BDBM44936 4-Chloro-benzoic acid N'-[2-(2,2,2-trifluoro-acetyl)-cyclopent-1-enyl]-hydrazide::4-chloranyl-N'-[2-[2,2,2-tris(fluoranyl)ethanoyl]cyclopenten-1-yl]benzohydrazide::4-chloro-N'-[2-(2,2,2-trifluoro-1-oxoethyl)-1-cyclopentenyl]benzohydrazide::4-chloro-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide::MLS000595382::SMR000149905::cid_3147001
SMILES: FC(F)(F)C(=O)C1=C(CCC1)NNC(=O)c1ccc(Cl)cc1
InChI Key: InChIKey=KWYQMJJMKCEKEE-UHFFFAOYSA-N
Data: 4 EC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human)) | BDBM44936 (4-Chloro-benzoic acid N'-[2-(2,2,2-trifluoro-a...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a |
SRMLSC Curated by PubChem BioAssay | Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
calcineurin A1, putative (Candida dubliniensis CD36) | BDBM44936 (4-Chloro-benzoic acid N'-[2-(2,2,2-trifluoro-a...) | PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.35E+4 | 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/Q2ZP44K0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
heat shock protein 90 (Candida albicans) | BDBM44936 (4-Chloro-benzoic acid N'-[2-(2,2,2-trifluoro-a...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 2.96E+4 | 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/Q2GM85R4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
heat shock protein 90 (Candida albicans) | BDBM44936 (4-Chloro-benzoic acid N'-[2-(2,2,2-trifluoro-a...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 6.84E+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/Q2MC8XGG | |||||||||||
More data for this Ligand-Target Pair |