null
SMILES: CC1CCC(CC1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1
InChI Key: InChIKey=ICFUCABJWQGTGU-UHFFFAOYSA-N
PDB links: 1 PDB ID matches this monomer.
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 (Trypanosoma cruzi) | BDBM29342 (ChemDiv C155-0123, 9) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | 240 | n/a | n/a | n/a | 7.4 | 24 |
Vanderbilt University | Assay Description As a cysteine-coordinated hemoprotein, sterol 14-alpha-demethylase responds spectrally to any perturbations in the area surrounding the heme iron. Th... | J Med Chem 52: 2846-53 (2009) Article DOI: 10.1021/jm801643b BindingDB Entry DOI: 10.7270/Q2MP51MG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steroid C26-monooxygenase (Mycobacterium tuberculosis) | BDBM29342 (ChemDiv C155-0123, 9) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | n/a | 1.68E+3 | n/a | n/a | n/a | n/a | n/a |
University of California San Francisco Curated by ChEMBL | Assay Description Binding affinity to Mycobacterium tuberculosis H37Rv CYP125A1 C429L mutant expressed in Escherichia coli by titration plot analysis | Bioorg Med Chem Lett 21: 332-7 (2011) Article DOI: 10.1016/j.bmcl.2010.11.007 BindingDB Entry DOI: 10.7270/Q2S18597 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Sterol 14-alpha demethylase (Trypanosoma cruzi) | BDBM29342 (ChemDiv C155-0123, 9) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Binding affinity to Trypanosoma cruzi sterol 14alpha-demethylase by UV-Spectrophotometry | Antimicrob Agents Chemother 54: 2480-8 (2010) Article DOI: 10.1128/AAC.00281-10 BindingDB Entry DOI: 10.7270/Q2R49QZG | |||||||||||
More data for this Ligand-Target Pair |