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PubMed code 7990108

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50038199
PNG
(5-(2,5-Dihydroxy-benzylamino)-2-hydroxy-benzoic ac...)
Show SMILES OC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O
Show InChI InChI=1S/C14H13NO5/c16-10-2-4-12(17)8(5-10)7-15-9-1-3-13(18)11(6-9)14(19)20/h1-6,15-18H,7H2,(H,19,20)
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n/an/a 2.90E+3n/an/an/an/an/an/a



SANDOZ Research Institute

Curated by ChEMBL


Assay Description
Inhibition of EGF-R Tyrosine kinase (TK)


J Med Chem 37: 4079-84 (1995)


BindingDB Entry DOI: 10.7270/Q25D8QWP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50038203
PNG
(5-[2-(2,5-Dihydroxy-phenyl)-ethyl]-2-hydroxy-benzo...)
Show SMILES OC(=O)c1cc(CCc2cc(O)ccc2O)ccc1O
Show InChI InChI=1S/C15H14O5/c16-11-4-6-13(17)10(8-11)3-1-9-2-5-14(18)12(7-9)15(19)20/h2,4-8,16-18H,1,3H2,(H,19,20)
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PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



SANDOZ Research Institute

Curated by ChEMBL


Assay Description
Inhibition of EGF-R Tyrosine kinase (TK)


J Med Chem 37: 4079-84 (1995)


BindingDB Entry DOI: 10.7270/Q25D8QWP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50038202
PNG
(5-((2,5-dihydroxybenzyl)(2-hydroxybenzyl)amino)-2-...)
Show SMILES OC(=O)c1cc(ccc1O)N(Cc1ccccc1O)Cc1cc(O)ccc1O
Show InChI InChI=1S/C21H19NO6/c23-16-6-8-19(25)14(9-16)12-22(11-13-3-1-2-4-18(13)24)15-5-7-20(26)17(10-15)21(27)28/h1-10,23-26H,11-12H2,(H,27,28)
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PubMed
n/an/a 4.10E+3n/an/an/an/an/an/a



SANDOZ Research Institute

Curated by ChEMBL


Assay Description
Inhibition of EGF-R Tyrosine kinase (TK)


J Med Chem 37: 4079-84 (1995)


BindingDB Entry DOI: 10.7270/Q25D8QWP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50038205
PNG
(5-(2,5-Dihydroxy-benzylamino)-2-hydroxy-benzoic ac...)
Show SMILES COC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O
Show InChI InChI=1S/C15H15NO5/c1-21-15(20)12-7-10(2-4-14(12)19)16-8-9-6-11(17)3-5-13(9)18/h2-7,16-19H,8H2,1H3
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n/an/a 2.44E+4n/an/an/an/an/an/a



SANDOZ Research Institute

Curated by ChEMBL


Assay Description
Inhibition of EGF-R Tyrosine kinase (TK)


J Med Chem 37: 4079-84 (1995)


BindingDB Entry DOI: 10.7270/Q25D8QWP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50038201
PNG
(5-(3,6-Dimethoxy-cyclohexa-1,5-dienylmethoxy)-2-hy...)
Show SMILES COC1CC=C(OC)C(COc2ccc(O)c(c2)C(=O)OC)=C1 |c:22,t:4|
Show InChI InChI=1S/C17H20O6/c1-20-12-5-7-16(21-2)11(8-12)10-23-13-4-6-15(18)14(9-13)17(19)22-3/h4,6-9,12,18H,5,10H2,1-3H3
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



SANDOZ Research Institute

Curated by ChEMBL


Assay Description
Inhibition of EGF-R Tyrosine kinase (TK)


J Med Chem 37: 4079-84 (1995)


BindingDB Entry DOI: 10.7270/Q25D8QWP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50038200
PNG
(5-[2-(2,5-Dimethoxy-phenyl)-ethyl]-2-hydroxy-benzo...)
Show SMILES COC(=O)c1cc(CCc2cc(OC)ccc2OC)ccc1O
Show InChI InChI=1S/C18H20O5/c1-21-14-7-9-17(22-2)13(11-14)6-4-12-5-8-16(19)15(10-12)18(20)23-3/h5,7-11,19H,4,6H2,1-3H3
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



SANDOZ Research Institute

Curated by ChEMBL


Assay Description
Inhibition of EGF-R Tyrosine kinase (TK)


J Med Chem 37: 4079-84 (1995)


BindingDB Entry DOI: 10.7270/Q25D8QWP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50038206
PNG
(5-(3,6-Dimethoxy-cyclohexa-1,5-dienylmethoxy)-2-hy...)
Show SMILES COC1CC=C(OC)C(COc2ccc(O)c(c2)C(O)=O)=C1 |c:21,t:4|
Show InChI InChI=1S/C16H18O6/c1-20-11-4-6-15(21-2)10(7-11)9-22-12-3-5-14(17)13(8-12)16(18)19/h3,5-8,11,17H,4,9H2,1-2H3,(H,18,19)
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



SANDOZ Research Institute

Curated by ChEMBL


Assay Description
Inhibition of EGF-R Tyrosine kinase (TK)


J Med Chem 37: 4079-84 (1995)


BindingDB Entry DOI: 10.7270/Q25D8QWP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50038197
PNG
(5-(2,5-Dimethoxy-benzylamino)-2-hydroxy-benzoic ac...)
Show SMILES COc1ccc(OC)c(CNc2ccc(O)c(c2)C(O)=O)c1
Show InChI InChI=1S/C16H17NO5/c1-21-12-4-6-15(22-2)10(7-12)9-17-11-3-5-14(18)13(8-11)16(19)20/h3-8,17-18H,9H2,1-2H3,(H,19,20)
PDB
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KEGG

UniProtKB/SwissProt

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

Patents


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



SANDOZ Research Institute

Curated by ChEMBL


Assay Description
Inhibition of EGF-R Tyrosine kinase (TK)


J Med Chem 37: 4079-84 (1995)


BindingDB Entry DOI: 10.7270/Q25D8QWP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%