Found 7 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50461172' 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)) | BDBM50461172
(CHEMBL4228518)Show SMILES CN(C)CCOc1ccc(Nc2ncc3nc(Sc4ccc(F)cc4)n(C4CCOCC4)c3n2)cc1 Show InChI InChI=1S/C26H29FN6O2S/c1-32(2)13-16-35-21-7-5-19(6-8-21)29-25-28-17-23-24(31-25)33(20-11-14-34-15-12-20)26(30-23)36-22-9-3-18(27)4-10-22/h3-10,17,20H,11-16H2,1-2H3,(H,28,29,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50461172
(CHEMBL4228518)Show SMILES CN(C)CCOc1ccc(Nc2ncc3nc(Sc4ccc(F)cc4)n(C4CCOCC4)c3n2)cc1 Show InChI InChI=1S/C26H29FN6O2S/c1-32(2)13-16-35-21-7-5-19(6-8-21)29-25-28-17-23-24(31-25)33(20-11-14-34-15-12-20)26(30-23)36-22-9-3-18(27)4-10-22/h3-10,17,20H,11-16H2,1-2H3,(H,28,29,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of wild type EGFR (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence assay |
Bioorg Med Chem 26: 2173-2185 (2018)
Article DOI: 10.1016/j.bmc.2018.03.025
BindingDB Entry DOI: 10.7270/Q2H41V28 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50461172
(CHEMBL4228518)Show SMILES CN(C)CCOc1ccc(Nc2ncc3nc(Sc4ccc(F)cc4)n(C4CCOCC4)c3n2)cc1 Show InChI InChI=1S/C26H29FN6O2S/c1-32(2)13-16-35-21-7-5-19(6-8-21)29-25-28-17-23-24(31-25)33(20-11-14-34-15-12-20)26(30-23)36-22-9-3-18(27)4-10-22/h3-10,17,20H,11-16H2,1-2H3,(H,28,29,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 114 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112995
BindingDB Entry DOI: 10.7270/Q2DN494X |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50461172
(CHEMBL4228518)Show SMILES CN(C)CCOc1ccc(Nc2ncc3nc(Sc4ccc(F)cc4)n(C4CCOCC4)c3n2)cc1 Show InChI InChI=1S/C26H29FN6O2S/c1-32(2)13-16-35-21-7-5-19(6-8-21)29-25-28-17-23-24(31-25)33(20-11-14-34-15-12-20)26(30-23)36-22-9-3-18(27)4-10-22/h3-10,17,20H,11-16H2,1-2H3,(H,28,29,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 114 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence ... |
Bioorg Med Chem 26: 2173-2185 (2018)
Article DOI: 10.1016/j.bmc.2018.03.025
BindingDB Entry DOI: 10.7270/Q2H41V28 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50461172
(CHEMBL4228518)Show SMILES CN(C)CCOc1ccc(Nc2ncc3nc(Sc4ccc(F)cc4)n(C4CCOCC4)c3n2)cc1 Show InChI InChI=1S/C26H29FN6O2S/c1-32(2)13-16-35-21-7-5-19(6-8-21)29-25-28-17-23-24(31-25)33(20-11-14-34-15-12-20)26(30-23)36-22-9-3-18(27)4-10-22/h3-10,17,20H,11-16H2,1-2H3,(H,28,29,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 114 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50461172
(CHEMBL4228518)Show SMILES CN(C)CCOc1ccc(Nc2ncc3nc(Sc4ccc(F)cc4)n(C4CCOCC4)c3n2)cc1 Show InChI InChI=1S/C26H29FN6O2S/c1-32(2)13-16-35-21-7-5-19(6-8-21)29-25-28-17-23-24(31-25)33(20-11-14-34-15-12-20)26(30-23)36-22-9-3-18(27)4-10-22/h3-10,17,20H,11-16H2,1-2H3,(H,28,29,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 189 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of EGFR L858R/T790M double mutant (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence assay |
Bioorg Med Chem 26: 2173-2185 (2018)
Article DOI: 10.1016/j.bmc.2018.03.025
BindingDB Entry DOI: 10.7270/Q2H41V28 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50461172
(CHEMBL4228518)Show SMILES CN(C)CCOc1ccc(Nc2ncc3nc(Sc4ccc(F)cc4)n(C4CCOCC4)c3n2)cc1 Show InChI InChI=1S/C26H29FN6O2S/c1-32(2)13-16-35-21-7-5-19(6-8-21)29-25-28-17-23-24(31-25)33(20-11-14-34-15-12-20)26(30-23)36-22-9-3-18(27)4-10-22/h3-10,17,20H,11-16H2,1-2H3,(H,28,29,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 189 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX |
More data for this
Ligand-Target Pair | |
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