BDBM50377272 CHEMBL255438
SMILES: Nc1ncnc(Nc2ccc3n(Cc4cccc(F)c4)ncc3c2)c1\C=N\OCc1ccccc1
InChI Key: InChIKey=KWGOTWZNNOUINW-HIWRWHBISA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50377272 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 |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50377272
(CHEMBL255438)Show SMILES Nc1ncnc(Nc2ccc3n(Cc4cccc(F)c4)ncc3c2)c1\C=N\OCc1ccccc1 Show InChI InChI=1S/C26H22FN7O/c27-21-8-4-7-19(11-21)15-34-24-10-9-22(12-20(24)13-31-34)33-26-23(25(28)29-17-30-26)14-32-35-16-18-5-2-1-3-6-18/h1-14,17H,15-16H2,(H3,28,29,30,33)/b32-14+ | PDB MMDB
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description Inhibition of ErbB2 |
Bioorg Med Chem Lett 18: 3495-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.024 BindingDB Entry DOI: 10.7270/Q21G0N5V |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50377272
(CHEMBL255438)Show SMILES Nc1ncnc(Nc2ccc3n(Cc4cccc(F)c4)ncc3c2)c1\C=N\OCc1ccccc1 Show InChI InChI=1S/C26H22FN7O/c27-21-8-4-7-19(11-21)15-34-24-10-9-22(12-20(24)13-31-34)33-26-23(25(28)29-17-30-26)14-32-35-16-18-5-2-1-3-6-18/h1-14,17H,15-16H2,(H3,28,29,30,33)/b32-14+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description Inhibition of EGFR |
Bioorg Med Chem Lett 18: 3495-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.024 BindingDB Entry DOI: 10.7270/Q21G0N5V |
More data for this Ligand-Target Pair | |