy-3,5-diisopropylbenzylidene)indolin-2-...)
Show SMILES CC(C)c1cc(\C=C2/C(=O)Nc3ccccc23)cc(C(C)C)c1O
Show InChI InChI=1S/C21H23NO2/c1-12(2)16-9-14(10-17(13(3)4)20(16)23)11-18-15-7-5-6-8-19(15)22-21(18)24/h5-13,23H,1-4H3,(H,22,24)/b18-11-
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50065271
PNG
(3-(4-hydroxy-3,5-diisopropylbenzylidene)indolin-2-...)
Show SMILES CC(C)c1cc(\C=C2/C(=O)Nc3ccccc23)cc(C(C)C)c1O
Show InChI InChI=1S/C21H23NO2/c1-12(2)16-9-14(10-17(13(3)4)20(16)23)11-18-15-7-5-6-8-19(15)22-21(18)24/h5-13,23H,1-4H3,(H,22,24)/b18-11-
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n/an/a 1.53E+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)

More data for this
Ligand-Target Pair