BDBM76427 MLS000326042::N'-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-(3-nitropyridin-2-yl)ethane-1,2-diamine::N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-nitro-2-pyridinyl)ethane-1,2-diamine::N'-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(3-nitropyridin-2-yl)ethane-1,2-diamine::N~1~-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N~2~-(3-nitro-2-pyridinyl)-1,2-ethanediamine::SMR000170132::[3-chloro-5-(trifluoromethyl)-2-pyridyl]-[2-[(3-nitro-2-pyridyl)amino]ethyl]amine::cid_3773884
SMILES: [O-][N+](=O)c1cccnc1NCCNc1ncc(cc1Cl)C(F)(F)F
InChI Key: InChIKey=ZVZGCHWOUJKNOM-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
SUMO/sentrin specific peptidase family member 8 (Homo sapiens (Human)) | BDBM76427 (MLS000326042 | N'-[3-chloranyl-5-(trifluoromethyl)...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.33E+4 | 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, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MS3R7H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Oxysterols receptor LXR-beta (Homo sapiens (Human)) | BDBM76427 (MLS000326042 | N'-[3-chloranyl-5-(trifluoromethyl)...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 6.75E+4 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,... | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2ZP44SP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-3 (Homo sapiens (Human)) | BDBM76427 (MLS000326042 | N'-[3-chloranyl-5-(trifluoromethyl)...) | 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 | 2.87E+4 | 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, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2RJ4GZT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
SUMO-1-specific protease (Homo sapiens (Human)) | BDBM76427 (MLS000326042 | N'-[3-chloranyl-5-(trifluoromethyl)...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.91E+4 | 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, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q27H1H10 | |||||||||||
More data for this Ligand-Target Pair |