BDBM79645 1-(2,5-dimethylphenyl)-2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]ethanone::1-(2,5-dimethylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone::1-(2,5-dimethylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]ethanone::MLS000056417::SMR000067398::cid_2096720

SMILES: CC(C)c1nnc(SCC(=O)c2cc(C)ccc2C)[nH]1

InChI Key: InChIKey=JRHMYNIGSHCHMJ-UHFFFAOYSA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 79645   

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)	BDBM79645 (1-(2,5-dimethylphenyl)-2-[(5-isopropyl-1H-1,2,4-tr...) Show SMILES CC(C)c1nnc(SCC(=O)c2cc(C)ccc2C)[nH]1 Show InChI InChI=1S/C15H19N3OS/c1-9(2)14-16-15(18-17-14)20-8-13(19)12-7-10(3)5-6-11(12)4/h5-7,9H,8H2,1-4H3,(H,16,17,18)	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