Found 2 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50455956' 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)) | BDBM50455956
![PNG](/data/jpeg/tenK5045/BindingDB_50455956.png) (CHEMBL5271803)Show SMILES OC(=O)\C=C\C(O)=O.COc1ccccc1C(=O)NC(=O)N[C@H]1CN2CCC1CC2 |r,wD:22.21,(10.8,-5.36,;9.3,-5.62,;8.31,-4.43,;8.53,-6.95,;6.99,-6.95,;6.22,-8.27,;6.99,-9.61,;4.69,-8.27,;-8.23,-3.56,;-6.91,-4.3,;-6.89,-5.84,;-8.22,-6.61,;-8.22,-8.17,;-6.89,-8.94,;-5.56,-8.17,;-5.56,-6.61,;-4.23,-5.84,;-4.25,-4.3,;-2.9,-6.6,;-1.57,-5.83,;-1.57,-4.29,;-.22,-6.58,;1.1,-5.81,;2.48,-6.61,;3.89,-5.81,;3.89,-4.17,;2.48,-3.37,;1.1,-4.17,;2.8,-4.59,;1.64,-5.51,)| Show InChI InChI=1S/C16H21N3O3.C4H4O4/c1-22-14-5-3-2-4-12(14)15(20)18-16(21)17-13-10-19-8-6-11(13)7-9-19;5-3(6)1-2-4(7)8/h2-5,11,13H,6-10H2,1H3,(H2,17,18,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1+/t13-;/m0./s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50455956
![PNG](/data/jpeg/tenK5045/BindingDB_50455956.png) (CHEMBL5271803)Show SMILES OC(=O)\C=C\C(O)=O.COc1ccccc1C(=O)NC(=O)N[C@H]1CN2CCC1CC2 |r,wD:22.21,(10.8,-5.36,;9.3,-5.62,;8.31,-4.43,;8.53,-6.95,;6.99,-6.95,;6.22,-8.27,;6.99,-9.61,;4.69,-8.27,;-8.23,-3.56,;-6.91,-4.3,;-6.89,-5.84,;-8.22,-6.61,;-8.22,-8.17,;-6.89,-8.94,;-5.56,-8.17,;-5.56,-6.61,;-4.23,-5.84,;-4.25,-4.3,;-2.9,-6.6,;-1.57,-5.83,;-1.57,-4.29,;-.22,-6.58,;1.1,-5.81,;2.48,-6.61,;3.89,-5.81,;3.89,-4.17,;2.48,-3.37,;1.1,-4.17,;2.8,-4.59,;1.64,-5.51,)| Show InChI InChI=1S/C16H21N3O3.C4H4O4/c1-22-14-5-3-2-4-12(14)15(20)18-16(21)17-13-10-19-8-6-11(13)7-9-19;5-3(6)1-2-4(7)8/h2-5,11,13H,6-10H2,1H3,(H2,17,18,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1+/t13-;/m0./s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |