Found 50 hits with Last Name = 'gauthier' and Initial = 'ca' 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 |
|---|
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
MMDB
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| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB2 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
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
MMDB
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CHEMBL
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MCE
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| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB1 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50189123
((4-benzyloxy-3-chloro-phenyl)-{6-[5-(1-oxo-1lambda...)Show SMILES Clc1cc(Nc2ncnc3ccc(cc23)-c2ccc(CN3CCS(=O)CC3)o2)ccc1OCc1ccccc1 Show InChI InChI=1S/C30H27ClN4O3S/c31-26-17-23(7-10-29(26)37-19-21-4-2-1-3-5-21)34-30-25-16-22(6-9-27(25)32-20-33-30)28-11-8-24(38-28)18-35-12-14-39(36)15-13-35/h1-11,16-17,20H,12-15,18-19H2,(H,32,33,34) | PDB
MMDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB1 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50189113
((4-benzyloxy-3-fluoro-phenyl)-{6-[5-(1-oxo-1lambda...)Show SMILES Fc1cc(Nc2ncnc3ccc(cc23)-c2ccc(CN3CCS(=O)CC3)o2)ccc1OCc1ccccc1 Show InChI InChI=1S/C30H27FN4O3S/c31-26-17-23(7-10-29(26)37-19-21-4-2-1-3-5-21)34-30-25-16-22(6-9-27(25)32-20-33-30)28-11-8-24(38-28)18-35-12-14-39(36)15-13-35/h1-11,16-17,20H,12-15,18-19H2,(H,32,33,34) | PDB
MMDB
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB1 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50189107
(CHEMBL215171 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)Show SMILES CS(=O)(=O)CCOCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H25ClFN3O5S/c1-40(35,36)12-11-37-17-23-7-10-27(39-23)20-5-8-26-24(14-20)29(33-18-32-26)34-22-6-9-28(25(30)15-22)38-16-19-3-2-4-21(31)13-19/h2-10,13-15,18H,11-12,16-17H2,1H3,(H,32,33,34) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB2 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50189114
(CHEMBL265367 | N-(4-(3-fluorobenzyloxy)-3-(trifluo...)Show SMILES Cn1ccnc1S(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(c3)C(F)(F)F)c2c1 Show InChI InChI=1S/C33H28F4N6O4S/c1-43-13-11-39-32(43)48(44,45)14-12-38-18-25-7-10-29(47-25)22-5-8-28-26(16-22)31(41-20-40-28)42-24-6-9-30(27(17-24)33(35,36)37)46-19-21-3-2-4-23(34)15-21/h2-11,13,15-17,20,38H,12,14,18-19H2,1H3,(H,40,41,42) | PDB
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PC cid
PC sid
UniChem
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB1 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50189109
(CHEMBL212954 | [3-chloro-4-(3-fluoro-benzyloxy)-ph...)Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(cc34)-c3ccc(CN4CCS(=O)CC4)o3)cc2Cl)c1 Show InChI InChI=1S/C30H26ClFN4O3S/c31-26-16-23(5-8-29(26)38-18-20-2-1-3-22(32)14-20)35-30-25-15-21(4-7-27(25)33-19-34-30)28-9-6-24(39-28)17-36-10-12-40(37)13-11-36/h1-9,14-16,19H,10-13,17-18H2,(H,33,34,35) | 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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB2 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50189126
(CHEMBL214487 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)Show SMILES CC(C)S(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C31H30ClFN4O4S/c1-20(2)42(38,39)13-12-34-17-25-8-11-29(41-25)22-6-9-28-26(15-22)31(36-19-35-28)37-24-7-10-30(27(32)16-24)40-18-21-4-3-5-23(33)14-21/h3-11,14-16,19-20,34H,12-13,17-18H2,1-2H3,(H,35,36,37) | PDB
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GoogleScholar
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB1 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50189108
(CHEMBL380247 | GW574783B | N-(4-(benzyloxy)-3-chlo...)Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H27ClN4O4S/c1-39(35,36)14-13-31-17-23-9-12-27(38-23)21-7-10-26-24(15-21)29(33-19-32-26)34-22-8-11-28(25(30)16-22)37-18-20-5-3-2-4-6-20/h2-12,15-16,19,31H,13-14,17-18H2,1H3,(H,32,33,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB1 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50370758
(CHEMBL1794063)Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(cc34)-c3ccc(CNCCS(=O)(=O)c4ccccc4)o3)cc2Cl)c1 Show InChI InChI=1S/C34H28ClFN4O4S/c35-30-19-26(10-13-33(30)43-21-23-5-4-6-25(36)17-23)40-34-29-18-24(9-12-31(29)38-22-39-34)32-14-11-27(44-32)20-37-15-16-45(41,42)28-7-2-1-3-8-28/h1-14,17-19,22,37H,15-16,20-21H2,(H,38,39,40) | PDB
MMDB
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PC cid
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UniChem
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB1 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50189121
(CHEMBL214023 | N-(4-(3-fluorobenzyloxy)-3-(trifluo...)Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(cc34)-c3ccc(CNCCS(=O)(=O)c4ccccn4)o3)cc2C(F)(F)F)c1 Show InChI InChI=1S/C34H27F4N5O4S/c35-24-5-3-4-22(16-24)20-46-31-11-8-25(18-28(31)34(36,37)38)43-33-27-17-23(7-10-29(27)41-21-42-33)30-12-9-26(47-30)19-39-14-15-48(44,45)32-6-1-2-13-40-32/h1-13,16-18,21,39H,14-15,19-20H2,(H,41,42,43) | PDB
MMDB
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PC cid
PC sid
UniChem
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| Article
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB1 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50189127
(CHEMBL212251 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)Show SMILES CCCN(CCS(C)(=O)=O)Cc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C32H32ClFN4O4S/c1-3-13-38(14-15-43(2,39)40)19-26-9-12-30(42-26)23-7-10-29-27(17-23)32(36-21-35-29)37-25-8-11-31(28(33)18-25)41-20-22-5-4-6-24(34)16-22/h4-12,16-18,21H,3,13-15,19-20H2,1-2H3,(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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB2 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50189112
(CHEMBL383965 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)Show SMILES CCCS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C31H30ClFN4O4S/c1-2-13-42(38,39)14-12-34-18-25-8-11-29(41-25)22-6-9-28-26(16-22)31(36-20-35-28)37-24-7-10-30(27(32)17-24)40-19-21-4-3-5-23(33)15-21/h3-11,15-17,20,34H,2,12-14,18-19H2,1H3,(H,35,36,37) | PDB
MMDB
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB1 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50189108
(CHEMBL380247 | GW574783B | N-(4-(benzyloxy)-3-chlo...)Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H27ClN4O4S/c1-39(35,36)14-13-31-17-23-9-12-27(38-23)21-7-10-26-24(15-21)29(33-19-32-26)34-22-8-11-28(25(30)16-22)37-18-20-5-3-2-4-6-20/h2-12,15-16,19,31H,13-14,17-18H2,1H3,(H,32,33,34) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB2 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50189117
(2-(((5-(4-(4-(3-fluorobenzyloxy)-3-chlorophenylami...)Show SMILES CS(=O)(=O)CCN(CC#N)Cc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C31H27ClFN5O4S/c1-43(39,40)14-13-38(12-11-34)18-25-7-10-29(42-25)22-5-8-28-26(16-22)31(36-20-35-28)37-24-6-9-30(27(32)17-24)41-19-21-3-2-4-23(33)15-21/h2-10,15-17,20H,12-14,18-19H2,1H3,(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 | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB2 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50189123
((4-benzyloxy-3-chloro-phenyl)-{6-[5-(1-oxo-1lambda...)Show SMILES Clc1cc(Nc2ncnc3ccc(cc23)-c2ccc(CN3CCS(=O)CC3)o2)ccc1OCc1ccccc1 Show InChI InChI=1S/C30H27ClN4O3S/c31-26-17-23(7-10-29(26)37-19-21-4-2-1-3-5-21)34-30-25-16-22(6-9-27(25)32-20-33-30)28-11-8-24(38-28)18-35-12-14-39(36)15-13-35/h1-11,16-17,20H,12-15,18-19H2,(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 | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB2 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50189124
(CHEMBL213818 | N-(4-(3-fluorobenzyloxy)phenyl)-6-(...)Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)cc3)c2c1 Show InChI InChI=1S/C29H27FN4O4S/c1-39(35,36)14-13-31-17-25-10-12-28(38-25)21-5-11-27-26(16-21)29(33-19-32-27)34-23-6-8-24(9-7-23)37-18-20-3-2-4-22(30)15-20/h2-12,15-16,19,31H,13-14,17-18H2,1H3,(H,32,33,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
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antibodypedia
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB1 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50189126
(CHEMBL214487 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)Show SMILES CC(C)S(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C31H30ClFN4O4S/c1-20(2)42(38,39)13-12-34-17-25-8-11-29(41-25)22-6-9-28-26(15-22)31(36-19-35-28)37-24-7-10-30(27(32)16-24)40-18-21-4-3-5-23(33)14-21/h3-11,14-16,19-20,34H,12-13,17-18H2,1-2H3,(H,35,36,37) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC sid
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| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB2 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50189105
(CHEMBL214689 | N-(4-(benzyloxy)-3-bromophenyl)-6-(...)Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)c(Br)c3)c2c1 Show InChI InChI=1S/C29H27BrN4O4S/c1-39(35,36)14-13-31-17-23-9-12-27(38-23)21-7-10-26-24(15-21)29(33-19-32-26)34-22-8-11-28(25(30)16-22)37-18-20-5-3-2-4-6-20/h2-12,15-16,19,31H,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
Patents
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| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB1 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50189105
(CHEMBL214689 | N-(4-(benzyloxy)-3-bromophenyl)-6-(...)Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)c(Br)c3)c2c1 Show InChI InChI=1S/C29H27BrN4O4S/c1-39(35,36)14-13-31-17-23-9-12-27(38-23)21-7-10-26-24(15-21)29(33-19-32-26)34-22-8-11-28(25(30)16-22)37-18-20-5-3-2-4-6-20/h2-12,15-16,19,31H,13-14,17-18H2,1H3,(H,32,33,34) | 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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB2 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50189128
(CHEMBL212250 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(cc34)-c3ccc(COCCS(=O)(=O)c4ccccc4)o3)cc2Cl)c1 Show InChI InChI=1S/C34H27ClFN3O5S/c35-30-19-26(10-13-33(30)43-20-23-5-4-6-25(36)17-23)39-34-29-18-24(9-12-31(29)37-22-38-34)32-14-11-27(44-32)21-42-15-16-45(40,41)28-7-2-1-3-8-28/h1-14,17-19,22H,15-16,20-21H2,(H,37,38,39) | PDB
MMDB
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UniProtKB/SwissProt
B.MOAD
DrugBank
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GoogleScholar
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB1 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50189116
(CHEMBL213342 | N-(4-(benzyloxy)phenyl)-6-(5-((2-(m...)Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1 Show InChI InChI=1S/C29H28N4O4S/c1-38(34,35)16-15-30-18-25-12-14-28(37-25)22-7-13-27-26(17-22)29(32-20-31-27)33-23-8-10-24(11-9-23)36-19-21-5-3-2-4-6-21/h2-14,17,20,30H,15-16,18-19H2,1H3,(H,31,32,33) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB2 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50189112
(CHEMBL383965 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)Show SMILES CCCS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C31H30ClFN4O4S/c1-2-13-42(38,39)14-12-34-18-25-8-11-29(41-25)22-6-9-28-26(16-22)31(36-20-35-28)37-24-7-10-30(27(32)17-24)40-19-21-4-3-5-23(33)15-21/h3-11,15-17,20,34H,2,12-14,18-19H2,1H3,(H,35,36,37) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB2 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50189107
(CHEMBL215171 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)Show SMILES CS(=O)(=O)CCOCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H25ClFN3O5S/c1-40(35,36)12-11-37-17-23-7-10-27(39-23)20-5-8-26-24(14-20)29(33-18-32-26)34-22-6-9-28(25(30)15-22)38-16-19-3-2-4-21(31)13-19/h2-10,13-15,18H,11-12,16-17H2,1H3,(H,32,33,34) | PDB
MMDB
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UniProtKB/SwissProt
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DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB1 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50189114
(CHEMBL265367 | N-(4-(3-fluorobenzyloxy)-3-(trifluo...)Show SMILES Cn1ccnc1S(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(c3)C(F)(F)F)c2c1 Show InChI InChI=1S/C33H28F4N6O4S/c1-43-13-11-39-32(43)48(44,45)14-12-38-18-25-7-10-29(47-25)22-5-8-28-26(16-22)31(41-20-40-28)42-24-6-9-30(27(17-24)33(35,36)37)46-19-21-3-2-4-23(34)15-21/h2-11,13,15-17,20,38H,12,14,18-19H2,1H3,(H,40,41,42) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB2 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50189116
(CHEMBL213342 | N-(4-(benzyloxy)phenyl)-6-(5-((2-(m...)Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1 Show InChI InChI=1S/C29H28N4O4S/c1-38(34,35)16-15-30-18-25-12-14-28(37-25)22-7-13-27-26(17-22)29(32-20-31-27)33-23-8-10-24(11-9-23)36-19-21-5-3-2-4-6-21/h2-14,17,20,30H,15-16,18-19H2,1H3,(H,31,32,33) | PDB
MMDB
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UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB1 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50189117
(2-(((5-(4-(4-(3-fluorobenzyloxy)-3-chlorophenylami...)Show SMILES CS(=O)(=O)CCN(CC#N)Cc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C31H27ClFN5O4S/c1-43(39,40)14-13-38(12-11-34)18-25-7-10-29(42-25)22-5-8-28-26(16-22)31(36-20-35-28)37-24-6-9-30(27(32)17-24)41-19-21-3-2-4-23(33)15-21/h2-10,15-17,20H,12-14,18-19H2,1H3,(H,35,36,37) | PDB
MMDB
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UniProtKB/SwissProt
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| CHEMBL
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| Article
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| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB1 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50189109
(CHEMBL212954 | [3-chloro-4-(3-fluoro-benzyloxy)-ph...)Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(cc34)-c3ccc(CN4CCS(=O)CC4)o3)cc2Cl)c1 Show InChI InChI=1S/C30H26ClFN4O3S/c31-26-16-23(5-8-29(26)38-18-20-2-1-3-22(32)14-20)35-30-25-15-21(4-7-27(25)33-19-34-30)28-9-6-24(39-28)17-36-10-12-40(37)13-11-36/h1-9,14-16,19H,10-13,17-18H2,(H,33,34,35) | PDB
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| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB1 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50189128
(CHEMBL212250 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(cc34)-c3ccc(COCCS(=O)(=O)c4ccccc4)o3)cc2Cl)c1 Show InChI InChI=1S/C34H27ClFN3O5S/c35-30-19-26(10-13-33(30)43-20-23-5-4-6-25(36)17-23)39-34-29-18-24(9-12-31(29)37-22-38-34)32-14-11-27(44-32)21-42-15-16-45(40,41)28-7-2-1-3-8-28/h1-14,17-19,22H,15-16,20-21H2,(H,37,38,39) | PDB
MMDB
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B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
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PC sid
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| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB2 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50189121
(CHEMBL214023 | N-(4-(3-fluorobenzyloxy)-3-(trifluo...)Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(cc34)-c3ccc(CNCCS(=O)(=O)c4ccccn4)o3)cc2C(F)(F)F)c1 Show InChI InChI=1S/C34H27F4N5O4S/c35-24-5-3-4-22(16-24)20-46-31-11-8-25(18-28(31)34(36,37)38)43-33-27-17-23(7-10-29(27)41-21-42-33)30-12-9-26(47-30)19-39-14-15-48(44,45)32-6-1-2-13-40-32/h1-13,16-18,21,39H,14-15,19-20H2,(H,41,42,43) | PDB
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DrugBank
antibodypedia
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Similars
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB2 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50370758
(CHEMBL1794063)Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(cc34)-c3ccc(CNCCS(=O)(=O)c4ccccc4)o3)cc2Cl)c1 Show InChI InChI=1S/C34H28ClFN4O4S/c35-30-19-26(10-13-33(30)43-21-23-5-4-6-25(36)17-23)40-34-29-18-24(9-12-31(29)38-22-39-34)32-14-11-27(44-32)20-37-15-16-45(41,42)28-7-2-1-3-8-28/h1-14,17-19,22,37H,15-16,20-21H2,(H,38,39,40) | PDB
MMDB
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
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Similars
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB2 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50189124
(CHEMBL213818 | N-(4-(3-fluorobenzyloxy)phenyl)-6-(...)Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)cc3)c2c1 Show InChI InChI=1S/C29H27FN4O4S/c1-39(35,36)14-13-31-17-25-10-12-28(38-25)21-5-11-27-26(16-21)29(33-19-32-27)34-23-6-8-24(9-7-23)37-18-20-3-2-4-22(30)15-20/h2-12,15-16,19,31H,13-14,17-18H2,1H3,(H,32,33,34) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB2 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50189113
((4-benzyloxy-3-fluoro-phenyl)-{6-[5-(1-oxo-1lambda...)Show SMILES Fc1cc(Nc2ncnc3ccc(cc23)-c2ccc(CN3CCS(=O)CC3)o2)ccc1OCc1ccccc1 Show InChI InChI=1S/C30H27FN4O3S/c31-26-17-23(7-10-29(26)37-19-21-4-2-1-3-5-21)34-30-25-16-22(6-9-27(25)32-20-33-30)28-11-8-24(38-28)18-35-12-14-39(36)15-13-35/h1-11,16-17,20H,12-15,18-19H2,(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 | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB2 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50189111
(CHEMBL212201 | N-(4-(benzyloxy)-3-chlorophenyl)-6-...)Show SMILES Clc1cc(Nc2ncnc3ccc(cc23)-c2ccc(CNCCCCS(=O)(=O)c3ccccc3)o2)ccc1OCc1ccccc1 Show InChI InChI=1S/C36H33ClN4O4S/c37-32-22-28(14-17-35(32)44-24-26-9-3-1-4-10-26)41-36-31-21-27(13-16-33(31)39-25-40-36)34-18-15-29(45-34)23-38-19-7-8-20-46(42,43)30-11-5-2-6-12-30/h1-6,9-18,21-22,25,38H,7-8,19-20,23-24H2,(H,39,40,41) | PDB
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antibodypedia
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| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB2 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50189118
(CHEMBL384711 | N-(4-(3-bromobenzyloxy)phenyl)-6-(5...)Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(Br)c4)cc3)c2c1 Show InChI InChI=1S/C29H27BrN4O4S/c1-39(35,36)14-13-31-17-25-10-12-28(38-25)21-5-11-27-26(16-21)29(33-19-32-27)34-23-6-8-24(9-7-23)37-18-20-3-2-4-22(30)15-20/h2-12,15-16,19,31H,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
Patents
Similars
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB1 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50189111
(CHEMBL212201 | N-(4-(benzyloxy)-3-chlorophenyl)-6-...)Show SMILES Clc1cc(Nc2ncnc3ccc(cc23)-c2ccc(CNCCCCS(=O)(=O)c3ccccc3)o2)ccc1OCc1ccccc1 Show InChI InChI=1S/C36H33ClN4O4S/c37-32-22-28(14-17-35(32)44-24-26-9-3-1-4-10-26)41-36-31-21-27(13-16-33(31)39-25-40-36)34-18-15-29(45-34)23-38-19-7-8-20-46(42,43)30-11-5-2-6-12-30/h1-6,9-18,21-22,25,38H,7-8,19-20,23-24H2,(H,39,40,41) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB1 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50189120
(CHEMBL215814 | N-(4-(3-fluorobenzyloxy)-3-(trifluo...)Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(c3)C(F)(F)F)c2c1 Show InChI InChI=1S/C30H26F4N4O4S/c1-43(39,40)12-11-35-16-23-7-10-27(42-23)20-5-8-26-24(14-20)29(37-18-36-26)38-22-6-9-28(25(15-22)30(32,33)34)41-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,35H,11-12,16-17H2,1H3,(H,36,37,38) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB1 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50189127
(CHEMBL212251 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)Show SMILES CCCN(CCS(C)(=O)=O)Cc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C32H32ClFN4O4S/c1-3-13-38(14-15-43(2,39)40)19-26-9-12-30(42-26)23-7-10-29-27(17-23)32(36-21-35-29)37-25-8-11-31(28(33)18-25)41-20-22-5-4-6-24(34)16-22/h4-12,16-18,21H,3,13-15,19-20H2,1-2H3,(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 | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB1 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50189122
(CHEMBL377250 | [4-(3-fluoro-benzyloxy)-3-trifluoro...)Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(cc34)-c3ccc(CN4CCS(=O)CC4)o3)cc2C(F)(F)F)c1 Show InChI InChI=1S/C31H26F4N4O3S/c32-22-3-1-2-20(14-22)18-41-29-8-5-23(16-26(29)31(33,34)35)38-30-25-15-21(4-7-27(25)36-19-37-30)28-9-6-24(42-28)17-39-10-12-43(40)13-11-39/h1-9,14-16,19H,10-13,17-18H2,(H,36,37,38) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB1 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50189106
(CHEMBL445572 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)Show SMILES CS(=O)(=O)CCN(Cc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1)Cc1ccccc1 Show InChI InChI=1S/C36H32ClFN4O4S/c1-47(43,44)17-16-42(21-25-6-3-2-4-7-25)22-30-12-15-34(46-30)27-10-13-33-31(19-27)36(40-24-39-33)41-29-11-14-35(32(37)20-29)45-23-26-8-5-9-28(38)18-26/h2-15,18-20,24H,16-17,21-23H2,1H3,(H,39,40,41) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB1 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50189110
(CHEMBL215033 | N-(4-(3-fluorobenzyloxy)-3-methoxyp...)Show SMILES COc1cc(Nc2ncnc3ccc(cc23)-c2ccc(CNCCS(C)(=O)=O)o2)ccc1OCc1cccc(F)c1 Show InChI InChI=1S/C30H29FN4O5S/c1-38-29-16-23(7-10-28(29)39-18-20-4-3-5-22(31)14-20)35-30-25-15-21(6-9-26(25)33-19-34-30)27-11-8-24(40-27)17-32-12-13-41(2,36)37/h3-11,14-16,19,32H,12-13,17-18H2,1-2H3,(H,33,34,35) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB2 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50189125
(CHEMBL214419 | N-(4-(3-(trifluoromethyl)benzyloxy)...)Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(c4)C(F)(F)F)cc3)c2c1 Show InChI InChI=1S/C30H27F3N4O4S/c1-42(38,39)14-13-34-17-25-10-12-28(41-25)21-5-11-27-26(16-21)29(36-19-35-27)37-23-6-8-24(9-7-23)40-18-20-3-2-4-22(15-20)30(31,32)33/h2-12,15-16,19,34H,13-14,17-18H2,1H3,(H,35,36,37) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB1 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50189110
(CHEMBL215033 | N-(4-(3-fluorobenzyloxy)-3-methoxyp...)Show SMILES COc1cc(Nc2ncnc3ccc(cc23)-c2ccc(CNCCS(C)(=O)=O)o2)ccc1OCc1cccc(F)c1 Show InChI InChI=1S/C30H29FN4O5S/c1-38-29-16-23(7-10-28(29)39-18-20-4-3-5-22(31)14-20)35-30-25-15-21(6-9-26(25)33-19-34-30)27-11-8-24(40-27)17-32-12-13-41(2,36)37/h3-11,14-16,19,32H,12-13,17-18H2,1-2H3,(H,33,34,35) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB1 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50189118
(CHEMBL384711 | N-(4-(3-bromobenzyloxy)phenyl)-6-(5...)Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(Br)c4)cc3)c2c1 Show InChI InChI=1S/C29H27BrN4O4S/c1-39(35,36)14-13-31-17-25-10-12-28(38-25)21-5-11-27-26(16-21)29(33-19-32-27)34-23-6-8-24(9-7-23)37-18-20-3-2-4-22(30)15-20/h2-12,15-16,19,31H,13-14,17-18H2,1H3,(H,32,33,34) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB2 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50189122
(CHEMBL377250 | [4-(3-fluoro-benzyloxy)-3-trifluoro...)Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(cc34)-c3ccc(CN4CCS(=O)CC4)o3)cc2C(F)(F)F)c1 Show InChI InChI=1S/C31H26F4N4O3S/c32-22-3-1-2-20(14-22)18-41-29-8-5-23(16-26(29)31(33,34)35)38-30-25-15-21(4-7-27(25)36-19-37-30)28-9-6-24(42-28)17-39-10-12-43(40)13-11-39/h1-9,14-16,19H,10-13,17-18H2,(H,36,37,38) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 141 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB2 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50189106
(CHEMBL445572 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)Show SMILES CS(=O)(=O)CCN(Cc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1)Cc1ccccc1 Show InChI InChI=1S/C36H32ClFN4O4S/c1-47(43,44)17-16-42(21-25-6-3-2-4-7-25)22-30-12-15-34(46-30)27-10-13-33-31(19-27)36(40-24-39-33)41-29-11-14-35(32(37)20-29)45-23-26-8-5-9-28(38)18-26/h2-15,18-20,24H,16-17,21-23H2,1H3,(H,39,40,41) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 141 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB2 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50189115
(CHEMBL387207 | N-(4-(benzyloxy)-3-(trifluoromethyl...)Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)c(c3)C(F)(F)F)c2c1 Show InChI InChI=1S/C30H27F3N4O4S/c1-42(38,39)14-13-34-17-23-9-12-27(41-23)21-7-10-26-24(15-21)29(36-19-35-26)37-22-8-11-28(25(16-22)30(31,32)33)40-18-20-5-3-2-4-6-20/h2-12,15-16,19,34H,13-14,17-18H2,1H3,(H,35,36,37) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB1 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50189115
(CHEMBL387207 | N-(4-(benzyloxy)-3-(trifluoromethyl...)Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)c(c3)C(F)(F)F)c2c1 Show InChI InChI=1S/C30H27F3N4O4S/c1-42(38,39)14-13-34-17-23-9-12-27(41-23)21-7-10-26-24(15-21)29(36-19-35-26)37-22-8-11-28(25(16-22)30(31,32)33)40-18-20-5-3-2-4-6-20/h2-12,15-16,19,34H,13-14,17-18H2,1H3,(H,35,36,37) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB2 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50189120
(CHEMBL215814 | N-(4-(3-fluorobenzyloxy)-3-(trifluo...)Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(c3)C(F)(F)F)c2c1 Show InChI InChI=1S/C30H26F4N4O4S/c1-43(39,40)12-11-35-16-23-7-10-27(42-23)20-5-8-26-24(14-20)29(37-18-36-26)38-22-6-9-28(25(15-22)30(32,33)34)41-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,35H,11-12,16-17H2,1H3,(H,36,37,38) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB2 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50189125
(CHEMBL214419 | N-(4-(3-(trifluoromethyl)benzyloxy)...)Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(c4)C(F)(F)F)cc3)c2c1 Show InChI InChI=1S/C30H27F3N4O4S/c1-42(38,39)14-13-34-17-25-10-12-28(41-25)21-5-11-27-26(16-21)29(36-19-35-27)37-23-6-8-24(9-7-23)40-18-20-3-2-4-22(15-20)30(31,32)33/h2-12,15-16,19,34H,13-14,17-18H2,1H3,(H,35,36,37) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of ErbB2 |
Bioorg Med Chem Lett 16: 4686-91 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.090
BindingDB Entry DOI: 10.7270/Q2VM4D2Z |
More data for this
Ligand-Target Pair | |
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