BDBM25817 2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol::CHEMBL106::Diflucan::Fluconazole::Fluconazole (f)::Fungata::Triflucan::US10221160, Fluconazole::US9138393, Fluconazole::US9144538, Fluconazole::US9221791, Fluconazole::US9556143, Fluconazole::cid_3365
SMILES: OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F
InChI Key: InChIKey=RFHAOTPXVQNOHP-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sterol 14-alpha demethylase (CYP51) (Trypanosoma cruzi) | BDBM25817![]() (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | 230 | n/a | n/a | n/a | 6.0 | n/a |
Vanderbilt University | Assay Description Azole derivatives used as an inhibitor of TB and TC CYP51. | Chem Biol 14: 1283-93 (2007) Article DOI: 10.1016/j.chembiol.2007.10.011 BindingDB Entry DOI: 10.7270/Q22J69B7 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Bcl-2-like protein 11 (Homo sapiens (Human)) | BDBM25817![]() (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | >3.50E+5 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q24J0CKJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Heme Oxygenase 2 (HO-2) (Rattus norvegicus (rat)) | BDBM25817![]() (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Queen's University | Assay Description HO activity in rat spleen (HO-1) and brain (HO-2) microsomal fractions was determined by the quantitation of CO formed from the degradation of methem... | J Pharmacol Exp Ther 319: 277-84 (2006) Article DOI: 10.1124/jpet.106.102699 BindingDB Entry DOI: 10.7270/Q2HH6HD9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 51(CYP51) (Mycobacterium tuberculosis) | BDBM25817![]() (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | PDB MMDB KEGG B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | 7.5 | 37 |
University of California San Francisco | Assay Description The assay was developed based on the optical spectral property of P450 enzyme to elicit both type I and type II spectral changes (350 nm through 450 ... | Antimicrob Agents Chemother 51: 3915-23 (2007) Article DOI: 10.1128/AAC.00311-07 BindingDB Entry DOI: 10.7270/Q20V8B3R | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Heme Oxygenase 1 (HO-1) (Rattus norvegicus (rat)) | BDBM25817![]() (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 8.00E+4 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Queen's University | Assay Description HO activity in rat spleen (HO-1) and brain (HO-2) microsomal fractions was determined by the quantitation of CO formed from the degradation of methem... | J Pharmacol Exp Ther 319: 277-84 (2006) Article DOI: 10.1124/jpet.106.102699 BindingDB Entry DOI: 10.7270/Q2HH6HD9 | |||||||||||
More data for this Ligand-Target Pair |
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