BDBM32372 adenosine-derived inhibitor, 6
SMILES: Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccccc3)nc12
InChI Key: InChIKey=XBPUFDODTYBKPH-XNIJJKJLSA-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)) | BDBM32372 (adenosine-derived inhibitor, 6) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.00E+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 | |||||||||||||
heat shock 70kDa protein 8 isoform 1 (Homo sapiens (Human)) | BDBM32372 (adenosine-derived inhibitor, 6) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | n/a | 1.40E+3 | 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)) | BDBM32372 (adenosine-derived inhibitor, 6) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | n/a | 1.45E+3 | 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 | |||||||||||||
Sodium/nucleoside cotransporter 2 (Homo sapiens (Human)) | BDBM32372 (adenosine-derived inhibitor, 6) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kissei Pharmaceutical Co., Ltd. Curated by ChEMBL | Assay Description Inhibition of human CNT2 expressed in COS7 cells assessed as reduction in sodium-dependent [14C]-inosine uptake in presence of Na+ by liquid scintill... | ACS Med Chem Lett 6: 244-8 (2015) Article DOI: 10.1021/ml500343r BindingDB Entry DOI: 10.7270/Q2BK1F27 | |||||||||||
More data for this Ligand-Target Pair |