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BDBM50040914 5-(4-Methoxy-phenylamino)-6-phenylamino-isoindole-1,3-dione::CHEMBL8095

SMILES: COc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccccc2)cc1

InChI Key: InChIKey=LESFPZSUPOHBIP-UHFFFAOYSA-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 = 50040914   
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50040914
PNG
(5-(4-Methoxy-phenylamino)-6-phenylamino-isoindole-...)
Show SMILES COc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccccc2)cc1
Show InChI InChI=1S/C21H17N3O3/c1-27-15-9-7-14(8-10-15)23-19-12-17-16(20(25)24-21(17)26)11-18(19)22-13-5-3-2-4-6-13/h2-12,22-23H,1H3,(H,24,25,26)
PDB
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KEGG

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PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibition of EGF-dependent autophosphorylation of EGF-R in human A431 cells


J Med Chem 37: 1015-27 (1994)


BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50040914
PNG
(5-(4-Methoxy-phenylamino)-6-phenylamino-isoindole-...)
Show SMILES COc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccccc2)cc1
Show InChI InChI=1S/C21H17N3O3/c1-27-15-9-7-14(8-10-15)23-19-12-17-16(20(25)24-21(17)26)11-18(19)22-13-5-3-2-4-6-13/h2-12,22-23H,1H3,(H,24,25,26)
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KEGG

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PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibition of EGF-dependent autophosphorylation of EGF-R in human A431 cells


J Med Chem 37: 1015-27 (1994)


BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50040914
PNG
(5-(4-Methoxy-phenylamino)-6-phenylamino-isoindole-...)
Show SMILES COc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccccc2)cc1
Show InChI InChI=1S/C21H17N3O3/c1-27-15-9-7-14(8-10-15)23-19-12-17-16(20(25)24-21(17)26)11-18(19)22-13-5-3-2-4-6-13/h2-12,22-23H,1H3,(H,24,25,26)
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PubMed
n/an/a 6.40E+4n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against c-src tyrosine kinase


J Med Chem 37: 1015-27 (1994)


BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
PDGFR-beta/Platelet-derived growth factor receptor alpha


(Mus musculus (mouse))
BDBM50040914
PNG
(5-(4-Methoxy-phenylamino)-6-phenylamino-isoindole-...)
Show SMILES COc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccccc2)cc1
Show InChI InChI=1S/C21H17N3O3/c1-27-15-9-7-14(8-10-15)23-19-12-17-16(20(25)24-21(17)26)11-18(19)22-13-5-3-2-4-6-13/h2-12,22-23H,1H3,(H,24,25,26)
MMDB

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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibition of PDGF-dependent autophosphorylation of PDGF-R in mouse BALB/c3T3 cells


J Med Chem 37: 1015-27 (1994)


BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50040914
PNG
(5-(4-Methoxy-phenylamino)-6-phenylamino-isoindole-...)
Show SMILES COc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccccc2)cc1
Show InChI InChI=1S/C21H17N3O3/c1-27-15-9-7-14(8-10-15)23-19-12-17-16(20(25)24-21(17)26)11-18(19)22-13-5-3-2-4-6-13/h2-12,22-23H,1H3,(H,24,25,26)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against v-abl tyrosine kinase


J Med Chem 37: 1015-27 (1994)


BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Cyclic AMP-dependent protein kinase (PKA)


(Oryctolagus cuniculus (Rabbit))
BDBM50040914
PNG
(5-(4-Methoxy-phenylamino)-6-phenylamino-isoindole-...)
Show SMILES COc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccccc2)cc1
Show InChI InChI=1S/C21H17N3O3/c1-27-15-9-7-14(8-10-15)23-19-12-17-16(20(25)24-21(17)26)11-18(19)22-13-5-3-2-4-6-13/h2-12,22-23H,1H3,(H,24,25,26)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


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PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against protein kinase A (PKA) of rabbit


J Med Chem 37: 1015-27 (1994)


BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair