BDBM20901 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-{[(2-methanesulfonylethyl)amino]methyl}phenyl)-1,2-oxazole-3-carboxamide::Isoxazole, 30b::US10413550, Example 37::US9718793, 37
SMILES: CCNC(=O)c1noc(c1-c1ccc(CNCCS(C)(=O)=O)cc1)-c1cc(Cl)c(O)cc1O
InChI Key: InChIKey=HBZAMKDPZGODPV-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-beta (Homo sapiens (Human)) | BDBM20901 (5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-{[(2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 14 | n/a | 1.98E+3 | 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 51: 196-218 (2008) Article DOI: 10.1021/jm701018h BindingDB Entry DOI: 10.7270/Q2JW8C5C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HSP90 (Homo sapiens (Human)-Alligator mississippiensis (A...) | BDBM20901 (5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-{[(2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | US Patent | n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research US Patent | Assay Description (1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris... | US Patent US10413550 (2019) BindingDB Entry DOI: 10.7270/Q2C82CP2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Heat shock protein HSP 90-alpha (Homo sapiens (Human)) | BDBM20901 (5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-{[(2...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | US Patent | n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent | Assay Description Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu... | US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM | |||||||||||
More data for this Ligand-Target Pair |