BDBM41198 2-[[5-[(4-fluoroanilino)methyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone::2-[[5-[(4-fluoroanilino)methyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone::2-[[5-[(4-fluoroanilino)methyl]-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone::2-[[5-[[(4-fluorophenyl)amino]methyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone::2-{5-[(4-Fluoro-phenylamino)-methyl]-4-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl}-1-pyrrolidin-1-yl-ethanone::MLS000073373::SMR000001718::cid_650597
SMILES: Cc1ccc(cc1)-n1c(CNc2ccc(F)cc2)nnc1SCC(=O)N1CCCC1
InChI Key: InChIKey=FOOMCTDSZFNSOW-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
RNA polymerase beta subunit (EC 2.7.7.6) (Escherichia coli) | BDBM41198 (2-[[5-[(4-fluoroanilino)methyl]-4-(4-methylphenyl)...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
PCMD Curated by PubChem BioAssay | Assay Description Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q23N21T1 | |||||||||||
More data for this Ligand-Target Pair |