Found 5 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50453888' 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)) | BDBM50453888
(CHEMBL4214588)Show SMILES COC(=O)c1ccc(O)c(c1)-c1nc(NCc2cccnc2)c2ccccc2n1 Show InChI InChI=1S/C22H18N4O3/c1-29-22(28)15-8-9-19(27)17(11-15)21-25-18-7-3-2-6-16(18)20(26-21)24-13-14-5-4-10-23-12-14/h2-12,27H,13H2,1H3,(H,24,25,26) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 46 | 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)) | BDBM50453888
(CHEMBL4214588)Show SMILES COC(=O)c1ccc(O)c(c1)-c1nc(NCc2cccnc2)c2ccccc2n1 Show InChI InChI=1S/C22H18N4O3/c1-29-22(28)15-8-9-19(27)17(11-15)21-25-18-7-3-2-6-16(18)20(26-21)24-13-14-5-4-10-23-12-14/h2-12,27H,13H2,1H3,(H,24,25,26) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 46 | 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)) | BDBM50453888
(CHEMBL4214588)Show SMILES COC(=O)c1ccc(O)c(c1)-c1nc(NCc2cccnc2)c2ccccc2n1 Show InChI InChI=1S/C22H18N4O3/c1-29-22(28)15-8-9-19(27)17(11-15)21-25-18-7-3-2-6-16(18)20(26-21)24-13-14-5-4-10-23-12-14/h2-12,27H,13H2,1H3,(H,24,25,26) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Wenzhou Medical University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human EGFR d746-750/T790M/C797S mutant using poly-Glu-Tyr (4:1) as substrate after 2 hrs in presence of [gamma-33P]-ATP by ... |
J Med Chem 61: 4290-4300 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01310 BindingDB Entry DOI: 10.7270/Q2VQ358D |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50453888
(CHEMBL4214588)Show SMILES COC(=O)c1ccc(O)c(c1)-c1nc(NCc2cccnc2)c2ccccc2n1 Show InChI InChI=1S/C22H18N4O3/c1-29-22(28)15-8-9-19(27)17(11-15)21-25-18-7-3-2-6-16(18)20(26-21)24-13-14-5-4-10-23-12-14/h2-12,27H,13H2,1H3,(H,24,25,26) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+4 | 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)) | BDBM50453888
(CHEMBL4214588)Show SMILES COC(=O)c1ccc(O)c(c1)-c1nc(NCc2cccnc2)c2ccccc2n1 Show InChI InChI=1S/C22H18N4O3/c1-29-22(28)15-8-9-19(27)17(11-15)21-25-18-7-3-2-6-16(18)20(26-21)24-13-14-5-4-10-23-12-14/h2-12,27H,13H2,1H3,(H,24,25,26) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wenzhou Medical University
Curated by ChEMBL
| Assay Description Inhibition of wild type recombinant N-terminal GST-tagged human EGFR catalytic domain expressed in Sf9 insect cells using poly-Glu-Tyr (4:1) as subst... |
J Med Chem 61: 4290-4300 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01310 BindingDB Entry DOI: 10.7270/Q2VQ358D |
More data for this Ligand-Target Pair | |