BDBM33111 4,4,4-Trichloro-3-methylamino-1-(4-nitro-phenyl)-butan-1-one::4,4,4-trichloro-3-(methylamino)-1-(4-nitrophenyl)-1-butanone::4,4,4-trichloro-3-(methylamino)-1-(4-nitrophenyl)butan-1-one::4,4,4-tris(chloranyl)-3-(methylamino)-1-(4-nitrophenyl)butan-1-one::MLS000590271::SMR000217256::cid_3739292
SMILES: CNC(CC(=O)c1ccc(cc1)[N+]([O-])=O)C(Cl)(Cl)Cl
InChI Key: InChIKey=FQIHYTIJLIRZDF-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Bcl-2-related protein A1 (Homo sapiens (Human)) | BDBM33111 (4,4,4-Trichloro-3-methylamino-1-(4-nitro-phenyl)-b...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 470 | n/a | n/a | 7.4 | 4 |
NMMLSC Curated by PubChem BioAssay | Assay Description The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2CN728N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bcl-2-related protein A1 (Homo sapiens (Human)) | BDBM33111 (4,4,4-Trichloro-3-methylamino-1-(4-nitro-phenyl)-b...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 3.97E+3 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2HQ3XCR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
RPL19A (Saccharomyces cerevisiae) | BDBM33111 (4,4,4-Trichloro-3-methylamino-1-(4-nitro-phenyl)-b...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 6.59E+3 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2JQ0ZGP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 6 (CCR6) (Homo sapiens (Human)) | BDBM33111 (4,4,4-Trichloro-3-methylamino-1-(4-nitro-phenyl)-b...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 2.15E+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, CA... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q20P0XHD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
LAP4 (Saccharomyces cerevisiae) | BDBM33111 (4,4,4-Trichloro-3-methylamino-1-(4-nitro-phenyl)-b...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 1.34E+3 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q21R6P02 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-galactosidase (Escherichia coli) | BDBM33111 (4,4,4-Trichloro-3-methylamino-1-(4-nitro-phenyl)-b...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | >6.66E+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 (2011) BindingDB Entry DOI: 10.7270/Q2NG4P4X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
MEP2 (Saccharomyces cerevisiae) | BDBM33111 (4,4,4-Trichloro-3-methylamino-1-(4-nitro-phenyl)-b...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 2.28E+3 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2F18X5F | |||||||||||
More data for this Ligand-Target Pair |