BDBM47873 2-chloranyl-N-(1-ethanoylindol-3-yl)-N-(4-nitrophenyl)ethanamide::MLS001029454::N-(1-Acetyl-1H-indol-3-yl)-2-chloro-N-(4-nitro-phenyl)-acetamide::N-(1-acetyl-3-indolyl)-2-chloro-N-(4-nitrophenyl)acetamide::N-(1-acetylindol-3-yl)-2-chloro-N-(4-nitrophenyl)acetamide::SMR000425527::cid_3473830
SMILES: CC(=O)n1cc(N(C(=O)CCl)c2ccc(cc2)[N+]([O-])=O)c2ccccc12
InChI Key: InChIKey=BCTFKVRWPMIDNA-UHFFFAOYSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3C-like protease (Avian infectious bronchitis virus) | BDBM47873 (2-chloranyl-N-(1-ethanoylindol-3-yl)-N-(4-nitrophe...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.08E+4 | n/a | n/a | 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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q29K48NM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
putative hexokinase HKDC1 (Homo sapiens (Human)) | BDBM47873 (2-chloranyl-N-(1-ethanoylindol-3-yl)-N-(4-nitrophe...) | GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 8.00E+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/Q23F4N3R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
putative hexokinase HKDC1 (Homo sapiens (Human)) | BDBM47873 (2-chloranyl-N-(1-ethanoylindol-3-yl)-N-(4-nitrophe...) | GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.70E+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/Q2W094D4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA recombination protein RecA (Mycobacterium tuberculosis H37Rv) | BDBM47873 (2-chloranyl-N-(1-ethanoylindol-3-yl)-N-(4-nitrophe...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Research Specialized Biocontainment Screening Center Curated by PubChem BioAssay | Assay Description Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q26H4FW6 | |||||||||||
More data for this Ligand-Target Pair |