Found 7 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50035258 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)) | BDBM4779
(CHEMBL31965 | CHEMBL545315 | CI-1033 | Canertinib ...)Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Epidermal Growth Factor Receptor (EGFR) autophosphorylation |
Bioorg Med Chem Lett 12: 2893-7 (2002)
BindingDB Entry DOI: 10.7270/Q23J3DHW |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50119074
(CHEMBL95774 | N-[4-(3-Chloro-4-fluoro-phenylamino)...)Show SMILES Fc1ccc(Nc2c(cnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)C#N)cc1Cl Show InChI InChI=1S/C26H25ClFN5O3/c1-2-25(34)32-23-13-19-22(14-24(23)36-9-3-6-33-7-10-35-11-8-33)30-16-17(15-29)26(19)31-18-4-5-21(28)20(27)12-18/h2,4-5,12-14,16H,1,3,6-11H2,(H,30,31)(H,32,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Epidermal Growth Factor Receptor (EGFR) autophosphorylation |
Bioorg Med Chem Lett 12: 2893-7 (2002)
BindingDB Entry DOI: 10.7270/Q23J3DHW |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM31090
((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...)Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Epidermal Growth Factor Receptor (EGFR) autophosphorylation |
Bioorg Med Chem Lett 12: 2893-7 (2002)
BindingDB Entry DOI: 10.7270/Q23J3DHW |
More data for this
Ligand-Target Pair | |
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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
PubMed
| n/a | n/a | 515 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Epidermal Growth Factor Receptor (EGFR) autophosphorylation |
Bioorg Med Chem Lett 12: 2893-7 (2002)
BindingDB Entry DOI: 10.7270/Q23J3DHW |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50119073
(4-(3-Ethynyl-phenylamino)-6,7-bis-(2-methoxy-ethox...)Show SMILES COCCOc1cc2ncc(C#N)c(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C24H23N3O4/c1-4-17-6-5-7-19(12-17)27-24-18(15-25)16-26-21-14-23(31-11-9-29-3)22(13-20(21)24)30-10-8-28-2/h1,5-7,12-14,16H,8-11H2,2-3H3,(H,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 850 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Epidermal Growth Factor Receptor (EGFR) autophosphorylation |
Bioorg Med Chem Lett 12: 2893-7 (2002)
BindingDB Entry DOI: 10.7270/Q23J3DHW |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50119071
(4-(3-Chloro-4-fluoro-phenylamino)-7-methoxy-6-(3-m...)Show SMILES COc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C24H24ClFN4O3/c1-31-22-13-21-18(12-23(22)33-8-2-5-30-6-9-32-10-7-30)24(16(14-27)15-28-21)29-17-3-4-20(26)19(25)11-17/h3-4,11-13,15H,2,5-10H2,1H3,(H,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Epidermal Growth Factor Receptor (EGFR) autophosphorylation |
Bioorg Med Chem Lett 12: 2893-7 (2002)
BindingDB Entry DOI: 10.7270/Q23J3DHW |
More data for this
Ligand-Target Pair | |
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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
PubMed
| n/a | n/a | 1.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of Epidermal Growth Factor Receptor (EGFR) autophosphorylation |
Bioorg Med Chem Lett 12: 2893-7 (2002)
BindingDB Entry DOI: 10.7270/Q23J3DHW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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