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Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor and ErbB2 (HER1 and HER2)'   
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 and ErbB2 (HER1 and HER2)


(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)


Article DOI: 10.1021/jm00075a010
BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(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)


Article DOI: 10.1021/jm00075a010
BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(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)


Article DOI: 10.1021/jm00075a010
BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50404281
PNG
(CHEMBL2111784)
Show SMILES C[C@H](Nc1cc(ccn1)-c1sc(nc1-c1ccc(F)cc1)C1CCN(C)CC1)c1ccccc1
Show InChI InChI=1S/C28H29FN4S/c1-19(20-6-4-3-5-7-20)31-25-18-23(12-15-30-25)27-26(21-8-10-24(29)11-9-21)32-28(34-27)22-13-16-33(2)17-14-22/h3-12,15,18-19,22H,13-14,16-17H2,1-2H3,(H,30,31)/t19-/m0/s1
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n/an/a 280n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human epidermal growth factor receptor


Bioorg Med Chem Lett 14: 3595-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.106
BindingDB Entry DOI: 10.7270/Q2V69J2C
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50289961
PNG
(CHEMBL65376 | Pentanedioic acid furan-2-ylmethyl e...)
Show SMILES [O-][N+](=O)\C=C\c1ccc(OC(=O)CCCC(=O)OCc2ccco2)cc1
Show InChI InChI=1S/C18H17NO7/c20-17(25-13-16-3-2-12-24-16)4-1-5-18(21)26-15-8-6-14(7-9-15)10-11-19(22)23/h2-3,6-12H,1,4-5,13H2/b11-10+
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n/an/a 290n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ligand-stimulated autophosphorylation of EGFR/HER2 chimeric receptor expressed in NIH3T3 cells


Bioorg Med Chem Lett 7: 2109-2114 (1997)


Article DOI: 10.1016/S0960-894X(97)00369-7
BindingDB Entry DOI: 10.7270/Q2N016H3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(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)


Article DOI: 10.1021/jm00075a010
BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50289957
PNG
(CHEMBL304442 | Pentanedioic acid 4-((E)-2-nitro-vi...)
Show SMILES [O-][N+](=O)\C=C\c1ccc(OC(=O)CCCC(=O)Oc2ccccc2)cc1
Show InChI InChI=1S/C19H17NO6/c21-18(25-16-5-2-1-3-6-16)7-4-8-19(22)26-17-11-9-15(10-12-17)13-14-20(23)24/h1-3,5-6,9-14H,4,7-8H2/b14-13+
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TBA

Curated by ChEMBL


Assay Description
Inhibition of ligand-stimulated autophosphorylation of EGFR/HER2 chimeric receptor expressed in NIH3T3 cells


Bioorg Med Chem Lett 7: 2109-2114 (1997)


Article DOI: 10.1016/S0960-894X(97)00369-7
BindingDB Entry DOI: 10.7270/Q2N016H3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(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)


Article DOI: 10.1021/jm00075a010
BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(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)


Article DOI: 10.1021/jm00075a010
BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50289964
PNG
(CHEMBL63559 | Pentanedioic acid 4-methoxy-phenyl e...)
Show SMILES COc1ccc(OC(=O)CCCC(=O)Oc2ccc(\C=C\[N+]([O-])=O)cc2)cc1
Show InChI InChI=1S/C20H19NO7/c1-26-16-9-11-18(12-10-16)28-20(23)4-2-3-19(22)27-17-7-5-15(6-8-17)13-14-21(24)25/h5-14H,2-4H2,1H3/b14-13+
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ligand-stimulated autophosphorylation of EGFR/HER2 chimeric receptor expressed in NIH3T3 cells


Bioorg Med Chem Lett 7: 2109-2114 (1997)


Article DOI: 10.1016/S0960-894X(97)00369-7
BindingDB Entry DOI: 10.7270/Q2N016H3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(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)


Article DOI: 10.1021/jm00075a010
BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50148690
PNG
(4-[5-(2-Cyclohexylamino-pyridin-4-yl)-4-(4-fluoro-...)
Show SMILES OC1(CCNCC1)c1nc(c(o1)-c1ccnc(NC2CCCCC2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H29FN4O2/c26-19-8-6-17(7-9-19)22-23(32-24(30-22)25(31)11-14-27-15-12-25)18-10-13-28-21(16-18)29-20-4-2-1-3-5-20/h6-10,13,16,20,27,31H,1-5,11-12,14-15H2,(H,28,29)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human epidermal growth factor receptor


Bioorg Med Chem Lett 14: 3595-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.106
BindingDB Entry DOI: 10.7270/Q2V69J2C
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(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)


Article DOI: 10.1021/jm00075a010
BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(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)


Article DOI: 10.1021/jm00075a010
BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(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)


Article DOI: 10.1021/jm00075a010
BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50289963
PNG
(CHEMBL3142195 | CHEMBL92506 | Pentanedioic acid (2...)
Show SMILES CC(C)O[C@@H]1[C@@H](COC(=O)CCCC(=O)Oc2ccc(\C=C\[N+]([O-])=O)cc2)O[C@H]([C@@H]1OC(C)C)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C29H36N6O9/c1-17(2)41-25-21(44-29(26(25)42-18(3)4)34-16-33-24-27(30)31-15-32-28(24)34)14-40-22(36)6-5-7-23(37)43-20-10-8-19(9-11-20)12-13-35(38)39/h8-13,15-18,21,25-26,29H,5-7,14H2,1-4H3,(H2,30,31,32)/b13-12+
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n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ligand-stimulated autophosphorylation of EGFR/HER2 chimeric receptor expressed in NIH3T3 cells


Bioorg Med Chem Lett 7: 2109-2114 (1997)


Article DOI: 10.1016/S0960-894X(97)00369-7
BindingDB Entry DOI: 10.7270/Q2N016H3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50036681
PNG
((E)-2-Cyano-3-[3-(4,5-dihydro-thiazol-2-ylsulfanyl...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSC2=NCCS2)c1O
Show InChI InChI=1S/C15H15N3O3S2/c1-21-12-6-9(4-10(7-16)14(17)20)5-11(13(12)19)8-23-15-18-2-3-22-15/h4-6,19H,2-3,8H2,1H3,(H2,17,20)/b10-4+
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n/an/a 2.00E+3n/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)


Article DOI: 10.1021/jm00075a010
BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50036689
PNG
(2-(4-Hydroxy-3-methoxy-5-phenylsulfanylmethyl-benz...)
Show SMILES COc1cc(C=C(C#N)C#N)cc(CSc2ccccc2)c1O
Show InChI InChI=1S/C18H14N2O2S/c1-22-17-9-13(7-14(10-19)11-20)8-15(18(17)21)12-23-16-5-3-2-4-6-16/h2-9,21H,12H2,1H3
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n/an/a 2.50E+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)


Article DOI: 10.1021/jm00075a010
BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50036685
PNG
(3-[3-(4-Chloro-benzylsulfanylmethyl)-4-hydroxy-5-m...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSCc2ccc(Cl)cc2)c1O
Show InChI InChI=1S/C19H17ClN2O3S/c1-25-17-8-13(6-14(9-21)19(22)24)7-15(18(17)23)11-26-10-12-2-4-16(20)5-3-12/h2-8,23H,10-11H2,1H3,(H2,22,24)/b14-6+
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n/an/a 3.00E+3n/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)


Article DOI: 10.1021/jm00075a010
BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50036702
PNG
((E)-3-[3-(2-Acetylamino-phenylsulfanylmethyl)-4-hy...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccccc2NC(C)=O)c1O
Show InChI InChI=1S/C20H19N3O4S/c1-12(24)23-16-5-3-4-6-18(16)28-11-15-8-13(7-14(10-21)20(22)26)9-17(27-2)19(15)25/h3-9,25H,11H2,1-2H3,(H2,22,26)(H,23,24)/b14-7+
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n/an/a 3.30E+3n/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)


Article DOI: 10.1021/jm00075a010
BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50036690
PNG
(2-Cyano-3-[4-hydroxy-3-methoxy-5-(naphthalen-2-yls...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccc3ccccc3c2)c1O
Show InChI InChI=1S/C22H18N2O3S/c1-27-20-10-14(8-17(12-23)22(24)26)9-18(21(20)25)13-28-19-7-6-15-4-2-3-5-16(15)11-19/h2-11,25H,13H2,1H3,(H2,24,26)/b17-8+
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n/an/a 4.60E+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)


Article DOI: 10.1021/jm00075a010
BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50214741
PNG
(CHEMBL65096)
Show SMILES [O-][N+](=O)\C=C\c1ccc(OC(=O)CCCC(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C20H20N2O5/c23-19(21-15-17-5-2-1-3-6-17)7-4-8-20(24)27-18-11-9-16(10-12-18)13-14-22(25)26/h1-3,5-6,9-14H,4,7-8,15H2,(H,21,23)/b14-13+
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n/an/a 4.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ligand-stimulated autophosphorylation of EGFR/HER2 chimeric receptor expressed in NIH3T3 cells


Bioorg Med Chem Lett 7: 2109-2114 (1997)


Article DOI: 10.1016/S0960-894X(97)00369-7
BindingDB Entry DOI: 10.7270/Q2N016H3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50036697
PNG
((E)-3-[3-(1H-Benzoimidazol-2-ylsulfanylmethyl)-4-h...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2nc3ccccc3[nH]2)c1O
Show InChI InChI=1S/C19H16N4O3S/c1-26-16-8-11(6-12(9-20)18(21)25)7-13(17(16)24)10-27-19-22-14-4-2-3-5-15(14)23-19/h2-8,24H,10H2,1H3,(H2,21,25)(H,22,23)/b12-6+
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n/an/a 6.10E+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)


Article DOI: 10.1021/jm00075a010
BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(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 6.20E+3n/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)


Article DOI: 10.1021/jm00075a010
BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50036695
PNG
(2-[5-(2,2-Dicyano-vinyl)-2-hydroxy-3-methoxy-benzy...)
Show SMILES COc1cc(C=C(C#N)C#N)cc(CSc2ccccc2C(O)=O)c1O
Show InChI InChI=1S/C19H14N2O4S/c1-25-16-8-12(6-13(9-20)10-21)7-14(18(16)22)11-26-17-5-3-2-4-15(17)19(23)24/h2-8,22H,11H2,1H3,(H,23,24)
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n/an/a>8.00E+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)


Article DOI: 10.1021/jm00075a010
BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50036692
PNG
(3-[3-(Benzothiazol-2-ylsulfanylmethyl)-4,5-dihydro...)
Show SMILES NC(=O)C(=C\c1cc(O)c(O)c(CSc2nc3ccccc3s2)c1)\C#N
Show InChI InChI=1S/C18H13N3O3S2/c19-8-11(17(20)24)5-10-6-12(16(23)14(22)7-10)9-25-18-21-13-3-1-2-4-15(13)26-18/h1-7,22-23H,9H2,(H2,20,24)/b11-5+
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n/an/a 8.10E+3n/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)


Article DOI: 10.1021/jm00075a010
BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50214742
PNG
(CHEMBL302905)
Show SMILES COc1cccc(OC(=O)CCCC(=O)Oc2ccc(\C=C\[N+]([O-])=O)cc2)c1
Show InChI InChI=1S/C20H19NO7/c1-26-17-4-2-5-18(14-17)28-20(23)7-3-6-19(22)27-16-10-8-15(9-11-16)12-13-21(24)25/h2,4-5,8-14H,3,6-7H2,1H3/b13-12+
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n/an/a 9.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ligand-stimulated autophosphorylation of EGFR/HER2 chimeric receptor expressed in NIH3T3 cells


Bioorg Med Chem Lett 7: 2109-2114 (1997)


Article DOI: 10.1016/S0960-894X(97)00369-7
BindingDB Entry DOI: 10.7270/Q2N016H3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50214738
PNG
(CHEMBL65594)
Show SMILES [O-][N+](=O)\C=C\c1ccc(OC(=O)CCCC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C19H18N2O5/c22-18(20-16-5-2-1-3-6-16)7-4-8-19(23)26-17-11-9-15(10-12-17)13-14-21(24)25/h1-3,5-6,9-14H,4,7-8H2,(H,20,22)/b14-13+
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ligand-stimulated autophosphorylation of EGFR/HER2 chimeric receptor expressed in NIH3T3 cells


Bioorg Med Chem Lett 7: 2109-2114 (1997)


Article DOI: 10.1016/S0960-894X(97)00369-7
BindingDB Entry DOI: 10.7270/Q2N016H3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50214743
PNG
(CHEMBL63650)
Show SMILES [O-][N+](=O)\C=C\c1ccc(OC(=O)CCCC(=O)Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C19H16FNO6/c20-15-6-10-17(11-7-15)27-19(23)3-1-2-18(22)26-16-8-4-14(5-9-16)12-13-21(24)25/h4-13H,1-3H2/b13-12+
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ligand-stimulated autophosphorylation of EGFR/HER2 chimeric receptor expressed in NIH3T3 cells


Bioorg Med Chem Lett 7: 2109-2114 (1997)


Article DOI: 10.1016/S0960-894X(97)00369-7
BindingDB Entry DOI: 10.7270/Q2N016H3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50214739
PNG
(CHEMBL68413)
Show SMILES COc1ccccc1OC(=O)CCCC(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1
Show InChI InChI=1S/C20H19NO7/c1-26-17-5-2-3-6-18(17)28-20(23)8-4-7-19(22)27-16-11-9-15(10-12-16)13-14-21(24)25/h2-3,5-6,9-14H,4,7-8H2,1H3/b14-13+
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ligand-stimulated autophosphorylation of EGFR/HER2 chimeric receptor expressed in NIH3T3 cells


Bioorg Med Chem Lett 7: 2109-2114 (1997)


Article DOI: 10.1016/S0960-894X(97)00369-7
BindingDB Entry DOI: 10.7270/Q2N016H3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50148694
PNG
(4-[1-(2-Cyclopentylamino-pyrimidin-4-yl)-2-(3-trif...)
Show SMILES CN1CCC(O)(CC1)c1cn(c(n1)-c1cccc(c1)C(F)(F)F)-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C25H29F3N6O/c1-33-13-10-24(35,11-14-33)20-16-34(21-9-12-29-23(32-21)30-19-7-2-3-8-19)22(31-20)17-5-4-6-18(15-17)25(26,27)28/h4-6,9,12,15-16,19,35H,2-3,7-8,10-11,13-14H2,1H3,(H,29,30,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human HER-2


Bioorg Med Chem Lett 14: 3595-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.106
BindingDB Entry DOI: 10.7270/Q2V69J2C
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50148692
PNG
(CHEMBL120185 | Cyclopentyl-{4-[2-(4-fluoro-phenyl)...)
Show SMILES CN1CCN(CC1)c1ccc2n(c(nc2n1)-c1ccc(F)cc1)-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C26H29FN8/c1-33-14-16-34(17-15-33)22-11-10-21-24(30-22)32-25(18-6-8-19(27)9-7-18)35(21)23-12-13-28-26(31-23)29-20-4-2-3-5-20/h6-13,20H,2-5,14-17H2,1H3,(H,28,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human HER-2


Bioorg Med Chem Lett 14: 3595-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.106
BindingDB Entry DOI: 10.7270/Q2V69J2C
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50214740
PNG
(CHEMBL67009)
Show SMILES [O-][N+](=O)\C=C\c1ccc(OC(=O)CCCC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C20H19NO6/c22-19(26-15-17-5-2-1-3-6-17)7-4-8-20(23)27-18-11-9-16(10-12-18)13-14-21(24)25/h1-3,5-6,9-14H,4,7-8,15H2/b14-13+
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ligand-stimulated autophosphorylation of EGFR/HER2 chimeric receptor expressed in NIH3T3 cells


Bioorg Med Chem Lett 7: 2109-2114 (1997)


Article DOI: 10.1016/S0960-894X(97)00369-7
BindingDB Entry DOI: 10.7270/Q2N016H3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50214737
PNG
(CHEMBL63772)
Show SMILES [O-][N+](=O)\C=C\c1ccc(OC(=O)CCCC(=O)OCCc2ccccc2)cc1
Show InChI InChI=1S/C21H21NO6/c23-20(27-16-14-17-5-2-1-3-6-17)7-4-8-21(24)28-19-11-9-18(10-12-19)13-15-22(25)26/h1-3,5-6,9-13,15H,4,7-8,14,16H2/b15-13+
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ligand-stimulated autophosphorylation of EGFR/HER2 chimeric receptor expressed in NIH3T3 cells


Bioorg Med Chem Lett 7: 2109-2114 (1997)


Article DOI: 10.1016/S0960-894X(97)00369-7
BindingDB Entry DOI: 10.7270/Q2N016H3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50036683
PNG
((E)-3-[3-(5-Chloro-benzothiazol-2-ylsulfanylmethyl...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2nc3cc(Cl)ccc3s2)c1O
Show InChI InChI=1S/C19H14ClN3O3S2/c1-26-15-6-10(4-11(8-21)18(22)25)5-12(17(15)24)9-27-19-23-14-7-13(20)2-3-16(14)28-19/h2-7,24H,9H2,1H3,(H2,22,25)/b11-4+
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n/an/a 1.50E+4n/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of polyGAT phosphorylation by EGF receptor


J Med Chem 36: 3556-64 (1994)


Article DOI: 10.1021/jm00075a010
BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50036704
PNG
(4-[5-(2-Carbamoyl-2-cyano-vinyl)-2-hydroxy-3-metho...)
Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSCCCC(O)=O)c1O
Show InChI InChI=1S/C16H18N2O5S/c1-23-13-7-10(5-11(8-17)16(18)22)6-12(15(13)21)9-24-4-2-3-14(19)20/h5-7,21H,2-4,9H2,1H3,(H2,18,22)(H,19,20)/b11-5+
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n/an/a 1.60E+4n/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)


Article DOI: 10.1021/jm00075a010
BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50036696
PNG
(2-[4-Hydroxy-3-methoxy-5-(toluene-4-sulfonylmethyl...)
Show SMILES COc1cc(C=C(C#N)C#N)cc(CS(=O)(=O)c2ccc(C)cc2)c1O
Show InChI InChI=1S/C19H16N2O4S/c1-13-3-5-17(6-4-13)26(23,24)12-16-8-14(7-15(10-20)11-21)9-18(25-2)19(16)22/h3-9,22H,12H2,1-2H3
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n/an/a 1.74E+4n/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)


Article DOI: 10.1021/jm00075a010
BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50036684
PNG
(2-(3,4-Dihydroxy-5-methyl-benzylidene)-malononitri...)
Show SMILES Cc1cc(C=C(C#N)C#N)cc(O)c1O
Show InChI InChI=1S/C11H8N2O2/c1-7-2-8(3-9(5-12)6-13)4-10(14)11(7)15/h2-4,14-15H,1H3
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n/an/a 5.90E+4n/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)


Article DOI: 10.1021/jm00075a010
BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50036682
PNG
(CHEMBL120719 | [5-(2,2-Dicyano-vinyl)-2-hydroxy-3-...)
Show SMILES COc1cc(C=C(C#N)C#N)cc(CSCC(O)=O)c1O
Show InChI InChI=1S/C14H12N2O4S/c1-20-12-4-9(2-10(5-15)6-16)3-11(14(12)19)7-21-8-13(17)18/h2-4,19H,7-8H2,1H3,(H,17,18)
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n/an/a 9.10E+4n/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)


Article DOI: 10.1021/jm00075a010
BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50036699
PNG
(2-(4-Hydroxy-3-methoxy-5-methyl-benzylidene)-malon...)
Show SMILES COc1cc(C=C(C#N)C#N)cc(C)c1O
Show InChI InChI=1S/C12H10N2O2/c1-8-3-9(4-10(6-13)7-14)5-11(16-2)12(8)15/h3-5,15H,1-2H3
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n/an/a 1.12E+5n/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)


Article DOI: 10.1021/jm00075a010
BindingDB Entry DOI: 10.7270/Q2MP52B9
More data for this
Ligand-Target Pair