BDBM79657 MLS000121109::N-(3-Cyano-4,5-dimethyl-thiophen-2-yl)-2-(5-isopropyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide::N-(3-cyano-4,5-dimethyl-2-thienyl)-2-[(5-isopropyl-4-methyl-1,2,4-triazol-3-yl)thio]acetamide::N-(3-cyano-4,5-dimethyl-2-thiophenyl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]acetamide::N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide::N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide::SMR000118594::cid_855191
SMILES: CC(C)c1nnc(SCC(=O)Nc2sc(C)c(C)c2C#N)n1C
InChI Key: InChIKey=IKWKFZMCHJLITB-UHFFFAOYSA-N
Data: 1 EC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Tropomyosin alpha-1 chain (Sus scrofa) | BDBM79657 (MLS000121109 | N-(3-Cyano-4,5-dimethyl-thiophen-2-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | >7.15E+4 | 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) Affiliation: The Scripps Research Institute, TSRI Assa... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q21N7ZKB | |||||||||||
More data for this Ligand-Target Pair |