BDBM42715 3-(4-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}benzyl)quinazoline-2,4(1H,3H)-dione::3-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]benzyl]-1H-quinazoline-2,4-quinone::3-[[4-[4-(4-fluorophenyl)piperazin-1-yl]carbonylphenyl]methyl]-1H-quinazoline-2,4-dione::3-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]-1H-quinazoline-2,4-dione::3-[[4-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]-1H-quinazoline-2,4-dione::MLS000094650::SMR000030203::cid_3240330
SMILES: Fc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1
InChI Key: InChIKey=WHXCHRBROARPJL-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Mitogen-activated protein kinase 10 (Homo sapiens (Human)) | BDBM42715 (3-(4-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}b...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 8.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2KK996K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
heat shock protein 90 (Candida albicans) | BDBM42715 (3-(4-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}b...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >1.50E+5 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, stress response Primary Collaborators: Susan Lindquist, Whitehead Insti... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2H41PWZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
heat shock protein 90 (Candida albicans) | BDBM42715 (3-(4-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}b...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 3.25E+3 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q26M358G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
heat shock protein 90 (Candida albicans) | BDBM42715 (3-(4-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}b...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >1.50E+5 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, stress response Assay Overview: Method for determining if compound acts as Hsp90 inh... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2V986HQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
calcineurin A1, putative (Candida dubliniensis CD36) | BDBM42715 (3-(4-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}b...) | PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.80E+5 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Keywords: Candida albicans, drug resistance, Fluconazole, calcineurin, stress response Assay Overview: Method for determining if compound acts as Ca... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2CC0Z46 | |||||||||||
More data for this Ligand-Target Pair |