BDBM32371 adenosine-derived inhibitor (Grp78), 3::adenosine-derived inhibitor, 5
SMILES: CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChI Key: InChIKey=ISWTXTWJONWIEN-KQYNXXCUSA-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 |
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Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM32371 (adenosine-derived inhibitor (Grp78), 3 | adenosine...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 2.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL | Assay Description Displacement of [3H]DPCPX (without GTP) from Adenosine A1 receptor of rat cortical membrane | J Med Chem 39: 1463-71 (1996) Article DOI: 10.1021/jm950267m BindingDB Entry DOI: 10.7270/Q2WH2QNT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Heat Shock 70kDa Protein 1 (Homo sapiens (Human)) | BDBM32371 (adenosine-derived inhibitor (Grp78), 3 | adenosine...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 8.30E+3 | -6.93 | 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 | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM32371 (adenosine-derived inhibitor (Grp78), 3 | adenosine...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 1.86E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL | Assay Description Displacement of [3H]DPCPX (with GTP) from Adenosine A1 receptor of rat cortical membrane | J Med Chem 39: 1463-71 (1996) Article DOI: 10.1021/jm950267m BindingDB Entry DOI: 10.7270/Q2WH2QNT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Grp78 (Homo sapiens (Human)) | BDBM32371 (adenosine-derived inhibitor (Grp78), 3 | adenosine...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 7.46E+3 | 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 | |||||||||||||
heat shock 70kDa protein 8 isoform 1 (Homo sapiens (Human)) | BDBM32371 (adenosine-derived inhibitor (Grp78), 3 | adenosine...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research Curated by ChEMBL | Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis | J Med Chem 59: 4625-36 (2016) BindingDB Entry DOI: 10.7270/Q2Z03B3X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
heat shock 70kDa protein 8 isoform 1 (Homo sapiens (Human)) | BDBM32371 (adenosine-derived inhibitor (Grp78), 3 | adenosine...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research Curated by ChEMBL | Assay Description Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis | J Med Chem 59: 4625-36 (2016) BindingDB Entry DOI: 10.7270/Q2Z03B3X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Heat Shock 70kDa Protein 1 (Homo sapiens (Human)) | BDBM32371 (adenosine-derived inhibitor (Grp78), 3 | adenosine...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.70E+4 | 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 |