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BDBM4314 (2E)-2-(2,3-dihydro-1H-indol-1-ylcarbonyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile::Tyrphostin deriv. 66::cid_1838043

SMILES: Oc1ccc(\C=C(/C#N)C(=O)N2CCc3ccccc23)cc1O

InChI Key: InChIKey=MYKCTDWWIWGLHW-NTEUORMPSA-N

Data: 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 5 hits for monomerid = 4314   
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))
BDBM4314
PNG
((2E)-2-(2,3-dihydro-1H-indol-1-ylcarbonyl)-3-(3,4-...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)N2CCc3ccccc23)cc1O
Show InChI InChI=1S/C18H14N2O3/c19-11-14(9-12-5-6-16(21)17(22)10-12)18(23)20-8-7-13-3-1-2-4-15(13)20/h1-6,9-10,21-22H,7-8H2/b14-9+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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UniChem

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Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem



Assay Description
The activity of EGFR, preactivated with EGF, is measured by its ability to transfer terminal phosphate from [gamma-32P]ATP to poly(GAT) substrate.


J Med Chem 34: 1896-907 (1991)


Article DOI: 10.1021/jm00110a022
BindingDB Entry DOI: 10.7270/Q2KW5D7V
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM4314
PNG
((2E)-2-(2,3-dihydro-1H-indol-1-ylcarbonyl)-3-(3,4-...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)N2CCc3ccccc23)cc1O
Show InChI InChI=1S/C18H14N2O3/c19-11-14(9-12-5-6-16(21)17(22)10-12)18(23)20-8-7-13-3-1-2-4-15(13)20/h1-6,9-10,21-22H,7-8H2/b14-9+
PDB

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n/an/a 4.59E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM4314
PNG
((2E)-2-(2,3-dihydro-1H-indol-1-ylcarbonyl)-3-(3,4-...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)N2CCc3ccccc23)cc1O
Show InChI InChI=1S/C18H14N2O3/c19-11-14(9-12-5-6-16(21)17(22)10-12)18(23)20-8-7-13-3-1-2-4-15(13)20/h1-6,9-10,21-22H,7-8H2/b14-9+
PDB
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KEGG

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Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibitory activity against epidermal growth factor receptor (EGFR)


J Med Chem 46: 4657-68 (2003)


Article DOI: 10.1021/jm030065n
BindingDB Entry DOI: 10.7270/Q2N58NKR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM4314
PNG
((2E)-2-(2,3-dihydro-1H-indol-1-ylcarbonyl)-3-(3,4-...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)N2CCc3ccccc23)cc1O
Show InChI InChI=1S/C18H14N2O3/c19-11-14(9-12-5-6-16(21)17(22)10-12)18(23)20-8-7-13-3-1-2-4-15(13)20/h1-6,9-10,21-22H,7-8H2/b14-9+
PDB
MMDB

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PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibitory activity tested against protein kinase HER-2


J Med Chem 46: 4657-68 (2003)


Article DOI: 10.1021/jm030065n
BindingDB Entry DOI: 10.7270/Q2N58NKR
More data for this
Ligand-Target Pair
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM4314
PNG
((2E)-2-(2,3-dihydro-1H-indol-1-ylcarbonyl)-3-(3,4-...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)N2CCc3ccccc23)cc1O
Show InChI InChI=1S/C18H14N2O3/c19-11-14(9-12-5-6-16(21)17(22)10-12)18(23)20-8-7-13-3-1-2-4-15(13)20/h1-6,9-10,21-22H,7-8H2/b14-9+
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

n/an/a 798n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2PC30Z9
More data for this
Ligand-Target Pair