BDBM71076 1,1,3-trimethyl-N-[(E)-1-(methylthio)-2-nitroethenyl]-2,3-dihydroinden-4-amine::1,1,3-trimethyl-N-[(E)-1-methylsulfanyl-2-nitro-ethenyl]-2,3-dihydroinden-4-amine::1,1,3-trimethyl-N-[(E)-1-methylsulfanyl-2-nitroethenyl]-2,3-dihydroinden-4-amine::MLS000755780::N-[(E)-1-(methylsulfanyl)-2-nitroethenyl]-N-(1,1,3-trimethyl-2,3-dihydro-1H-inden-4-yl)amine::SMR000337443::[(E)-1-(methylthio)-2-nitro-vinyl]-(1,1,3-trimethylindan-4-yl)amine::cid_16195208
SMILES: CS\C([CH-][N+]([O-])=O)=[NH+]/c1cccc2c1C(C)CC2(C)C
InChI Key: InChIKey=WUMAXROOVMFLPQ-SSZFMOIBSA-O
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
MSRA protein (Bos taurus) | BDBM71076 (1,1,3-trimethyl-N-[(E)-1-(methylthio)-2-nitroethen...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 4.48E+4 | 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/Q2639NCQ | ||||||||||||
More data for this Ligand-Target Pair |