BDBM81731 HSP90 Inhibitor, 5
SMILES: Nc1nc(Cl)cc(n1)-c1ccc(Cl)cc1Cl
InChI Key: InChIKey=UBOHXJWDWYXNGW-UHFFFAOYSA-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 protein HSP 90-alpha (Homo sapiens (Human)) | BDBM81731 (HSP90 Inhibitor, 5) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents | Article PubMed | 60 | -9.85 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Abbott Laboratories | Assay Description HSP90 inhibitors identified using Fluorescence resonance energy transfer assay. | Chem Biol Drug Des 70: 1-12 (2007) Article DOI: 10.1111/j.1747-0285.2007.00535.x BindingDB Entry DOI: 10.7270/Q25X27DH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Heat Shock Protein 90 (Hsp90) (Homo sapiens (Human)) | BDBM81731 (HSP90 Inhibitor, 5) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a |
Astex Therapeutics, Ltd. Curated by ChEMBL | Assay Description Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetry | J Med Chem 53: 5942-55 (2010) Article DOI: 10.1021/jm100059d BindingDB Entry DOI: 10.7270/Q2QF8WPC | |||||||||||
More data for this Ligand-Target Pair |