Found 52 hits of Enzyme Inhibition Constant Data 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)) | BDBM50182908
(1-((6-(2-(4-(4-(3-fluorobenzyloxy)-3-chlorophenyla...)Show SMILES CS(=O)(=O)CCNC(=O)NCc1cccc(n1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C29H26ClFN6O4S/c1-42(39,40)13-12-33-29(38)34-17-25-7-3-6-23(36-25)9-8-21-16-32-19-35-28(21)37-24-10-11-27(26(30)15-24)41-18-20-4-2-5-22(31)14-20/h2-7,10-11,14-16,19H,12-13,17-18H2,1H3,(H,32,35,37)(H2,33,34,38) | 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 | 9 | 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: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
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
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9 | 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: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
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
KEGG
UniProtKB/SwissProt
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CHEMBL
DrugBank
MCE
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PC cid
PC sid
PDB
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Similars
| DrugBank
MMDB
PDB
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 EGFR |
Bioorg Med Chem Lett 16: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50182900
(CHEMBL381604 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)Show SMILES Nc1nccc(n1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C23H16ClFN6O/c24-20-11-19(6-7-21(20)32-13-15-2-1-3-17(25)10-15)30-22-16(12-27-14-29-22)4-5-18-8-9-28-23(26)31-18/h1-3,6-12,14H,13H2,(H2,26,28,31)(H,27,29,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| 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 ErbB2 |
Bioorg Med Chem Lett 16: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50182891
(CHEMBL205798 | N-(3-(2-(4-(4-(3-fluorobenzyloxy)-3...)Show SMILES CC(=O)Nc1cccc(c1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C27H20ClFN4O2/c1-18(34)32-23-7-3-4-19(13-23)8-9-21-15-30-17-31-27(21)33-24-10-11-26(25(28)14-24)35-16-20-5-2-6-22(29)12-20/h2-7,10-15,17H,16H2,1H3,(H,32,34)(H,30,31,33) | PDB
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| CHEMBL
PC cid
PC sid
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| Article
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| 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 EGFR |
Bioorg Med Chem Lett 16: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50182893
((6-(2-(4-(4-(3-fluorobenzyloxy)-3-chlorophenylamin...)Show SMILES OCc1cccc(n1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C25H18ClFN4O2/c26-23-12-21(9-10-24(23)33-15-17-3-1-4-19(27)11-17)31-25-18(13-28-16-29-25)7-8-20-5-2-6-22(14-32)30-20/h1-6,9-13,16,32H,14-15H2,(H,28,29,31) | PDB
MMDB
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 13 | 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: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50182891
(CHEMBL205798 | N-(3-(2-(4-(4-(3-fluorobenzyloxy)-3...)Show SMILES CC(=O)Nc1cccc(c1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C27H20ClFN4O2/c1-18(34)32-23-7-3-4-19(13-23)8-9-21-15-30-17-31-27(21)33-24-10-11-26(25(28)14-24)35-16-20-5-2-6-22(29)12-20/h2-7,10-15,17H,16H2,1H3,(H,32,34)(H,30,31,33) | 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 | 13 | 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: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50182908
(1-((6-(2-(4-(4-(3-fluorobenzyloxy)-3-chlorophenyla...)Show SMILES CS(=O)(=O)CCNC(=O)NCc1cccc(n1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C29H26ClFN6O4S/c1-42(39,40)13-12-33-29(38)34-17-25-7-3-6-23(36-25)9-8-21-16-32-19-35-28(21)37-24-10-11-27(26(30)15-24)41-18-20-4-2-5-22(31)14-20/h2-7,10-11,14-16,19H,12-13,17-18H2,1H3,(H,32,35,37)(H2,33,34,38) | PDB
MMDB
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 16: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50182906
(CHEMBL205045 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)Show SMILES Fc1cccc(COc2ccc(Nc3ncncc3C#Cc3ccccn3)cc2Cl)c1 Show InChI InChI=1S/C24H16ClFN4O/c25-22-13-21(9-10-23(22)31-15-17-4-3-5-19(26)12-17)30-24-18(14-27-16-29-24)7-8-20-6-1-2-11-28-20/h1-6,9-14,16H,15H2,(H,27,29,30) | 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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 16: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50182892
(CHEMBL206003 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)Show SMILES NCc1cccc(n1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C25H19ClFN5O/c26-23-12-21(9-10-24(23)33-15-17-3-1-4-19(27)11-17)32-25-18(14-29-16-30-25)7-8-20-5-2-6-22(13-28)31-20/h1-6,9-12,14,16H,13,15,28H2,(H,29,30,32) | 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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 16: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50182895
(1-((6-(2-(4-(4-(3-fluorobenzyloxy)-3-chlorophenyla...)Show SMILES CNC(=O)NCc1cccc(n1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C27H22ClFN6O2/c1-30-27(36)32-15-23-7-3-6-21(34-23)9-8-19-14-31-17-33-26(19)35-22-10-11-25(24(28)13-22)37-16-18-4-2-5-20(29)12-18/h2-7,10-14,17H,15-16H2,1H3,(H2,30,32,36)(H,31,33,35) | PDB
MMDB
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| 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 EGFR |
Bioorg Med Chem Lett 16: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50182898
(CHEMBL206782 | methyl 5-(3-(2-(4-(4-(3-fluorobenzy...)Show SMILES COC(=O)CCCC(=O)Nc1cccc(c1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C31H26ClFN4O4/c1-40-30(39)10-4-9-29(38)36-25-8-3-5-21(16-25)11-12-23-18-34-20-35-31(23)37-26-13-14-28(27(32)17-26)41-19-22-6-2-7-24(33)15-22/h2-3,5-8,13-18,20H,4,9-10,19H2,1H3,(H,36,38)(H,34,35,37) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | 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: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50182910
(CHEMBL205966 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)Show SMILES Nc1ccc(cc1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C25H18ClFN4O/c26-23-13-22(10-11-24(23)32-15-18-2-1-3-20(27)12-18)31-25-19(14-29-16-30-25)7-4-17-5-8-21(28)9-6-17/h1-3,5-6,8-14,16H,15,28H2,(H,29,30,31) | 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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 16: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50182898
(CHEMBL206782 | methyl 5-(3-(2-(4-(4-(3-fluorobenzy...)Show SMILES COC(=O)CCCC(=O)Nc1cccc(c1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C31H26ClFN4O4/c1-40-30(39)10-4-9-29(38)36-25-8-3-5-21(16-25)11-12-23-18-34-20-35-31(23)37-26-13-14-28(27(32)17-26)41-19-22-6-2-7-24(33)15-22/h2-3,5-8,13-18,20H,4,9-10,19H2,1H3,(H,36,38)(H,34,35,37) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 16: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50182900
(CHEMBL381604 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)Show SMILES Nc1nccc(n1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C23H16ClFN6O/c24-20-11-19(6-7-21(20)32-13-15-2-1-3-17(25)10-15)30-22-16(12-27-14-29-22)4-5-18-8-9-28-23(26)31-18/h1-3,6-12,14H,13H2,(H2,26,28,31)(H,27,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 16: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50182912
(3-(2-(4-(4-(3-fluorobenzyloxy)-3-chlorophenylamino...)Show SMILES CNC(=O)c1cccc(c1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C27H20ClFN4O2/c1-30-27(34)20-6-2-4-18(12-20)8-9-21-15-31-17-32-26(21)33-23-10-11-25(24(28)14-23)35-16-19-5-3-7-22(29)13-19/h2-7,10-15,17H,16H2,1H3,(H,30,34)(H,31,32,33) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | 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: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50182907
(CHEMBL381080 | N-(3-(2-(4-(4-(3-fluorobenzyloxy)-3...)Show SMILES CS(=O)(=O)CCC(=O)Nc1cccc(c1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C29H24ClFN4O4S/c1-40(37,38)13-12-28(36)34-24-7-3-4-20(15-24)8-9-22-17-32-19-33-29(22)35-25-10-11-27(26(30)16-25)39-18-21-5-2-6-23(31)14-21/h2-7,10-11,14-17,19H,12-13,18H2,1H3,(H,34,36)(H,32,33,35) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | 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: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50182904
((5-(2-(4-(4-(3-fluorobenzyloxy)-3-chlorophenylamin...)Show SMILES OCc1ccc(o1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C24H17ClFN3O3/c25-22-11-19(5-9-23(22)31-14-16-2-1-3-18(26)10-16)29-24-17(12-27-15-28-24)4-6-20-7-8-21(13-30)32-20/h1-3,5,7-12,15,30H,13-14H2,(H,27,28,29) | 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 | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 16: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50182910
(CHEMBL205966 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)Show SMILES Nc1ccc(cc1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C25H18ClFN4O/c26-23-13-22(10-11-24(23)32-15-18-2-1-3-20(27)12-18)31-25-19(14-29-16-30-25)7-4-17-5-8-21(28)9-6-17/h1-3,5-6,8-14,16H,15,28H2,(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 | 36 | 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: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50182892
(CHEMBL206003 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)Show SMILES NCc1cccc(n1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C25H19ClFN5O/c26-23-12-21(9-10-24(23)33-15-17-3-1-4-19(27)11-17)32-25-18(14-29-16-30-25)7-8-20-5-2-6-22(13-28)31-20/h1-6,9-12,14,16H,13,15,28H2,(H,29,30,32) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| 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: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50182893
((6-(2-(4-(4-(3-fluorobenzyloxy)-3-chlorophenylamin...)Show SMILES OCc1cccc(n1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C25H18ClFN4O2/c26-23-12-21(9-10-24(23)33-15-17-3-1-4-19(27)11-17)31-25-18(13-28-16-29-25)7-8-20-5-2-6-22(14-32)30-20/h1-6,9-13,16,32H,14-15H2,(H,28,29,31) | 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 | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 16: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50182915
(5-(2-(1H-pyrazol-3-yl)ethynyl)-N-(4-(3-fluorobenzy...)Show SMILES Fc1cccc(COc2ccc(Nc3ncncc3C#Cc3ccn[nH]3)cc2Cl)c1 Show InChI InChI=1S/C22H15ClFN5O/c23-20-11-19(6-7-21(20)30-13-15-2-1-3-17(24)10-15)28-22-16(12-25-14-26-22)4-5-18-8-9-27-29-18/h1-3,6-12,14H,13H2,(H,27,29)(H,25,26,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 16: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50182896
(CHEMBL205235 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)Show SMILES Nc1cccc(c1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C25H18ClFN4O/c26-23-13-22(9-10-24(23)32-15-18-4-1-5-20(27)11-18)31-25-19(14-29-16-30-25)8-7-17-3-2-6-21(28)12-17/h1-6,9-14,16H,15,28H2,(H,29,30,31) | 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 | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 16: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50182896
(CHEMBL205235 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)Show SMILES Nc1cccc(c1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C25H18ClFN4O/c26-23-13-22(9-10-24(23)32-15-18-4-1-5-20(27)11-18)31-25-19(14-29-16-30-25)8-7-17-3-2-6-21(28)12-17/h1-6,9-14,16H,15,28H2,(H,29,30,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 44 | 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: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50182899
(CHEMBL208358 | N-(3-(2-(4-(4-(3-fluorobenzyloxy)-3...)Show SMILES CS(=O)(=O)Nc1cccc(c1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C26H20ClFN4O3S/c1-36(33,34)32-23-7-3-4-18(13-23)8-9-20-15-29-17-30-26(20)31-22-10-11-25(24(27)14-22)35-16-19-5-2-6-21(28)12-19/h2-7,10-15,17,32H,16H2,1H3,(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 | 45 | 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: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50182904
((5-(2-(4-(4-(3-fluorobenzyloxy)-3-chlorophenylamin...)Show SMILES OCc1ccc(o1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C24H17ClFN3O3/c25-22-11-19(5-9-23(22)31-14-16-2-1-3-18(26)10-16)29-24-17(12-27-15-28-24)4-6-20-7-8-21(13-30)32-20/h1-3,5,7-12,15,30H,13-14H2,(H,27,28,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 47 | 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: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50182907
(CHEMBL381080 | N-(3-(2-(4-(4-(3-fluorobenzyloxy)-3...)Show SMILES CS(=O)(=O)CCC(=O)Nc1cccc(c1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C29H24ClFN4O4S/c1-40(37,38)13-12-28(36)34-24-7-3-4-20(15-24)8-9-22-17-32-19-33-29(22)35-25-10-11-27(26(30)16-25)39-18-21-5-2-6-23(31)14-21/h2-7,10-11,14-17,19H,12-13,18H2,1H3,(H,34,36)(H,32,33,35) | 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 EGFR |
Bioorg Med Chem Lett 16: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50182897
(CHEMBL207247 | N-(3-(2-(4-(4-(3-fluorobenzyloxy)-3...)Show SMILES CC(=O)NCc1cccc(c1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C28H22ClFN4O2/c1-19(35)32-15-21-5-2-4-20(12-21)8-9-23-16-31-18-33-28(23)34-25-10-11-27(26(29)14-25)36-17-22-6-3-7-24(30)13-22/h2-7,10-14,16,18H,15,17H2,1H3,(H,32,35)(H,31,33,34) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 52 | 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: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50182906
(CHEMBL205045 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)Show SMILES Fc1cccc(COc2ccc(Nc3ncncc3C#Cc3ccccn3)cc2Cl)c1 Show InChI InChI=1S/C24H16ClFN4O/c25-22-13-21(9-10-23(22)31-15-17-4-3-5-19(26)12-17)30-24-18(14-27-16-29-24)7-8-20-6-1-2-11-28-20/h1-6,9-14,16H,15H2,(H,27,29,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 55 | 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: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50182913
(CHEMBL205765 | N-(6-(2-(4-(4-(3-fluorobenzyloxy)-3...)Show SMILES CC(=O)Nc1cccc(n1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C26H19ClFN5O2/c1-17(34)31-25-7-3-6-21(32-25)9-8-19-14-29-16-30-26(19)33-22-10-11-24(23(27)13-22)35-15-18-4-2-5-20(28)12-18/h2-7,10-14,16H,15H2,1H3,(H,29,30,33)(H,31,32,34) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 59 | 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: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50182901
(CHEMBL207869 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)Show SMILES Fc1cccc(COc2ccc(Nc3ncncc3C#Cc3ncccn3)cc2Cl)c1 Show InChI InChI=1S/C23H15ClFN5O/c24-20-12-19(6-7-21(20)31-14-16-3-1-4-18(25)11-16)30-23-17(13-26-15-29-23)5-8-22-27-9-2-10-28-22/h1-4,6-7,9-13,15H,14H2,(H,26,29,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 60 | 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: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50182897
(CHEMBL207247 | N-(3-(2-(4-(4-(3-fluorobenzyloxy)-3...)Show SMILES CC(=O)NCc1cccc(c1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C28H22ClFN4O2/c1-19(35)32-15-21-5-2-4-20(12-21)8-9-23-16-31-18-33-28(23)34-25-10-11-27(26(29)14-25)36-17-22-6-3-7-24(30)13-22/h2-7,10-14,16,18H,15,17H2,1H3,(H,32,35)(H,31,33,34) | 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 | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 16: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50182894
(CHEMBL204625 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)Show SMILES Nc1ccccc1C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C25H18ClFN4O/c26-22-13-21(10-11-24(22)32-15-17-4-3-6-20(27)12-17)31-25-19(14-29-16-30-25)9-8-18-5-1-2-7-23(18)28/h1-7,10-14,16H,15,28H2,(H,29,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 16: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50182915
(5-(2-(1H-pyrazol-3-yl)ethynyl)-N-(4-(3-fluorobenzy...)Show SMILES Fc1cccc(COc2ccc(Nc3ncncc3C#Cc3ccn[nH]3)cc2Cl)c1 Show InChI InChI=1S/C22H15ClFN5O/c23-20-11-19(6-7-21(20)30-13-15-2-1-3-17(24)10-15)28-22-16(12-25-14-26-22)4-5-18-8-9-27-29-18/h1-3,6-12,14H,13H2,(H,27,29)(H,25,26,28) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 66 | 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: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50182895
(1-((6-(2-(4-(4-(3-fluorobenzyloxy)-3-chlorophenyla...)Show SMILES CNC(=O)NCc1cccc(n1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C27H22ClFN6O2/c1-30-27(36)32-15-23-7-3-6-21(34-23)9-8-19-14-31-17-33-26(19)35-22-10-11-25(24(28)13-22)37-16-18-4-2-5-20(29)12-18/h2-7,10-14,17H,15-16H2,1H3,(H2,30,32,36)(H,31,33,35) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 69 | 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: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50182902
(CHEMBL438440 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)Show SMILES Fc1cccc(COc2ccc(Nc3ncncc3C#Cc3cccnc3)cc2Cl)c1 Show InChI InChI=1S/C24H16ClFN4O/c25-22-12-21(8-9-23(22)31-15-18-3-1-5-20(26)11-18)30-24-19(14-28-16-29-24)7-6-17-4-2-10-27-13-17/h1-5,8-14,16H,15H2,(H,28,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 16: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50182905
((4-(2-(4-(4-(3-fluorobenzyloxy)-3-chlorophenylamin...)Show SMILES OCc1nc(cs1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C23H16ClFN4O2S/c24-20-9-18(6-7-21(20)31-12-15-2-1-3-17(25)8-15)29-23-16(10-26-14-27-23)4-5-19-13-32-22(11-30)28-19/h1-3,6-10,13-14,30H,11-12H2,(H,26,27,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 16: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50182901
(CHEMBL207869 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)Show SMILES Fc1cccc(COc2ccc(Nc3ncncc3C#Cc3ncccn3)cc2Cl)c1 Show InChI InChI=1S/C23H15ClFN5O/c24-20-12-19(6-7-21(20)31-14-16-3-1-4-18(25)11-16)30-23-17(13-26-15-29-23)5-8-22-27-9-2-10-28-22/h1-4,6-7,9-13,15H,14H2,(H,26,29,30) | PDB
MMDB
KEGG
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 | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 16: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50182912
(3-(2-(4-(4-(3-fluorobenzyloxy)-3-chlorophenylamino...)Show SMILES CNC(=O)c1cccc(c1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C27H20ClFN4O2/c1-30-27(34)20-6-2-4-18(12-20)8-9-21-15-31-17-32-26(21)33-23-10-11-25(24(28)14-23)35-16-19-5-3-7-22(29)13-19/h2-7,10-15,17H,16H2,1H3,(H,30,34)(H,31,32,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
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GoogleScholar
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| 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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 16: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50182903
(CHEMBL379093 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)Show SMILES Fc1cccc(COc2ccc(Nc3ncncc3C#Cc3ccccc3)cc2Cl)c1 Show InChI InChI=1S/C25H17ClFN3O/c26-23-14-22(11-12-24(23)31-16-19-7-4-8-21(27)13-19)30-25-20(15-28-17-29-25)10-9-18-5-2-1-3-6-18/h1-8,11-15,17H,16H2,(H,28,29,30) | 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 | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 16: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50182911
(CHEMBL205870 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)Show InChI InChI=1S/C19H13ClFN3O/c1-2-14-10-22-12-23-19(14)24-16-6-7-18(17(20)9-16)25-11-13-4-3-5-15(21)8-13/h1,3-10,12H,11H2,(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 | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 16: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50182913
(CHEMBL205765 | N-(6-(2-(4-(4-(3-fluorobenzyloxy)-3...)Show SMILES CC(=O)Nc1cccc(n1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C26H19ClFN5O2/c1-17(34)31-25-7-3-6-21(32-25)9-8-19-14-29-16-30-26(19)33-22-10-11-24(23(27)13-22)35-15-18-4-2-5-20(28)12-18/h2-7,10-14,16H,15H2,1H3,(H,29,30,33)(H,31,32,34) | 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 | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 16: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50182894
(CHEMBL204625 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)Show SMILES Nc1ccccc1C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C25H18ClFN4O/c26-22-13-21(10-11-24(22)32-15-17-4-3-6-20(27)12-17)31-25-19(14-29-16-30-25)9-8-18-5-1-2-7-23(18)28/h1-7,10-14,16H,15,28H2,(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 | 91 | 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: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50182899
(CHEMBL208358 | N-(3-(2-(4-(4-(3-fluorobenzyloxy)-3...)Show SMILES CS(=O)(=O)Nc1cccc(c1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C26H20ClFN4O3S/c1-36(33,34)32-23-7-3-4-18(13-23)8-9-20-15-29-17-30-26(20)31-22-10-11-25(24(27)14-22)35-16-19-5-2-6-21(28)12-19/h2-7,10-15,17,32H,16H2,1H3,(H,29,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 16: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50182902
(CHEMBL438440 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)Show SMILES Fc1cccc(COc2ccc(Nc3ncncc3C#Cc3cccnc3)cc2Cl)c1 Show InChI InChI=1S/C24H16ClFN4O/c25-22-12-21(8-9-23(22)31-15-18-3-1-5-20(26)11-18)30-24-19(14-28-16-29-24)7-6-17-4-2-10-27-13-17/h1-5,8-14,16H,15H2,(H,28,29,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 140 | 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: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50182905
((4-(2-(4-(4-(3-fluorobenzyloxy)-3-chlorophenylamin...)Show SMILES OCc1nc(cs1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C23H16ClFN4O2S/c24-20-9-18(6-7-21(20)31-12-15-2-1-3-17(25)8-15)29-23-16(10-26-14-27-23)4-5-19-13-32-22(11-30)28-19/h1-3,6-10,13-14,30H,11-12H2,(H,26,27,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| 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 ErbB2 |
Bioorg Med Chem Lett 16: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50182914
(CHEMBL205652 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)Show InChI InChI=1S/C17H13ClFN3O/c18-15-9-14(22-17-6-7-20-11-21-17)4-5-16(15)23-10-12-2-1-3-13(19)8-12/h1-9,11H,10H2,(H,20,21,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 16: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50182903
(CHEMBL379093 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)Show SMILES Fc1cccc(COc2ccc(Nc3ncncc3C#Cc3ccccc3)cc2Cl)c1 Show InChI InChI=1S/C25H17ClFN3O/c26-23-14-22(11-12-24(23)31-16-19-7-4-8-21(27)13-19)30-25-20(15-28-17-29-25)10-9-18-5-2-1-3-6-18/h1-8,11-15,17H,16H2,(H,28,29,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 780 | 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: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50182909
(CHEMBL438075 | N-(4-(2-(4-(4-(3-fluorobenzyloxy)-3...)Show SMILES CC(=O)Nc1ccc(cc1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C27H20ClFN4O2/c1-18(34)32-23-9-6-19(7-10-23)5-8-21-15-30-17-31-27(21)33-24-11-12-26(25(28)14-24)35-16-20-3-2-4-22(29)13-20/h2-4,6-7,9-15,17H,16H2,1H3,(H,32,34)(H,30,31,33) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.82E+3 | 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: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50182911
(CHEMBL205870 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)Show InChI InChI=1S/C19H13ClFN3O/c1-2-14-10-22-12-23-19(14)24-16-6-7-18(17(20)9-16)25-11-13-4-3-5-15(21)8-13/h1,3-10,12H,11H2,(H,22,23,24) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.80E+3 | 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: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50182914
(CHEMBL205652 | N-(4-(3-fluorobenzyloxy)-3-chloroph...)Show InChI InChI=1S/C17H13ClFN3O/c18-15-9-14(22-17-6-7-20-11-21-17)4-5-16(15)23-10-12-2-1-3-13(19)8-12/h1-9,11H,10H2,(H,20,21,22) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10E+4 | 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: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50182909
(CHEMBL438075 | N-(4-(2-(4-(4-(3-fluorobenzyloxy)-3...)Show SMILES CC(=O)Nc1ccc(cc1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C27H20ClFN4O2/c1-18(34)32-23-9-6-19(7-10-23)5-8-21-15-30-17-31-27(21)33-24-11-12-26(25(28)14-24)35-16-20-3-2-4-22(29)13-20/h2-4,6-7,9-15,17H,16H2,1H3,(H,32,34)(H,30,31,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.51E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
Bioorg Med Chem Lett 16: 2419-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.111
BindingDB Entry DOI: 10.7270/Q2JW8DH8 |
More data for this
Ligand-Target Pair | |
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