BDBM32377 adenosine-derived inhibitor (Grp78), 12::adenosine-derived inhibitor, 11
SMILES: Nc1ncnc2n([C@@H]3O[C@H](COCc4ccccc4)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)c(Cl)c3)nc12
InChI Key: InChIKey=PTHFXORLUDDFQZ-ZDXOVATRSA-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)) | BDBM32377 (adenosine-derived inhibitor (Grp78), 12 | adenosin...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.05E+3 | -8.15 | 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 | |||||||||||||
Heat Shock 70kDa Protein 1 (Homo sapiens (Human)) | BDBM32377 (adenosine-derived inhibitor (Grp78), 12 | adenosin...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | 7.4 | 23 |
Vernalis (R&D) Ltd. | Assay Description A fluorescein-labeled ATP-based probe was utilized, which binds to the GST fused ATPase domain (amino acids 3-383) of HSP70, producing an increase in... | J Med Chem 52: 1510-3 (2009) Article DOI: 10.1021/jm801627a BindingDB Entry DOI: 10.7270/Q29S1PDC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Grp78 (Homo sapiens (Human)) | BDBM32377 (adenosine-derived inhibitor (Grp78), 12 | adenosin...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 770 | n/a | 0.300 | 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 |