BDBM50165286 8-(2,4-Dimethyl-phenylsulfanyl)-9-pent-4-ynyl-9H-purin-6-ylamine::CHEMBL424824
SMILES: Cc1ccc(Sc2nc3c(N)ncnc3n2CCCC#C)c(C)c1
InChI Key: InChIKey=WLYXAWLTUOYKMO-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 (Mus musculus) | BDBM50165286 (8-(2,4-Dimethyl-phenylsulfanyl)-9-pent-4-ynyl-9H-p...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 8.60E+3 | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL | Assay Description Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha | J Med Chem 48: 2892-905 (2005) Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Heat Shock Protein 90 (Hsp90) (Homo sapiens (Human)) | BDBM50165286 (8-(2,4-Dimethyl-phenylsulfanyl)-9-pent-4-ynyl-9H-p...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.92E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL | Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells | J Med Chem 48: 2892-905 (2005) Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Heat shock protein 75 kDa, mitochondrial (Homo sapiens (Human)) | BDBM50165286 (8-(2,4-Dimethyl-phenylsulfanyl)-9-pent-4-ynyl-9H-p...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.38E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sloan-Kettering Curated by ChEMBL | Assay Description Displacement of PU-FITC3 from recombinant TRAP-1 (unknown origin) after 24 hrs by fluorescence polarization assay | J Med Chem 58: 3922-43 (2015) Article DOI: 10.1021/acs.jmedchem.5b00197 BindingDB Entry DOI: 10.7270/Q2CC12DD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Heat shock protein HSP 90-alpha (Homo sapiens (Human)) | BDBM50165286 (8-(2,4-Dimethyl-phenylsulfanyl)-9-pent-4-ynyl-9H-p...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Sloan-Kettering Curated by ChEMBL | Assay Description Displacement of Cy3B-GM from recombinant Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay | J Med Chem 58: 3922-43 (2015) Article DOI: 10.1021/acs.jmedchem.5b00197 BindingDB Entry DOI: 10.7270/Q2CC12DD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Endoplasmin (Homo sapiens (Human)) | BDBM50165286 (8-(2,4-Dimethyl-phenylsulfanyl)-9-pent-4-ynyl-9H-p...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sloan-Kettering Curated by ChEMBL | Assay Description Displacement of Cy3B-GM from recombinant Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay | J Med Chem 58: 3922-43 (2015) Article DOI: 10.1021/acs.jmedchem.5b00197 BindingDB Entry DOI: 10.7270/Q2CC12DD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Heat shock protein HSP 90-beta (Homo sapiens (Human)) | BDBM50165286 (8-(2,4-Dimethyl-phenylsulfanyl)-9-pent-4-ynyl-9H-p...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Sloan-Kettering Curated by ChEMBL | Assay Description Displacement of Cy3B-GM from recombinant Hsp90beta (unknown origin) after 24 hrs by fluorescence polarization assay | J Med Chem 58: 3922-43 (2015) Article DOI: 10.1021/acs.jmedchem.5b00197 BindingDB Entry DOI: 10.7270/Q2CC12DD | |||||||||||
More data for this Ligand-Target Pair |