Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 12 entry = 50012746 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)) | BDBM50559919
![PNG](/data/jpeg/tenK5055/BindingDB_50559919.png) (CHEMBL4782725)Show SMILES CC#CC(=O)Nc1cc2c(Oc3ccc(cc3)C(=O)Nc3ccccn3)ccnc2cc1OCCN1CCOCC1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of EGFR phosphorylation in human A431 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127261 BindingDB Entry DOI: 10.7270/Q2TB1BM3 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50175583
![PNG](/data/jpeg/tenK5017/BindingDB_50175583.png) (ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)Show SMILES [H][C@]1(CCCN1C(=O)C#CC)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r| Show InChI InChI=1S/C26H23N7O2/c1-2-6-21(34)32-15-5-7-19(32)25-31-22(23-24(27)29-14-16-33(23)25)17-9-11-18(12-10-17)26(35)30-20-8-3-4-13-28-20/h3-4,8-14,16,19H,5,7,15H2,1H3,(H2,27,29)(H,28,30,35)/t19-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of EGFR phosphorylation in human A431 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127261 BindingDB Entry DOI: 10.7270/Q2TB1BM3 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50357312
![PNG](/data/jpeg/tenK5035/BindingDB_50357312.png) (IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 49 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of EGFR phosphorylation in human A431 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127261 BindingDB Entry DOI: 10.7270/Q2TB1BM3 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50559921
![PNG](/data/jpeg/tenK5055/BindingDB_50559921.png) (CHEMBL4755977)Show SMILES COc1cc2nccc(Oc3ccc(cc3)C(=O)Nc3ccccn3)c2cc1NC(=O)C#CCCN1CCOCC1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of EGFR phosphorylation in human A431 cells |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127261 BindingDB Entry DOI: 10.7270/Q2TB1BM3 |
More data for this Ligand-Target Pair | |