BDBM15380 8-(2-chloro-3,4,5-trimethoxybenzyl)-9-pent-4-ynyl-9H-purin-6-amine::8-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]-9-(pent-4-yn-1-yl)-9H-purin-6-amine::CHEMBL326523::PU9::Purine-Based Inhibitor 7
SMILES: COc1cc(Cc2nc3c(N)ncnc3n2CCCC#C)c(Cl)c(OC)c1OC
InChI Key: InChIKey=WUJFGZAAFADPSF-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 90 (Hsp90) (Homo sapiens (Human)) | BDBM15380![]() (8-(2-chloro-3,4,5-trimethoxybenzyl)-9-pent-4-ynyl-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
RiboTargets Ltd Curated by ChEMBL | Assay Description Inhibition of ATP-ase activity in human colon tumour cell line (HCT116) | Bioorg Med Chem Lett 14: 325-8 (2003) Article DOI: 10.1016/j.bmcl.2003.11.011 BindingDB Entry DOI: 10.7270/Q2P55MX0 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Heat Shock Protein 90 (Hsp90) (Saccharomyces cerevisiae) | BDBM15380![]() (8-(2-chloro-3,4,5-trimethoxybenzyl)-9-pent-4-ynyl-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Vernalis (R&D) Ltd | Assay Description The HSP90 ATPase activity was determined by following the procedure of malachite green assay. The assay is based on quantitation of the green complex... | Chem Biol 11: 775-85 (2004) Article DOI: 10.1016/j.chembiol.2004.03.033 BindingDB Entry DOI: 10.7270/Q2RX99BC | |||||||||||
More data for this Ligand-Target Pair |