BDBM15363 4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol::CCT018159 analog 2
SMILES: Cc1[nH]nc(c1-c1ccc2OCCOc2c1)-c1ccc(O)cc1O
InChI Key: InChIKey=SQSSUJCNDQSVLG-UHFFFAOYSA-N
Data: 2 IC50
PDB links: 3 PDB IDs contain this monomer as substructures. 3 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
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) (Saccharomyces cerevisiae) | BDBM15363 (4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 6.08E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research Curated by ChEMBL | Assay Description Inhibition of yeast Hsp90 ATPase activity | Bioorg Med Chem Lett 15: 3338-43 (2005) Article DOI: 10.1016/j.bmcl.2005.05.046 BindingDB Entry DOI: 10.7270/Q22808T2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Heat shock protein HSP 90-beta (Homo sapiens (Human)) | BDBM15363 (4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.73E+3 | n/a | n/a | n/a | n/a | 7.4 | 22 |
Vernalis (R&D) Ltd | Assay Description The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90... | J Med Chem 48: 4212-5 (2005) Article DOI: 10.1021/jm050355z BindingDB Entry DOI: 10.7270/Q2WQ0216 | |||||||||||
More data for this Ligand-Target Pair |