BDBM82128 2-[(2R,3S,4R,5R)-5-(6-Amino-8-methylaminopurin-9-yl)- 3,4-dihydroxytetrahydrofuran-2-ylmethoxy]acetamide::adenosine-derived inhibitor (Grp78), 7
SMILES: CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COCC(N)=O)[C@@H](O)[C@H]1O
InChI Key: InChIKey=YTEPWBADDXGTBX-JJNLEZRASA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Heat Shock 70kDa Protein 1 (Homo sapiens (Human)) | BDBM82128 (2-[(2R,3S,4R,5R)-5-(6-Amino-8-methylaminopurin-9-y...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 1.85E+3 | -7.82 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Vernalis (R&D) Ltd. | Assay Description The assay was based on the fluorescence polarization of the unbound small binding partner will be low, and its binding to a larger binding partner wi... | J Med Chem 54: 4034-41 (2011) Article DOI: 10.1021/jm101625x BindingDB Entry DOI: 10.7270/Q2R49P83 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Grp78 (Homo sapiens (Human)) | BDBM82128 (2-[(2R,3S,4R,5R)-5-(6-Amino-8-methylaminopurin-9-y...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | 1.24E+4 | n/a | >1 | n/a | 7.4 | 25 |
Vernalis (R&D) Ltd. | Assay Description SPR measurements wereperformed on BIAcore T100 instrument (BIAcore GE Healthcare), at25 C on series S NTA chips (certified) according to provider'... | J Med Chem 54: 4034-41 (2011) Article DOI: 10.1021/jm101625x BindingDB Entry DOI: 10.7270/Q2R49P83 | |||||||||||
More data for this Ligand-Target Pair |