Found 9 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50544089' 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)) | BDBM50544089
(CHEMBL4649261)Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1cn(CCCO)c2ccccc12)N(C)CCN(C)C Show InChI InChI=1S/C27H34N6O2/c1-31(2)15-16-32(3)20-10-11-24(26(18-20)35-4)30-27-28-13-12-23(29-27)22-19-33(14-7-17-34)25-9-6-5-8-21(22)25/h5-6,8-13,18-19,34H,7,14-17H2,1-4H3,(H,28,29,30) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 15 | 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)) | BDBM50544089
(CHEMBL4649261)Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1cn(CCCO)c2ccccc12)N(C)CCN(C)C Show InChI InChI=1S/C27H34N6O2/c1-31(2)15-16-32(3)20-10-11-24(26(18-20)35-4)30-27-28-13-12-23(29-27)22-19-33(14-7-17-34)25-9-6-5-8-21(22)25/h5-6,8-13,18-19,34H,7,14-17H2,1-4H3,(H,28,29,30) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science & Technology
Curated by ChEMBL
| Assay Description Inhibition of EGFR 19D/T790M/C797S mutant (unknown origin) by ELISA |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127327 BindingDB Entry DOI: 10.7270/Q2ZK5M7N |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50544089
(CHEMBL4649261)Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1cn(CCCO)c2ccccc12)N(C)CCN(C)C Show InChI InChI=1S/C27H34N6O2/c1-31(2)15-16-32(3)20-10-11-24(26(18-20)35-4)30-27-28-13-12-23(29-27)22-19-33(14-7-17-34)25-9-6-5-8-21(22)25/h5-6,8-13,18-19,34H,7,14-17H2,1-4H3,(H,28,29,30) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 157 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science & Technology
Curated by ChEMBL
| Assay Description Inhibition of EGFR L858R/T790M mutant (unknown origin) by ELISA |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127327 BindingDB Entry DOI: 10.7270/Q2ZK5M7N |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50544089
(CHEMBL4649261)Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1cn(CCCO)c2ccccc12)N(C)CCN(C)C Show InChI InChI=1S/C27H34N6O2/c1-31(2)15-16-32(3)20-10-11-24(26(18-20)35-4)30-27-28-13-12-23(29-27)22-19-33(14-7-17-34)25-9-6-5-8-21(22)25/h5-6,8-13,18-19,34H,7,14-17H2,1-4H3,(H,28,29,30) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 157 | 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)) | BDBM50544089
(CHEMBL4649261)Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1cn(CCCO)c2ccccc12)N(C)CCN(C)C Show InChI InChI=1S/C27H34N6O2/c1-31(2)15-16-32(3)20-10-11-24(26(18-20)35-4)30-27-28-13-12-23(29-27)22-19-33(14-7-17-34)25-9-6-5-8-21(22)25/h5-6,8-13,18-19,34H,7,14-17H2,1-4H3,(H,28,29,30) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 218 | 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)) | BDBM50544089
(CHEMBL4649261)Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1cn(CCCO)c2ccccc12)N(C)CCN(C)C Show InChI InChI=1S/C27H34N6O2/c1-31(2)15-16-32(3)20-10-11-24(26(18-20)35-4)30-27-28-13-12-23(29-27)22-19-33(14-7-17-34)25-9-6-5-8-21(22)25/h5-6,8-13,18-19,34H,7,14-17H2,1-4H3,(H,28,29,30) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 218 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science & Technology
Curated by ChEMBL
| Assay Description Inhibition of EGFR L858R/T790M/C797S mutant (unknown origin) by ELISA |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127327 BindingDB Entry DOI: 10.7270/Q2ZK5M7N |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50544089
(CHEMBL4649261)Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1cn(CCCO)c2ccccc12)N(C)CCN(C)C Show InChI InChI=1S/C27H34N6O2/c1-31(2)15-16-32(3)20-10-11-24(26(18-20)35-4)30-27-28-13-12-23(29-27)22-19-33(14-7-17-34)25-9-6-5-8-21(22)25/h5-6,8-13,18-19,34H,7,14-17H2,1-4H3,(H,28,29,30) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 218 | 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)) | BDBM50544089
(CHEMBL4649261)Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1cn(CCCO)c2ccccc12)N(C)CCN(C)C Show InChI InChI=1S/C27H34N6O2/c1-31(2)15-16-32(3)20-10-11-24(26(18-20)35-4)30-27-28-13-12-23(29-27)22-19-33(14-7-17-34)25-9-6-5-8-21(22)25/h5-6,8-13,18-19,34H,7,14-17H2,1-4H3,(H,28,29,30) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science & Technology
Curated by ChEMBL
| Assay Description Inhibition of wild type EGFR (unknown origin) by ELISA |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127327 BindingDB Entry DOI: 10.7270/Q2ZK5M7N |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50544089
(CHEMBL4649261)Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1cn(CCCO)c2ccccc12)N(C)CCN(C)C Show InChI InChI=1S/C27H34N6O2/c1-31(2)15-16-32(3)20-10-11-24(26(18-20)35-4)30-27-28-13-12-23(29-27)22-19-33(14-7-17-34)25-9-6-5-8-21(22)25/h5-6,8-13,18-19,34H,7,14-17H2,1-4H3,(H,28,29,30) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+3 | 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 | |