BDBM78181 (E)-3-(3-Benzotriazol-1-ylmethyl-4-methoxy-phenyl)-1-phenyl-propenone::(E)-3-[3-(1-benzotriazolylmethyl)-4-methoxyphenyl]-1-phenyl-2-propen-1-one::(E)-3-[3-(benzotriazol-1-ylmethyl)-4-methoxy-phenyl]-1-phenyl-prop-2-en-1-one::(E)-3-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]-1-phenylprop-2-en-1-one::MLS000589828::SMR000217110::cid_6184004
SMILES: COc1ccc(\C=C\C(=O)c2ccccc2)cc1Cn1nnc2ccccc12
InChI Key: InChIKey=TWOMASWBGWYCSC-ACCUITESSA-N
Data: 2 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TPA: Essential component of the Translocase of the Inner Mitochondrial membrane (TIM23 complex) (Saccharomyces cerevisiae S288c) | BDBM78181![]() ((E)-3-(3-Benzotriazol-1-ylmethyl-4-methoxy-phenyl)...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 7.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q26D5RGW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
TPA: Essential protein of the mitochondrial intermembrane space (Saccharomyces cerevisiae S288c) | BDBM78181![]() ((E)-3-(3-Benzotriazol-1-ylmethyl-4-methoxy-phenyl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2F18X6W | |||||||||||
More data for this Ligand-Target Pair |