Found 197 hits with Last Name = 'matsuo' and Initial = 'k' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5446
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of EGFR phosphorylation in EGF-stimulated human A431 after 2 hrs by Western blot analysis |
Bioorg Med Chem Lett 22: 456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.103
BindingDB Entry DOI: 10.7270/Q2NV9JP4 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5447
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of EGFR phosphorylation in EGF-stimulated human A431 after 2 hrs by Western blot analysis |
Bioorg Med Chem Lett 22: 456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.103
BindingDB Entry DOI: 10.7270/Q2NV9JP4 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5447
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of EGFR by homogeneous time-resolved fluorescence assay |
Bioorg Med Chem Lett 21: 1601-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.119
BindingDB Entry DOI: 10.7270/Q2RX9CCN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5446
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of EGFR by homogeneous time-resolved fluorescence assay |
Bioorg Med Chem Lett 21: 1601-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.119
BindingDB Entry DOI: 10.7270/Q2RX9CCN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50360457
(CHEMBL1934623)Show SMILES CC(C)NCc1ccc(cc1)C#Cc1c(C)ncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C30H28ClFN4O/c1-20(2)33-17-23-9-7-22(8-10-23)11-13-27-21(3)34-19-35-30(27)36-26-12-14-29(28(31)16-26)37-18-24-5-4-6-25(32)15-24/h4-10,12,14-16,19-20,33H,17-18H2,1-3H3,(H,34,35,36) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of EGFR phosphorylation in EGF-stimulated human A431 after 2 hrs by Western blot analysis |
Bioorg Med Chem Lett 22: 456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.103
BindingDB Entry DOI: 10.7270/Q2NV9JP4 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50338593
(3-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-6...)Show SMILES Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1\C=C(/F)C(=O)NCCN1CCCC1 Show InChI InChI=1S/C27H28ClF2N5O2/c1-18-22(15-24(30)27(36)31-9-12-35-10-2-3-11-35)26(33-17-32-18)34-21-7-8-25(23(28)14-21)37-16-19-5-4-6-20(29)13-19/h4-8,13-15,17H,2-3,9-12,16H2,1H3,(H,31,36)(H,32,33,34)/b24-15- | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of EGFR by homogeneous time-resolved fluorescence assay |
Bioorg Med Chem Lett 21: 1601-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.119
BindingDB Entry DOI: 10.7270/Q2RX9CCN |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50360459
(CHEMBL1934625)Show SMILES CN(C)Cc1ccc(cc1)C#Cc1c(C)ncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C29H26ClFN4O/c1-20-26(13-11-21-7-9-22(10-8-21)17-35(2)3)29(33-19-32-20)34-25-12-14-28(27(30)16-25)36-18-23-5-4-6-24(31)15-23/h4-10,12,14-16,19H,17-18H2,1-3H3,(H,32,33,34) | PDB
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of EGFR phosphorylation in EGF-stimulated human A431 after 2 hrs by Western blot analysis |
Bioorg Med Chem Lett 22: 456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.103
BindingDB Entry DOI: 10.7270/Q2NV9JP4 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50338600
(CHEMBL1683974 | N-(3-chloro-4-(3-fluorobenzyloxy)p...)Show SMILES CCN1CCN(CCCC#Cc2c(C)ncnc2Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)CC1 Show InChI InChI=1S/C29H33ClFN5O/c1-3-35-14-16-36(17-15-35)13-6-4-5-10-26-22(2)32-21-33-29(26)34-25-11-12-28(27(30)19-25)37-20-23-8-7-9-24(31)18-23/h7-9,11-12,18-19,21H,3-4,6,13-17,20H2,1-2H3,(H,32,33,34) | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of EGFR by homogeneous time-resolved fluorescence assay |
Bioorg Med Chem Lett 21: 1601-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.119
BindingDB Entry DOI: 10.7270/Q2RX9CCN |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50360458
(CHEMBL1934624)Show SMILES Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#Cc1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C31H28ClFN4O/c1-22-28(13-11-23-7-9-24(10-8-23)19-37-15-2-3-16-37)31(35-21-34-22)36-27-12-14-30(29(32)18-27)38-20-25-5-4-6-26(33)17-25/h4-10,12,14,17-18,21H,2-3,15-16,19-20H2,1H3,(H,34,35,36) | PDB
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Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of EGFR phosphorylation in EGF-stimulated human A431 after 2 hrs by Western blot analysis |
Bioorg Med Chem Lett 22: 456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.103
BindingDB Entry DOI: 10.7270/Q2NV9JP4 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM5445
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35) | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HER2 by homogeneous time-resolved fluorescence assay |
Bioorg Med Chem Lett 21: 1601-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.119
BindingDB Entry DOI: 10.7270/Q2RX9CCN |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM5445
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35) | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Her-2 by time-resolved fluorescence assay |
Bioorg Med Chem Lett 22: 456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.103
BindingDB Entry DOI: 10.7270/Q2NV9JP4 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM5445
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35) | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Her-2 by time-resolved fluorescence assay |
Bioorg Med Chem Lett 22: 456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.103
BindingDB Entry DOI: 10.7270/Q2NV9JP4 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5445
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of EGFR phosphorylation in EGF-stimulated human A431 after 2 hrs by Western blot analysis |
Bioorg Med Chem Lett 22: 456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.103
BindingDB Entry DOI: 10.7270/Q2NV9JP4 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5445
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of EGFR phosphorylation in EGF-stimulated human A431 after 2 hrs by Western blot analysis |
Bioorg Med Chem Lett 22: 456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.103
BindingDB Entry DOI: 10.7270/Q2NV9JP4 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5445
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of EGFR by homogeneous time-resolved fluorescence assay |
Bioorg Med Chem Lett 21: 1601-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.119
BindingDB Entry DOI: 10.7270/Q2RX9CCN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50338599
(CHEMBL1683973 | N-(3-chloro-4-(3-fluorobenzyloxy)p...)Show SMILES Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#CCCCN1CCCC1 Show InChI InChI=1S/C27H28ClFN4O/c1-20-24(10-3-2-4-13-33-14-5-6-15-33)27(31-19-30-20)32-23-11-12-26(25(28)17-23)34-18-21-8-7-9-22(29)16-21/h7-9,11-12,16-17,19H,2,4-6,13-15,18H2,1H3,(H,30,31,32) | PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of EGFR by homogeneous time-resolved fluorescence assay |
Bioorg Med Chem Lett 21: 1601-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.119
BindingDB Entry DOI: 10.7270/Q2RX9CCN |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50338596
(CHEMBL1683970 | N-(3-chloro-4-(3-fluorobenzyloxy)p...)Show SMILES Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#CCCN1CCOCC1 Show InChI InChI=1S/C26H26ClFN4O2/c1-19-23(7-2-3-10-32-11-13-33-14-12-32)26(30-18-29-19)31-22-8-9-25(24(27)16-22)34-17-20-5-4-6-21(28)15-20/h4-6,8-9,15-16,18H,3,10-14,17H2,1H3,(H,29,30,31) | PDB
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| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of EGFR by homogeneous time-resolved fluorescence assay |
Bioorg Med Chem Lett 21: 1601-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.119
BindingDB Entry DOI: 10.7270/Q2RX9CCN |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50338609
(CHEMBL1683955 | N-(3-chloro-4-(3-fluorobenzyloxy)p...)Show InChI InChI=1S/C19H17ClFN3O/c1-12-13(2)22-11-23-19(12)24-16-6-7-18(17(20)9-16)25-10-14-4-3-5-15(21)8-14/h3-9,11H,10H2,1-2H3,(H,22,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of EGFR by homogeneous time-resolved fluorescence assay |
Bioorg Med Chem Lett 21: 1601-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.119
BindingDB Entry DOI: 10.7270/Q2RX9CCN |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50338591
(3-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-6...)Show SMILES Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1\C=C(/F)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C27H28ClF2N5O3/c1-18-22(15-24(30)27(36)31-7-8-35-9-11-37-12-10-35)26(33-17-32-18)34-21-5-6-25(23(28)14-21)38-16-19-3-2-4-20(29)13-19/h2-6,13-15,17H,7-12,16H2,1H3,(H,31,36)(H,32,33,34)/b24-15- | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of EGFR by homogeneous time-resolved fluorescence assay |
Bioorg Med Chem Lett 21: 1601-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.119
BindingDB Entry DOI: 10.7270/Q2RX9CCN |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50360457
(CHEMBL1934623)Show SMILES CC(C)NCc1ccc(cc1)C#Cc1c(C)ncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C30H28ClFN4O/c1-20(2)33-17-23-9-7-22(8-10-23)11-13-27-21(3)34-19-35-30(27)36-26-12-14-29(28(31)16-26)37-18-24-5-4-6-25(32)15-24/h4-10,12,14-16,19-20,33H,17-18H2,1-3H3,(H,34,35,36) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Her-2 by time-resolved fluorescence assay |
Bioorg Med Chem Lett 22: 456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.103
BindingDB Entry DOI: 10.7270/Q2NV9JP4 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50338594
(3-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-6...)Show SMILES Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1\C=C(/F)C(=O)NCCS(C)(=O)=O Show InChI InChI=1S/C24H23ClF2N4O4S/c1-15-19(12-21(27)24(32)28-8-9-36(2,33)34)23(30-14-29-15)31-18-6-7-22(20(25)11-18)35-13-16-4-3-5-17(26)10-16/h3-7,10-12,14H,8-9,13H2,1-2H3,(H,28,32)(H,29,30,31)/b21-12- | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of EGFR by homogeneous time-resolved fluorescence assay |
Bioorg Med Chem Lett 21: 1601-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.119
BindingDB Entry DOI: 10.7270/Q2RX9CCN |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50338593
(3-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-6...)Show SMILES Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1\C=C(/F)C(=O)NCCN1CCCC1 Show InChI InChI=1S/C27H28ClF2N5O2/c1-18-22(15-24(30)27(36)31-9-12-35-10-2-3-11-35)26(33-17-32-18)34-21-7-8-25(23(28)14-21)37-16-19-5-4-6-20(29)13-19/h4-8,13-15,17H,2-3,9-12,16H2,1H3,(H,31,36)(H,32,33,34)/b24-15- | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HER2 by homogeneous time-resolved fluorescence assay |
Bioorg Med Chem Lett 21: 1601-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.119
BindingDB Entry DOI: 10.7270/Q2RX9CCN |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50360456
(CHEMBL1934622)Show SMILES Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#Cc1ccc(CNCCS(C)(=O)=O)cc1 Show InChI InChI=1S/C30H28ClFN4O3S/c1-21-27(12-10-22-6-8-23(9-7-22)18-33-14-15-40(2,37)38)30(35-20-34-21)36-26-11-13-29(28(31)17-26)39-19-24-4-3-5-25(32)16-24/h3-9,11,13,16-17,20,33H,14-15,18-19H2,1-2H3,(H,34,35,36) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of EGFR phosphorylation in EGF-stimulated human A431 after 2 hrs by Western blot analysis |
Bioorg Med Chem Lett 22: 456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.103
BindingDB Entry DOI: 10.7270/Q2NV9JP4 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50360466
(CHEMBL1934632)Show SMILES CC(C)NCc1ccc(\C=C\c2c(C)ncnc2Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1 Show InChI InChI=1S/C30H30ClFN4O/c1-20(2)33-17-23-9-7-22(8-10-23)11-13-27-21(3)34-19-35-30(27)36-26-12-14-29(28(31)16-26)37-18-24-5-4-6-25(32)15-24/h4-16,19-20,33H,17-18H2,1-3H3,(H,34,35,36)/b13-11+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of EGFR phosphorylation in EGF-stimulated human A431 after 2 hrs by Western blot analysis |
Bioorg Med Chem Lett 22: 456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.103
BindingDB Entry DOI: 10.7270/Q2NV9JP4 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50338589
(3-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-6...)Show SMILES C\C(=C/c1c(C)ncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C28H31ClFN5O3/c1-19(28(36)31-8-9-35-10-12-37-13-11-35)14-24-20(2)32-18-33-27(24)34-23-6-7-26(25(29)16-23)38-17-21-4-3-5-22(30)15-21/h3-7,14-16,18H,8-13,17H2,1-2H3,(H,31,36)(H,32,33,34)/b19-14+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of EGFR by homogeneous time-resolved fluorescence assay |
Bioorg Med Chem Lett 21: 1601-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.119
BindingDB Entry DOI: 10.7270/Q2RX9CCN |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50360466
(CHEMBL1934632)Show SMILES CC(C)NCc1ccc(\C=C\c2c(C)ncnc2Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1 Show InChI InChI=1S/C30H30ClFN4O/c1-20(2)33-17-23-9-7-22(8-10-23)11-13-27-21(3)34-19-35-30(27)36-26-12-14-29(28(31)16-26)37-18-24-5-4-6-25(32)15-24/h4-16,19-20,33H,17-18H2,1-3H3,(H,34,35,36)/b13-11+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Her-2 by time-resolved fluorescence assay |
Bioorg Med Chem Lett 22: 456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.103
BindingDB Entry DOI: 10.7270/Q2NV9JP4 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50360461
(CHEMBL1934628)Show SMILES Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#Cc1ccc(CN2CCCC2)s1 Show InChI InChI=1S/C29H26ClFN4OS/c1-20-26(11-10-24-8-9-25(37-24)17-35-13-2-3-14-35)29(33-19-32-20)34-23-7-12-28(27(30)16-23)36-18-21-5-4-6-22(31)15-21/h4-9,12,15-16,19H,2-3,13-14,17-18H2,1H3,(H,32,33,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of EGFR phosphorylation in EGF-stimulated human A431 after 2 hrs by Western blot analysis |
Bioorg Med Chem Lett 22: 456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.103
BindingDB Entry DOI: 10.7270/Q2NV9JP4 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50338587
(CHEMBL1683961 | N-(3-chloro-4-(3-fluorobenzyloxy)p...)Show SMILES Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#CCCCN1CCOCC1 Show InChI InChI=1S/C27H28ClFN4O2/c1-20-24(8-3-2-4-11-33-12-14-34-15-13-33)27(31-19-30-20)32-23-9-10-26(25(28)17-23)35-18-21-6-5-7-22(29)16-21/h5-7,9-10,16-17,19H,2,4,11-15,18H2,1H3,(H,30,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of EGFR by homogeneous time-resolved fluorescence assay |
Bioorg Med Chem Lett 21: 1601-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.119
BindingDB Entry DOI: 10.7270/Q2RX9CCN |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50338600
(CHEMBL1683974 | N-(3-chloro-4-(3-fluorobenzyloxy)p...)Show SMILES CCN1CCN(CCCC#Cc2c(C)ncnc2Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)CC1 Show InChI InChI=1S/C29H33ClFN5O/c1-3-35-14-16-36(17-15-35)13-6-4-5-10-26-22(2)32-21-33-29(26)34-25-11-12-28(27(30)19-25)37-20-23-8-7-9-24(31)18-23/h7-9,11-12,18-19,21H,3-4,6,13-17,20H2,1-2H3,(H,32,33,34) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HER2 by homogeneous time-resolved fluorescence assay |
Bioorg Med Chem Lett 21: 1601-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.119
BindingDB Entry DOI: 10.7270/Q2RX9CCN |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50338598
(3-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-6...)Show SMILES Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#C\C=N\OCCN1CCOCC1 Show InChI InChI=1S/C27H27ClFN5O3/c1-20-24(6-3-9-32-37-15-12-34-10-13-35-14-11-34)27(31-19-30-20)33-23-7-8-26(25(28)17-23)36-18-21-4-2-5-22(29)16-21/h2,4-5,7-9,16-17,19H,10-15,18H2,1H3,(H,30,31,33)/b32-9+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of EGFR by homogeneous time-resolved fluorescence assay |
Bioorg Med Chem Lett 21: 1601-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.119
BindingDB Entry DOI: 10.7270/Q2RX9CCN |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50360458
(CHEMBL1934624)Show SMILES Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#Cc1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C31H28ClFN4O/c1-22-28(13-11-23-7-9-24(10-8-23)19-37-15-2-3-16-37)31(35-21-34-22)36-27-12-14-30(29(32)18-27)38-20-25-5-4-6-26(33)17-25/h4-10,12,14,17-18,21H,2-3,15-16,19-20H2,1H3,(H,34,35,36) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Her-2 by time-resolved fluorescence assay |
Bioorg Med Chem Lett 22: 456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.103
BindingDB Entry DOI: 10.7270/Q2NV9JP4 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50360459
(CHEMBL1934625)Show SMILES CN(C)Cc1ccc(cc1)C#Cc1c(C)ncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C29H26ClFN4O/c1-20-26(13-11-21-7-9-22(10-8-21)17-35(2)3)29(33-19-32-20)34-25-12-14-28(27(30)16-25)36-18-23-5-4-6-24(31)15-23/h4-10,12,14-16,19H,17-18H2,1-3H3,(H,32,33,34) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Her-2 by time-resolved fluorescence assay |
Bioorg Med Chem Lett 22: 456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.103
BindingDB Entry DOI: 10.7270/Q2NV9JP4 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50360463
(CHEMBL1933083)Show SMILES CN(C)Cc1cccc(c1)C#Cc1c(C)ncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C29H26ClFN4O/c1-20-26(12-10-21-6-4-7-22(14-21)17-35(2)3)29(33-19-32-20)34-25-11-13-28(27(30)16-25)36-18-23-8-5-9-24(31)15-23/h4-9,11,13-16,19H,17-18H2,1-3H3,(H,32,33,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of EGFR phosphorylation in EGF-stimulated human A431 after 2 hrs by Western blot analysis |
Bioorg Med Chem Lett 22: 456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.103
BindingDB Entry DOI: 10.7270/Q2NV9JP4 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50360453
(CHEMBL1934626)Show SMILES Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#Cc1ccc(CN2CCCC2)c(F)c1 Show InChI InChI=1S/C31H27ClF2N4O/c1-21-27(11-8-22-7-9-24(29(34)16-22)18-38-13-2-3-14-38)31(36-20-35-21)37-26-10-12-30(28(32)17-26)39-19-23-5-4-6-25(33)15-23/h4-7,9-10,12,15-17,20H,2-3,13-14,18-19H2,1H3,(H,35,36,37) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Her-2 by time-resolved fluorescence assay |
Bioorg Med Chem Lett 22: 456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.103
BindingDB Entry DOI: 10.7270/Q2NV9JP4 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50338613
(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-6-me...)Show SMILES Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1\C=N\OCCCN1CCOCC1 Show InChI InChI=1S/C26H29ClFN5O3/c1-19-23(16-31-36-11-3-8-33-9-12-34-13-10-33)26(30-18-29-19)32-22-6-7-25(24(27)15-22)35-17-20-4-2-5-21(28)14-20/h2,4-7,14-16,18H,3,8-13,17H2,1H3,(H,29,30,32)/b31-16+ | PDB
MMDB
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UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of EGFR by homogeneous time-resolved fluorescence assay |
Bioorg Med Chem Lett 21: 1601-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.119
BindingDB Entry DOI: 10.7270/Q2RX9CCN |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50338612
(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-6-me...)Show SMILES Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1\C=N\OCCN1CCOCC1 Show InChI InChI=1S/C25H27ClFN5O3/c1-18-22(15-30-35-12-9-32-7-10-33-11-8-32)25(29-17-28-18)31-21-5-6-24(23(26)14-21)34-16-19-3-2-4-20(27)13-19/h2-6,13-15,17H,7-12,16H2,1H3,(H,28,29,31)/b30-15+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of EGFR by homogeneous time-resolved fluorescence assay |
Bioorg Med Chem Lett 21: 1601-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.119
BindingDB Entry DOI: 10.7270/Q2RX9CCN |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50338598
(3-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-6...)Show SMILES Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#C\C=N\OCCN1CCOCC1 Show InChI InChI=1S/C27H27ClFN5O3/c1-20-24(6-3-9-32-37-15-12-34-10-13-35-14-11-34)27(31-19-30-20)33-23-7-8-26(25(28)17-23)36-18-21-4-2-5-22(29)16-21/h2,4-5,7-9,16-17,19H,10-15,18H2,1H3,(H,30,31,33)/b32-9+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HER2 by homogeneous time-resolved fluorescence assay |
Bioorg Med Chem Lett 21: 1601-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.119
BindingDB Entry DOI: 10.7270/Q2RX9CCN |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50338594
(3-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-6...)Show SMILES Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1\C=C(/F)C(=O)NCCS(C)(=O)=O Show InChI InChI=1S/C24H23ClF2N4O4S/c1-15-19(12-21(27)24(32)28-8-9-36(2,33)34)23(30-14-29-15)31-18-6-7-22(20(25)11-18)35-13-16-4-3-5-17(26)10-16/h3-7,10-12,14H,8-9,13H2,1-2H3,(H,28,32)(H,29,30,31)/b21-12- | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HER2 by homogeneous time-resolved fluorescence assay |
Bioorg Med Chem Lett 21: 1601-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.119
BindingDB Entry DOI: 10.7270/Q2RX9CCN |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50360463
(CHEMBL1933083)Show SMILES CN(C)Cc1cccc(c1)C#Cc1c(C)ncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C29H26ClFN4O/c1-20-26(12-10-21-6-4-7-22(14-21)17-35(2)3)29(33-19-32-20)34-25-11-13-28(27(30)16-25)36-18-23-8-5-9-24(31)15-23/h4-9,11,13-16,19H,17-18H2,1-3H3,(H,32,33,34) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Her-2 by time-resolved fluorescence assay |
Bioorg Med Chem Lett 22: 456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.103
BindingDB Entry DOI: 10.7270/Q2NV9JP4 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50338596
(CHEMBL1683970 | N-(3-chloro-4-(3-fluorobenzyloxy)p...)Show SMILES Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#CCCN1CCOCC1 Show InChI InChI=1S/C26H26ClFN4O2/c1-19-23(7-2-3-10-32-11-13-33-14-12-32)26(30-18-29-19)31-22-8-9-25(24(27)16-22)34-17-20-5-4-6-21(28)15-20/h4-6,8-9,15-16,18H,3,10-14,17H2,1H3,(H,29,30,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HER2 by homogeneous time-resolved fluorescence assay |
Bioorg Med Chem Lett 21: 1601-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.119
BindingDB Entry DOI: 10.7270/Q2RX9CCN |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50360462
(CHEMBL1934629)Show SMILES Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#Cc1ncc(CN2CCCC2)s1 Show InChI InChI=1S/C28H25ClFN5OS/c1-19-24(8-10-27-31-15-23(37-27)16-35-11-2-3-12-35)28(33-18-32-19)34-22-7-9-26(25(29)14-22)36-17-20-5-4-6-21(30)13-20/h4-7,9,13-15,18H,2-3,11-12,16-17H2,1H3,(H,32,33,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of EGFR phosphorylation in EGF-stimulated human A431 after 2 hrs by Western blot analysis |
Bioorg Med Chem Lett 22: 456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.103
BindingDB Entry DOI: 10.7270/Q2NV9JP4 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50338591
(3-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-6...)Show SMILES Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1\C=C(/F)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C27H28ClF2N5O3/c1-18-22(15-24(30)27(36)31-7-8-35-9-11-37-12-10-35)26(33-17-32-18)34-21-5-6-25(23(28)14-21)38-16-19-3-2-4-20(29)13-19/h2-6,13-15,17H,7-12,16H2,1H3,(H,31,36)(H,32,33,34)/b24-15- | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HER2 by homogeneous time-resolved fluorescence assay |
Bioorg Med Chem Lett 21: 1601-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.119
BindingDB Entry DOI: 10.7270/Q2RX9CCN |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50360460
(CHEMBL1934627)Show SMILES Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#Cc1ccc(CN2CCCC2)o1 Show InChI InChI=1S/C29H26ClFN4O2/c1-20-26(11-10-24-8-9-25(37-24)17-35-13-2-3-14-35)29(33-19-32-20)34-23-7-12-28(27(30)16-23)36-18-21-5-4-6-22(31)15-21/h4-9,12,15-16,19H,2-3,13-14,17-18H2,1H3,(H,32,33,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of EGFR phosphorylation in EGF-stimulated human A431 after 2 hrs by Western blot analysis |
Bioorg Med Chem Lett 22: 456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.103
BindingDB Entry DOI: 10.7270/Q2NV9JP4 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50338589
(3-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-6...)Show SMILES C\C(=C/c1c(C)ncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C28H31ClFN5O3/c1-19(28(36)31-8-9-35-10-12-37-13-11-35)14-24-20(2)32-18-33-27(24)34-23-6-7-26(25(29)16-23)38-17-21-4-3-5-22(30)15-21/h3-7,14-16,18H,8-13,17H2,1-2H3,(H,31,36)(H,32,33,34)/b19-14+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HER2 by homogeneous time-resolved fluorescence assay |
Bioorg Med Chem Lett 21: 1601-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.119
BindingDB Entry DOI: 10.7270/Q2RX9CCN |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50360464
(CHEMBL1934630)Show SMILES CC(C)NCc1ccc(OCC#Cc2c(C)ncnc2Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1 Show InChI InChI=1S/C31H30ClFN4O2/c1-21(2)34-18-23-9-12-27(13-10-23)38-15-5-8-28-22(3)35-20-36-31(28)37-26-11-14-30(29(32)17-26)39-19-24-6-4-7-25(33)16-24/h4,6-7,9-14,16-17,20-21,34H,15,18-19H2,1-3H3,(H,35,36,37) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of EGFR phosphorylation in EGF-stimulated human A431 after 2 hrs by Western blot analysis |
Bioorg Med Chem Lett 22: 456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.103
BindingDB Entry DOI: 10.7270/Q2NV9JP4 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50360467
(CHEMBL1934633)Show SMILES Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1\C=C\c1ccc(CNC2CC2)cc1 Show InChI InChI=1S/C30H28ClFN4O/c1-20-27(13-9-21-5-7-22(8-6-21)17-33-25-10-11-25)30(35-19-34-20)36-26-12-14-29(28(31)16-26)37-18-23-3-2-4-24(32)15-23/h2-9,12-16,19,25,33H,10-11,17-18H2,1H3,(H,34,35,36)/b13-9+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Her-2 by time-resolved fluorescence assay |
Bioorg Med Chem Lett 22: 456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.103
BindingDB Entry DOI: 10.7270/Q2NV9JP4 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50360465
(CHEMBL1934631)Show SMILES Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1\C=C\c1ccc(CNCCS(C)(=O)=O)cc1 Show InChI InChI=1S/C30H30ClFN4O3S/c1-21-27(12-10-22-6-8-23(9-7-22)18-33-14-15-40(2,37)38)30(35-20-34-21)36-26-11-13-29(28(31)17-26)39-19-24-4-3-5-25(32)16-24/h3-13,16-17,20,33H,14-15,18-19H2,1-2H3,(H,34,35,36)/b12-10+ | PDB
MMDB
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UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of EGFR phosphorylation in EGF-stimulated human A431 after 2 hrs by Western blot analysis |
Bioorg Med Chem Lett 22: 456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.103
BindingDB Entry DOI: 10.7270/Q2NV9JP4 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50338599
(CHEMBL1683973 | N-(3-chloro-4-(3-fluorobenzyloxy)p...)Show SMILES Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#CCCCN1CCCC1 Show InChI InChI=1S/C27H28ClFN4O/c1-20-24(10-3-2-4-13-33-14-5-6-15-33)27(31-19-30-20)32-23-11-12-26(25(28)17-23)34-18-21-8-7-9-22(29)16-21/h7-9,11-12,16-17,19H,2,4-6,13-15,18H2,1H3,(H,30,31,32) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HER2 by homogeneous time-resolved fluorescence assay |
Bioorg Med Chem Lett 21: 1601-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.119
BindingDB Entry DOI: 10.7270/Q2RX9CCN |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50360467
(CHEMBL1934633)Show SMILES Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1\C=C\c1ccc(CNC2CC2)cc1 Show InChI InChI=1S/C30H28ClFN4O/c1-20-27(13-9-21-5-7-22(8-6-21)17-33-25-10-11-25)30(35-19-34-20)36-26-12-14-29(28(31)16-26)37-18-23-3-2-4-24(32)15-23/h2-9,12-16,19,25,33H,10-11,17-18H2,1H3,(H,34,35,36)/b13-9+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of EGFR phosphorylation in EGF-stimulated human A431 after 2 hrs by Western blot analysis |
Bioorg Med Chem Lett 22: 456-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.103
BindingDB Entry DOI: 10.7270/Q2NV9JP4 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50338595
(3-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-6...)Show SMILES CCN1CCN(CC1)C(=O)C(\F)=C\c1c(C)ncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C27H28ClF2N5O2/c1-3-34-9-11-35(12-10-34)27(36)24(30)15-22-18(2)31-17-32-26(22)33-21-7-8-25(23(28)14-21)37-16-19-5-4-6-20(29)13-19/h4-8,13-15,17H,3,9-12,16H2,1-2H3,(H,31,32,33)/b24-15- | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 102 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HER2 by homogeneous time-resolved fluorescence assay |
Bioorg Med Chem Lett 21: 1601-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.119
BindingDB Entry DOI: 10.7270/Q2RX9CCN |
More data for this
Ligand-Target Pair | |
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