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Compile Data Set for Download or QSAR

Found 191 hits with Last Name = 'osherov' and Initial = 'n'   
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
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50040294
PNG
(5-[2-(2,5-Dihydroxy-phenyl)-vinyl]-2-hydroxy-benzo...)
Show SMILES OC(=O)c1cc(\C=C\c2cc(O)ccc2O)ccc1O
Show InChI InChI=1S/C15H12O5/c16-11-4-6-13(17)10(8-11)3-1-9-2-5-14(18)12(7-9)15(19)20/h1-8,16-18H,(H,19,20)/b3-1+
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n/an/a 60n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of p56lck autophosphorylation


J Med Chem 36: 3010-4 (1993)


BindingDB Entry DOI: 10.7270/Q2XK8DNC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50036694
PNG
((E)-2-Cyano-3-(4-hydroxy-3-methoxy-5-phenylsulfany...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccccc2)c1O
Show InChI InChI=1S/C18H16N2O3S/c1-23-16-9-12(7-13(10-19)18(20)22)8-14(17(16)21)11-24-15-5-3-2-4-6-15/h2-9,21H,11H2,1H3,(H2,20,22)/b13-7+
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n/an/a 130n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitiory concentration against EGF receptor by polyGAT phosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50036687
PNG
((E)-3-(3-Benzylsulfanylmethyl-4-hydroxy-5-methoxy-...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSCc2ccccc2)c1O
Show InChI InChI=1S/C19H18N2O3S/c1-24-17-9-14(7-15(10-20)19(21)23)8-16(18(17)22)12-25-11-13-5-3-2-4-6-13/h2-9,22H,11-12H2,1H3,(H2,21,23)/b15-7+
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n/an/a 200n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitory concentration against ErbB2/neu (HER-2) by autophosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50036698
PNG
((E)-3-[3-(2-Chloro-benzylsulfanylmethyl)-4-hydroxy...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSCc2ccccc2Cl)c1O
Show InChI InChI=1S/C19H17ClN2O3S/c1-25-17-8-12(6-14(9-21)19(22)24)7-15(18(17)23)11-26-10-13-4-2-3-5-16(13)20/h2-8,23H,10-11H2,1H3,(H2,22,24)/b14-6+
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n/an/a 250n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitiory concentration against EGF receptor by polyGAT phosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5148
PNG
((2E)-3-(3-bromo-4,5-dihydroxyphenyl)-N-{3-[(2E)-3-...)
Show SMILES Oc1cc(\C=C(/C#N)C(=O)NCCCNC(=O)C(=C\c2cc(O)c(O)c(Br)c2)\C#N)cc(Br)c1O
Show InChI InChI=1S/C23H18Br2N4O6/c24-16-6-12(8-18(30)20(16)32)4-14(10-26)22(34)28-2-1-3-29-23(35)15(11-27)5-13-7-17(25)21(33)19(31)9-13/h4-9,30-33H,1-3H2,(H,28,34)(H,29,35)/b14-4+,15-5+
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n/an/a 340n/an/an/an/a7.622



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 39: 4905-11 (1996)


Article DOI: 10.1021/jm960225d
BindingDB Entry DOI: 10.7270/Q2V69GSZ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50036691
PNG
((E)-3-[3-(Benzothiazol-2-ylsulfanylmethyl)-4-hydro...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2nc3ccccc3s2)c1O
Show InChI InChI=1S/C19H15N3O3S2/c1-25-15-8-11(6-12(9-20)18(21)24)7-13(17(15)23)10-26-19-22-14-4-2-3-5-16(14)27-19/h2-8,23H,10H2,1H3,(H2,21,24)/b12-6+
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n/an/a 350n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitiory concentration against EGF receptor by polyGAT phosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4293
PNG
((2E)-3-(3,4-dihydroxyphenyl)-2-[(3,4-dihydroxyphen...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C16H11NO5/c17-8-11(5-9-1-3-12(18)14(20)6-9)16(22)10-2-4-13(19)15(21)7-10/h1-7,18-21H/b11-5+
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n/an/a 370n/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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5164
PNG
((2E)-2-{[(1E)-1-cyano-2-(3,4-dihydroxyphenyl)eth-1...)
Show SMILES Oc1ccc(\C=C(/C#N)S(=O)(=O)C(=C\c2ccc(O)c(O)c2)\C#N)cc1O
Show InChI InChI=1S/C18H12N2O6S/c19-9-13(5-11-1-3-15(21)17(23)7-11)27(25,26)14(10-20)6-12-2-4-16(22)18(24)8-12/h1-8,21-24H/b13-5+,14-6+
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n/an/a 380n/an/an/an/a7.622



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 39: 4905-11 (1996)


Article DOI: 10.1021/jm960225d
BindingDB Entry DOI: 10.7270/Q2V69GSZ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50036694
PNG
((E)-2-Cyano-3-(4-hydroxy-3-methoxy-5-phenylsulfany...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccccc2)c1O
Show InChI InChI=1S/C18H16N2O3S/c1-23-16-9-12(7-13(10-19)18(20)22)8-14(17(16)21)11-24-15-5-3-2-4-6-15/h2-9,21H,11H2,1H3,(H2,20,22)/b13-7+
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n/an/a 400n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitory concentration against EGF receptor by autophosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5149
PNG
((2E)-2-cyano-N-{3-[(2E)-2-cyano-3-(3,4-dihydroxyph...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)NCCCNC(=O)C(=C\c2ccc(O)c(O)c2)\C#N)cc1O
Show InChI InChI=1S/C23H20N4O6/c24-12-16(8-14-2-4-18(28)20(30)10-14)22(32)26-6-1-7-27-23(33)17(13-25)9-15-3-5-19(29)21(31)11-15/h2-5,8-11,28-31H,1,6-7H2,(H,26,32)(H,27,33)/b16-8+,17-9+
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n/an/a 400n/an/an/an/a7.622



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 39: 4905-11 (1996)


Article DOI: 10.1021/jm960225d
BindingDB Entry DOI: 10.7270/Q2V69GSZ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4302
PNG
((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-[(1R)-1-phe...)
Show SMILES C[C@@H](NC(=O)C(=C\c1ccc(O)c(O)c1)\C#N)c1ccccc1 |r|
Show InChI InChI=1S/C18H16N2O3/c1-12(14-5-3-2-4-6-14)20-18(23)15(11-19)9-13-7-8-16(21)17(22)10-13/h2-10,12,21-22H,1H3,(H,20,23)/b15-9+/t12-/m1/s1
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n/an/a 400n/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
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50036688
PNG
(2-[5-((E)-2-Carbamoyl-2-cyano-vinyl)-2-hydroxy-3-m...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccccc2C(O)=O)c1O
Show InChI InChI=1S/C19H16N2O5S/c1-26-15-8-11(6-12(9-20)18(21)23)7-13(17(15)22)10-27-16-5-3-2-4-14(16)19(24)25/h2-8,22H,10H2,1H3,(H2,21,23)(H,24,25)/b12-6+
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n/an/a 450n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitiory concentration against EGF receptor by polyGAT phosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5150
PNG
((2E)-2-cyano-N-{2-[(2E)-2-cyano-3-(3,4-dihydroxyph...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)NCCNC(=O)C(=C\c2ccc(O)c(O)c2)\C#N)cc1O
Show InChI InChI=1S/C22H18N4O6/c23-11-15(7-13-1-3-17(27)19(29)9-13)21(31)25-5-6-26-22(32)16(12-24)8-14-2-4-18(28)20(30)10-14/h1-4,7-10,27-30H,5-6H2,(H,25,31)(H,26,32)/b15-7+,16-8+
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n/an/a 500n/an/an/an/a7.622



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 39: 4905-11 (1996)


Article DOI: 10.1021/jm960225d
BindingDB Entry DOI: 10.7270/Q2V69GSZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50046762
PNG
(7,8-Dihydroxy-isoquinoline-3-carboxylic acid amide...)
Show SMILES NC(=O)c1cc2ccc(O)c(O)c2cn1
Show InChI InChI=1S/C10H8N2O3/c11-10(15)7-3-5-1-2-8(13)9(14)6(5)4-12-7/h1-4,13-14H,(H2,11,15)
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n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of p56 lck tyrosine kinase


Bioorg Med Chem Lett 2: 1771-1774 (1992)


Article DOI: 10.1016/S0960-894X(00)80473-4
BindingDB Entry DOI: 10.7270/Q2SF2W33
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4284
PNG
((5,6-Dihydroxyindanylidene)malononitrile | 2-(5,6-...)
Show SMILES [#8]-c1cc2-[#6]-[#6]\[#6](=[#6](\C#N)C#N)-c2cc1-[#8]
Show InChI InChI=1S/C12H8N2O2/c13-5-8(6-14)9-2-1-7-3-11(15)12(16)4-10(7)9/h3-4,15-16H,1-2H2
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n/an/a 500n/an/an/an/a7.622



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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4294
PNG
((2E)-3-(3,4-dihydroxyphenyl)-2-[(4-fluorophenyl)ca...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)c2ccc(F)cc2)cc1O
Show InChI InChI=1S/C16H10FNO3/c17-13-4-2-11(3-5-13)16(21)12(9-18)7-10-1-6-14(19)15(20)8-10/h1-8,19-20H/b12-7+
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n/an/a 560n/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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5151
PNG
((2E)-2-cyano-N-{4-[(2E)-2-cyano-3-(3,4-dihydroxyph...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)NCCCCNC(=O)C(=C\c2ccc(O)c(O)c2)\C#N)cc1O
Show InChI InChI=1S/C24H22N4O6/c25-13-17(9-15-3-5-19(29)21(31)11-15)23(33)27-7-1-2-8-28-24(34)18(14-26)10-16-4-6-20(30)22(32)12-16/h3-6,9-12,29-32H,1-2,7-8H2,(H,27,33)(H,28,34)/b17-9+,18-10+
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n/an/a 600n/an/an/an/a7.622



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 39: 4905-11 (1996)


Article DOI: 10.1021/jm960225d
BindingDB Entry DOI: 10.7270/Q2V69GSZ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5152
PNG
((2E)-2-cyano-N-{4-[(2E)-2-cyano-3-(3,4,5-trihydrox...)
Show SMILES Oc1cc(\C=C(/C#N)C(=O)NCCCCNC(=O)C(=C\c2cc(O)c(O)c(O)c2)\C#N)cc(O)c1O
Show InChI InChI=1S/C24H22N4O8/c25-11-15(5-13-7-17(29)21(33)18(30)8-13)23(35)27-3-1-2-4-28-24(36)16(12-26)6-14-9-19(31)22(34)20(32)10-14/h5-10,29-34H,1-4H2,(H,27,35)(H,28,36)/b15-5+,16-6+
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n/an/a 600n/an/an/an/a7.622



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 39: 4905-11 (1996)


Article DOI: 10.1021/jm960225d
BindingDB Entry DOI: 10.7270/Q2V69GSZ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50036686
PNG
((E)-3-(3-Benzylsulfanylmethyl-4,5-dihydroxy-phenyl...)
Show SMILES NC(=O)C(=C\c1cc(O)c(O)c(CSCc2ccccc2)c1)\C#N
Show InChI InChI=1S/C18H16N2O3S/c19-9-14(18(20)23)6-13-7-15(17(22)16(21)8-13)11-24-10-12-4-2-1-3-5-12/h1-8,21-22H,10-11H2,(H2,20,23)/b14-6+
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n/an/a 640n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitiory concentration against EGF receptor by autophosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5154
PNG
((2E)-2-cyano-N-{6-[(2E)-2-cyano-3-(3,4-dihydroxyph...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)NCCCCCCNC(=O)C(=C\c2ccc(O)c(O)c2)\C#N)cc1O
Show InChI InChI=1S/C26H26N4O6/c27-15-19(11-17-5-7-21(31)23(33)13-17)25(35)29-9-3-1-2-4-10-30-26(36)20(16-28)12-18-6-8-22(32)24(34)14-18/h5-8,11-14,31-34H,1-4,9-10H2,(H,29,35)(H,30,36)/b19-11+,20-12+
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n/an/a 700n/an/an/an/a7.622



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 39: 4905-11 (1996)


Article DOI: 10.1021/jm960225d
BindingDB Entry DOI: 10.7270/Q2V69GSZ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4304
PNG
((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-phenylprop-...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2ccccc2)cc1O
Show InChI InChI=1S/C16H12N2O3/c17-10-12(8-11-6-7-14(19)15(20)9-11)16(21)18-13-4-2-1-3-5-13/h1-9,19-20H,(H,18,21)/b12-8+
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n/an/a 700n/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
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50036679
PNG
((E)-2-Cyano-3-[4-hydroxy-3-methoxy-5-(pyridin-2-yl...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccccn2)c1O
Show InChI InChI=1S/C17H15N3O3S/c1-23-14-8-11(6-12(9-18)17(19)22)7-13(16(14)21)10-24-15-4-2-3-5-20-15/h2-8,21H,10H2,1H3,(H2,19,22)/b12-6+
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n/an/a 700n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitiory concentration against EGF receptor by polyGAT phosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5153
PNG
((2E)-2-cyano-N-{5-[(2E)-2-cyano-3-(3,4-dihydroxyph...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)NCCCCCNC(=O)C(=C\c2ccc(O)c(O)c2)\C#N)cc1O
Show InChI InChI=1S/C25H24N4O6/c26-14-18(10-16-4-6-20(30)22(32)12-16)24(34)28-8-2-1-3-9-29-25(35)19(15-27)11-17-5-7-21(31)23(33)13-17/h4-7,10-13,30-33H,1-3,8-9H2,(H,28,34)(H,29,35)/b18-10+,19-11+
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n/an/a 700n/an/an/an/a7.622



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 39: 4905-11 (1996)


Article DOI: 10.1021/jm960225d
BindingDB Entry DOI: 10.7270/Q2V69GSZ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4303
PNG
((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(3-phenylpr...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)NCCCc2ccccc2)cc1O
Show InChI InChI=1S/C19H18N2O3/c20-13-16(11-15-8-9-17(22)18(23)12-15)19(24)21-10-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,22-23H,4,7,10H2,(H,21,24)/b16-11+
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n/an/a 700n/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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50036688
PNG
(2-[5-((E)-2-Carbamoyl-2-cyano-vinyl)-2-hydroxy-3-m...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccccc2C(O)=O)c1O
Show InChI InChI=1S/C19H16N2O5S/c1-26-15-8-11(6-12(9-20)18(21)23)7-13(17(15)22)10-27-16-5-3-2-4-14(16)19(24)25/h2-8,22H,10H2,1H3,(H2,21,23)(H,24,25)/b12-6+
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n/an/a 710n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of HER-14 (human EGFR overexpressing NIH3T3) cell proliferation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50036678
PNG
(3-(3-Benzylsulfanylmethyl-4-hydroxy-5-methoxy-phen...)
Show SMILES COc1cc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc(CSCc2ccccc2)c1O
Show InChI InChI=1S/C25H21NO5S/c1-31-23-11-17(9-19(13-26)24(29)18-7-8-21(27)22(28)12-18)10-20(25(23)30)15-32-14-16-5-3-2-4-6-16/h2-12,27-28,30H,14-15H2,1H3/b19-9+
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n/an/a 750n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitiory concentration against EGF receptor by polyGAT phosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5165
PNG
((2E)-3-(3-bromo-4,5-dihydroxyphenyl)-2-{[(1E)-2-(3...)
Show SMILES Oc1cc(\C=C(/C#N)S(=O)(=O)C(=C\c2cc(O)c(O)c(Br)c2)\C#N)cc(Br)c1O
Show InChI InChI=1S/C18H10Br2N2O6S/c19-13-3-9(5-15(23)17(13)25)1-11(7-21)29(27,28)12(8-22)2-10-4-14(20)18(26)16(24)6-10/h1-6,23-26H/b11-1+,12-2+
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n/an/a 850n/an/an/an/a7.622



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 39: 4905-11 (1996)


Article DOI: 10.1021/jm960225d
BindingDB Entry DOI: 10.7270/Q2V69GSZ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4305
PNG
((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-[(1S)-1-phe...)
Show SMILES C[C@H](NC(=O)C(=C\c1ccc(O)c(O)c1)\C#N)c1ccccc1 |r|
Show InChI InChI=1S/C18H16N2O3/c1-12(14-5-3-2-4-6-14)20-18(23)15(11-19)9-13-7-8-16(21)17(22)10-13/h2-10,12,21-22H,1H3,(H,20,23)/b15-9+/t12-/m0/s1
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n/an/a 860n/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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4295
PNG
((2E)-3-(3,4-dihydroxyphenyl)-2-[(4-methylphenyl)ca...)
Show SMILES Cc1ccc(cc1)C(=O)C(=C\c1ccc(O)c(O)c1)\C#N
Show InChI InChI=1S/C17H13NO3/c1-11-2-5-13(6-3-11)17(21)14(10-18)8-12-4-7-15(19)16(20)9-12/h2-9,19-20H,1H3/b14-8+
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n/an/a 880n/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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4306
PNG
((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(2-phenylet...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)NCCc2ccccc2)cc1O
Show InChI InChI=1S/C18H16N2O3/c19-12-15(10-14-6-7-16(21)17(22)11-14)18(23)20-9-8-13-4-2-1-3-5-13/h1-7,10-11,21-22H,8-9H2,(H,20,23)/b15-10+
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n/an/a 930n/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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50036686
PNG
((E)-3-(3-Benzylsulfanylmethyl-4,5-dihydroxy-phenyl...)
Show SMILES NC(=O)C(=C\c1cc(O)c(O)c(CSCc2ccccc2)c1)\C#N
Show InChI InChI=1S/C18H16N2O3S/c19-9-14(18(20)23)6-13-7-15(17(22)16(21)8-13)11-24-10-12-4-2-1-3-5-12/h1-8,21-22H,10-11H2,(H2,20,23)/b14-6+
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n/an/a 940n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of HER-14 (human EGFR overexpressing NIH3T3) cell proliferation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5166
PNG
((2E)-2-{[(1E)-1-cyano-2-(3,4-dihydroxy-5-methoxyph...)
Show SMILES COc1cc(\C=C(/C#N)S(=O)(=O)C(=C\c2cc(O)c(O)c(OC)c2)\C#N)cc(O)c1O
Show InChI InChI=1S/C20H16N2O8S/c1-29-17-7-11(5-15(23)19(17)25)3-13(9-21)31(27,28)14(10-22)4-12-6-16(24)20(26)18(8-12)30-2/h3-8,23-26H,1-2H3/b13-3+,14-4+
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n/an/a 940n/an/an/an/a7.622



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 39: 4905-11 (1996)


Article DOI: 10.1021/jm960225d
BindingDB Entry DOI: 10.7270/Q2V69GSZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50040296
PNG
(5-[2-(3,4-Dihydroxy-phenyl)-ethyl]-2-hydroxy-benzo...)
Show SMILES OC(=O)c1cc(CCc2ccc(O)c(O)c2)ccc1O
Show InChI InChI=1S/C15H14O5/c16-12-5-3-9(7-11(12)15(19)20)1-2-10-4-6-13(17)14(18)8-10/h3-8,16-18H,1-2H2,(H,19,20)
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n/an/a 1.00E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of p56lck autophosphorylation


J Med Chem 36: 3010-4 (1993)


BindingDB Entry DOI: 10.7270/Q2XK8DNC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(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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n/an/a 1.00E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of p56lck autophosphorylation


J Med Chem 36: 3010-4 (1993)


BindingDB Entry DOI: 10.7270/Q2XK8DNC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50029199
PNG
(7,8-Dihydroxy-isoquinoline-3-carboxylic acid benzy...)
Show SMILES Oc1ccc2cc(ncc2c1O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C17H14N2O3/c20-15-7-6-12-8-14(18-10-13(12)16(15)21)17(22)19-9-11-4-2-1-3-5-11/h1-8,10,20-21H,9H2,(H,19,22)
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of p56 lck tyrosine kinase


Bioorg Med Chem Lett 2: 1771-1774 (1992)


Article DOI: 10.1016/S0960-894X(00)80473-4
BindingDB Entry DOI: 10.7270/Q2SF2W33
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50280317
PNG
(7,8-Dihydroxy-isoquinoline-3-carboxylic acid pheny...)
Show SMILES Oc1ccc2cc(ncc2c1O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C16H12N2O3/c19-14-7-6-10-8-13(17-9-12(10)15(14)20)16(21)18-11-4-2-1-3-5-11/h1-9,19-20H,(H,18,21)
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of p56 lck tyrosine kinase


Bioorg Med Chem Lett 2: 1771-1774 (1992)


Article DOI: 10.1016/S0960-894X(00)80473-4
BindingDB Entry DOI: 10.7270/Q2SF2W33
More data for this
Ligand-Target Pair
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50036686
PNG
((E)-3-(3-Benzylsulfanylmethyl-4,5-dihydroxy-phenyl...)
Show SMILES NC(=O)C(=C\c1cc(O)c(O)c(CSCc2ccccc2)c1)\C#N
Show InChI InChI=1S/C18H16N2O3S/c19-9-14(18(20)23)6-13-7-15(17(22)16(21)8-13)11-24-10-12-4-2-1-3-5-12/h1-8,21-22H,10-11H2,(H2,20,23)/b14-6+
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n/an/a 1.02E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitory concentration against ErbB2/neu (HER-2) by autophosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4308
PNG
((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(4-phenylbu...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)NCCCCc2ccccc2)cc1O
Show InChI InChI=1S/C20H20N2O3/c21-14-17(12-16-9-10-18(23)19(24)13-16)20(25)22-11-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-10,12-13,23-24H,4-5,8,11H2,(H,22,25)/b17-12+
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n/an/a 1.10E+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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4307
PNG
((2E)-N-(2-chlorophenyl)-2-cyano-3-(3,4-dihydroxyph...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1O
Show InChI InChI=1S/C16H11ClN2O3/c17-12-3-1-2-4-13(12)19-16(22)11(9-18)7-10-5-6-14(20)15(21)8-10/h1-8,20-21H,(H,19,22)/b11-7+
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n/an/a 1.10E+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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4296
PNG
((2E)-2-benzoyl-3-(3,4-dihydroxyphenyl)prop-2-eneni...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)c2ccccc2)cc1O
Show InChI InChI=1S/C16H11NO3/c17-10-13(16(20)12-4-2-1-3-5-12)8-11-6-7-14(18)15(19)9-11/h1-9,18-19H/b13-8+
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n/an/a 1.30E+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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5155
PNG
((2E)-2-cyano-N-{10-[(2E)-2-cyano-3-(3,4-dihydroxyp...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)NCCCCCCCCCCNC(=O)C(=C\c2ccc(O)c(O)c2)\C#N)cc1O
Show InChI InChI=1S/C30H34N4O6/c31-19-23(15-21-9-11-25(35)27(37)17-21)29(39)33-13-7-5-3-1-2-4-6-8-14-34-30(40)24(20-32)16-22-10-12-26(36)28(38)18-22/h9-12,15-18,35-38H,1-8,13-14H2,(H,33,39)(H,34,40)/b23-15+,24-16+
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n/an/a 1.30E+3n/an/an/an/a7.622



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 39: 4905-11 (1996)


Article DOI: 10.1021/jm960225d
BindingDB Entry DOI: 10.7270/Q2V69GSZ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50029199
PNG
(7,8-Dihydroxy-isoquinoline-3-carboxylic acid benzy...)
Show SMILES Oc1ccc2cc(ncc2c1O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C17H14N2O3/c20-15-7-6-12-8-14(18-10-13(12)16(15)21)17(22)19-9-11-4-2-1-3-5-11/h1-8,10,20-21H,9H2,(H,19,22)
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n/an/a 1.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of epidermal growth factor receptor (EGFR)


Bioorg Med Chem Lett 2: 1771-1774 (1992)


Article DOI: 10.1016/S0960-894X(00)80473-4
BindingDB Entry DOI: 10.7270/Q2SF2W33
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50029221
PNG
(7,8-Dihydroxy-isoquinoline-3-carboxylic acid phene...)
Show SMILES Oc1ccc2cc(ncc2c1O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C18H16N2O3/c21-16-7-6-13-10-15(20-11-14(13)17(16)22)18(23)19-9-8-12-4-2-1-3-5-12/h1-7,10-11,21-22H,8-9H2,(H,19,23)
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n/an/a 1.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of epidermal growth factor receptor (EGFR)


Bioorg Med Chem Lett 2: 1771-1774 (1992)


Article DOI: 10.1016/S0960-894X(00)80473-4
BindingDB Entry DOI: 10.7270/Q2SF2W33
More data for this
Ligand-Target Pair
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50036700
PNG
((E)-3-[3-(Benzooxazol-2-ylsulfanylmethyl)-4-hydrox...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2nc3ccccc3o2)c1O
Show InChI InChI=1S/C19H15N3O4S/c1-25-16-8-11(6-12(9-20)18(21)24)7-13(17(16)23)10-27-19-22-14-4-2-3-5-15(14)26-19/h2-8,23H,10H2,1H3,(H2,21,24)/b12-6+
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n/an/a 1.50E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitory concentration against ErbB2/neu (HER-2) by autophosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4309
PNG
(Tyrphostin deriv. 58 | ethyl 2-[(2E)-2-cyano-3-(3,...)
Show SMILES CCOC(=O)C(Cc1ccccc1)NC(=O)C(=C\c1ccc(O)c(O)c1)\C#N
Show InChI InChI=1S/C21H20N2O5/c1-2-28-21(27)17(11-14-6-4-3-5-7-14)23-20(26)16(13-22)10-15-8-9-18(24)19(25)12-15/h3-10,12,17,24-25H,2,11H2,1H3,(H,23,26)/b16-10+
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n/an/a 1.53E+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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4297
PNG
((2E)-2-[(2-chlorophenyl)carbonyl]-3-(3,4-dihydroxy...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)c2ccccc2Cl)cc1O
Show InChI InChI=1S/C16H10ClNO3/c17-13-4-2-1-3-12(13)16(21)11(9-18)7-10-5-6-14(19)15(20)8-10/h1-8,19-20H/b11-7+
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n/an/a 1.54E+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
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50036701
PNG
(2-Cyano-3-[4-hydroxy-3-(4-hydroxy-phenylsulfanylme...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccc(O)cc2)c1O
Show InChI InChI=1S/C18H16N2O4S/c1-24-16-8-11(6-12(9-19)18(20)23)7-13(17(16)22)10-25-15-4-2-14(21)3-5-15/h2-8,21-22H,10H2,1H3,(H2,20,23)/b12-6+
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n/an/a 1.60E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitory concentration against ErbB2/neu (HER-2) by autophosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4310
PNG
((2E)-2-cyano-N-cyclohexyl-3-(3,4-dihydroxyphenyl)p...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)NC2CCCCC2)cc1O
Show InChI InChI=1S/C16H18N2O3/c17-10-12(8-11-6-7-14(19)15(20)9-11)16(21)18-13-4-2-1-3-5-13/h6-9,13,19-20H,1-5H2,(H,18,21)/b12-8+
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n/an/a 1.60E+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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5156
PNG
((2E)-2-cyano-N-[(3-{[(2E)-2-cyano-3-(3,4-dihydroxy...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)NCc2cccc(CNC(=O)C(=C\c3ccc(O)c(O)c3)\C#N)c2)cc1O
Show InChI InChI=1S/C28H22N4O6/c29-13-21(9-17-4-6-23(33)25(35)11-17)27(37)31-15-19-2-1-3-20(8-19)16-32-28(38)22(14-30)10-18-5-7-24(34)26(36)12-18/h1-12,33-36H,15-16H2,(H,31,37)(H,32,38)/b21-9+,22-10+
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n/an/a 1.60E+3n/an/an/an/a7.622



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 39: 4905-11 (1996)


Article DOI: 10.1021/jm960225d
BindingDB Entry DOI: 10.7270/Q2V69GSZ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50036680
PNG
((E)-2-Cyano-3-(4-hydroxy-3-methoxy-5-p-tolylsulfan...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccc(C)cc2)c1O
Show InChI InChI=1S/C19H18N2O3S/c1-12-3-5-16(6-4-12)25-11-15-8-13(7-14(10-20)19(21)23)9-17(24-2)18(15)22/h3-9,22H,11H2,1-2H3,(H2,21,23)/b14-7+
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n/an/a 1.65E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibitory concentration against ErbB2/neu (HER-2) by autophosphorylation


J Med Chem 36: 3556-64 (1994)


BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
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