BDBM97164 MLS002159131::N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline::N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline::N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroaniline::SMR001241592::cid_16306739::methyl-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]-veratryl-amine
SMILES: COc1ccc(CN(C)c2ccc(cc2[N+]([O-])=O)S(=O)(=O)N2CCN(C)CC2)cc1OC
InChI Key: InChIKey=YPTLBORUSUHUOA-UHFFFAOYSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
COUP transcription factor 2 isoform a (Homo sapiens (Human)) | BDBM97164 (MLS002159131 | N-[(3,4-dimethoxyphenyl)methyl]-N-m...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 2.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q21Z431S | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha trans-inducing protein (VP16) (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...) | BDBM97164 (MLS002159131 | N-[(3,4-dimethoxyphenyl)methyl]-N-m...) | MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 8.54E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide... | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2GM85ZT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Galanin receptor 3 (Homo sapiens (Human)) | BDBM97164 (MLS002159131 | N-[(3,4-dimethoxyphenyl)methyl]-N-m...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 419 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q270802Q | ||||||||||||
More data for this Ligand-Target Pair |