Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Heat shock protein HSP 90-alpha (228/228 = 100%)† (Homo sapiens (Human)) | BDBM50343360 (4-Chloro-6-(2-methoxyphenyl)-pyrimidin-2-ylamine |...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents | MMDB PDB Article PubMed | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Displacement of [3H]-(R)-2-(5-chloro-2,4-dihydroxybenzoyl)-N-ethylisoindoline-1-carboxamide from human his(6)-tagged HSP90alpha after 30 mins by scin... | J Med Chem 54: 3368-85 (2011) Article DOI: 10.1021/jm200128m BindingDB Entry DOI: 10.7270/Q2Z320M5 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Heat shock protein HSP 90-alpha/90-beta (196/213 = 92%)† (Homo sapiens (Human)) | BDBM50343360 (4-Chloro-6-(2-methoxyphenyl)-pyrimidin-2-ylamine |...) | PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents | PDB Article PubMed | n/a | n/a | n/a | 350 | 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 | 3D Structure (crystal) |