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BDBM4312 (2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(2,4-dimethoxyphenyl)prop-2-enamide::Tyrphostin deriv. 64

SMILES: COc1ccc(NC(=O)C(=C\c2ccc(O)c(O)c2)\C#N)c(OC)c1

InChI Key: InChIKey=CSHGVUBBAZPQSJ-KPKJPENVSA-N

Data: 3 IC50

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 4312   
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))
BDBM4312
PNG
((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(2,4-dimeth...)
Show SMILES COc1ccc(NC(=O)C(=C\c2ccc(O)c(O)c2)\C#N)c(OC)c1
Show InChI InChI=1S/C18H16N2O5/c1-24-13-4-5-14(17(9-13)25-2)20-18(23)12(10-19)7-11-3-6-15(21)16(22)8-11/h3-9,21-22H,1-2H3,(H,20,23)/b12-7+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM4312
PNG
((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(2,4-dimeth...)
Show SMILES COc1ccc(NC(=O)C(=C\c2ccc(O)c(O)c2)\C#N)c(OC)c1
Show InChI InChI=1S/C18H16N2O5/c1-24-13-4-5-14(17(9-13)25-2)20-18(23)12(10-19)7-11-3-6-15(21)16(22)8-11/h3-9,21-22H,1-2H3,(H,20,23)/b12-7+
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.66E+5n/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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4312
PNG
((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(2,4-dimeth...)
Show SMILES COc1ccc(NC(=O)C(=C\c2ccc(O)c(O)c2)\C#N)c(OC)c1
Show InChI InChI=1S/C18H16N2O5/c1-24-13-4-5-14(17(9-13)25-2)20-18(23)12(10-19)7-11-3-6-15(21)16(22)8-11/h3-9,21-22H,1-2H3,(H,20,23)/b12-7+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.51E+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