BDBM50161650 4-(1,3-BENZODIOXOL-5-YL)-5-(5-ETHYL-2,4-DIHYDROXYPHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID::4-(benzo[d][1,3]dioxol-5-yl)-3-(5-ethyl-2,4-dihydroxyphenyl)-1H-pyrazole-5-carboxylic acid::4-Benzo[1,3]dioxol-5-yl-5-(5-ethyl-2,4-dihydroxy-phenyl)-2H-pyrazole-3-carboxylic acid::CHEMBL178130
SMILES: CCc1cc(-c2n[nH]c(C(O)=O)c2-c2ccc3OCOc3c2)c(O)cc1O
InChI Key: InChIKey=LCTWZJKHOGKNMX-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 |
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Heat shock protein HSP 90-alpha (Homo sapiens (Human)) | BDBM50161650 (4-(1,3-BENZODIOXOL-5-YL)-5-(5-ETHYL-2,4-DIHYDROXYP...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem | MMDB PDB Article PubMed | n/a | n/a | n/a | 680 | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL | Assay Description In vitro dissociation constant for heat shock 90 kDa protein alpha | Bioorg Med Chem Lett 15: 1475-8 (2005) Article DOI: 10.1016/j.bmcl.2004.12.087 BindingDB Entry DOI: 10.7270/Q2X066JX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Heat shock protein HSP 90-beta (Homo sapiens (Human)) | BDBM50161650 (4-(1,3-BENZODIOXOL-5-YL)-5-(5-ETHYL-2,4-DIHYDROXYP...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem | MMDB PDB Article PubMed | n/a | n/a | n/a | 680 | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL | Assay Description Inhibition of Hsp90 by surface plasmon resonance assay | Bioorg Med Chem 17: 2225-35 (2009) Article DOI: 10.1016/j.bmc.2008.10.087 BindingDB Entry DOI: 10.7270/Q2T72JCS | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Alpha-amylase (Homo sapiens (Human)) | BDBM50161650 (4-(1,3-BENZODIOXOL-5-YL)-5-(5-ETHYL-2,4-DIHYDROXYP...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem | PubMed | n/a | n/a | 4.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Freie Universit£t Berlin Curated by ChEMBL | Assay Description Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis | Bioorg Med Chem 23: 6725-32 (2015) BindingDB Entry DOI: 10.7270/Q21G0P2X | |||||||||||
More data for this Ligand-Target Pair |