BDBM50157358 CHEMBL3780553
SMILES: CN1CCN(CC1)c1ccc(NC(=O)c2c(NCCc3ccc(Cl)cc3)cc[nH]c2=O)cc1
InChI Key: InChIKey=MOSAREMUBHMKIV-UHFFFAOYSA-N
Data: 2 KI
PDB links: 1 PDB ID matches this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50157358 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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)) | BDBM50157358
(CHEMBL3780553)Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2c(NCCc3ccc(Cl)cc3)cc[nH]c2=O)cc1 Show InChI InChI=1S/C25H28ClN5O2/c1-30-14-16-31(17-15-30)21-8-6-20(7-9-21)29-25(33)23-22(11-13-28-24(23)32)27-12-10-18-2-4-19(26)5-3-18/h2-9,11,13H,10,12,14-17H2,1H3,(H,29,33)(H2,27,28,32) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal GST-tagged EGFR catalytic domain (669 to 1210 residues) expressed in baculovirus expression system using Fl-EEPLYWSFPA... |
ACS Med Chem Lett 7: 100-4 (2016)
BindingDB Entry DOI: 10.7270/Q25T3NCC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2/Receptor tyrosine-protein kinase erbB-3/Receptor tyrosine-protein kinase erbB-4
(Homo sapiens (Human)) | BDBM50157358
(CHEMBL3780553)Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2c(NCCc3ccc(Cl)cc3)cc[nH]c2=O)cc1 Show InChI InChI=1S/C25H28ClN5O2/c1-30-14-16-31(17-15-30)21-8-6-20(7-9-21)29-25(33)23-22(11-13-28-24(23)32)27-12-10-18-2-4-19(26)5-3-18/h2-9,11,13H,10,12,14-17H2,1H3,(H,29,33)(H2,27,28,32) | PDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB PubMed
| 262 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of human EGFR catalytic domain (668 to 1210 residues) T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 peptide substrate preincubate... |
ACS Med Chem Lett 7: 100-4 (2016)
BindingDB Entry DOI: 10.7270/Q25T3NCC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |