Found 2 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50266907' 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)) | BDBM50266907
(CHEMBL4101719)Show SMILES OCCCc1nc(c([nH]1)-c1ccnc2[nH]c(cc12)-c1ccccc1)-c1ccc(F)cc1 Show InChI InChI=1S/C25H21FN4O/c26-18-10-8-17(9-11-18)23-24(30-22(29-23)7-4-14-31)19-12-13-27-25-20(19)15-21(28-25)16-5-2-1-3-6-16/h1-3,5-6,8-13,15,31H,4,7,14H2,(H,27,28)(H,29,30) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | <0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard Karls Universit£t T£bingen
Curated by ChEMBL
| Assay Description Inhibition of wild-type EGFR (unknown origin) |
J Med Chem 60: 4636-4656 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00178 BindingDB Entry DOI: 10.7270/Q26T0Q47 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50266907
(CHEMBL4101719)Show SMILES OCCCc1nc(c([nH]1)-c1ccnc2[nH]c(cc12)-c1ccccc1)-c1ccc(F)cc1 Show InChI InChI=1S/C25H21FN4O/c26-18-10-8-17(9-11-18)23-24(30-22(29-23)7-4-14-31)19-12-13-27-25-20(19)15-21(28-25)16-5-2-1-3-6-16/h1-3,5-6,8-13,15,31H,4,7,14H2,(H,27,28)(H,29,30) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 21 | 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 | 3D Structure (crystal) |