BDBM84220 MLS000538530::N-[2-(4-allyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]thio}-4H-1,2,4-triazol-3-yl)ethyl]-2-thiophenecarboxamide::N-[2-[4-allyl-5-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide::N-[2-[5-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide::N-[2-[5-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide::N-[2-[5-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]-2-thiophenecarboxamide::SMR000144567::cid_2231941

SMILES [O-][N+](=O)c1cccc(c1)C(=O)CSc1nnc(CCNC(=O)c2cccs2)n1CC=C

InChI Key InChIKey=GHYKGSRSTVMMLM-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 84220   

TargetBeta-2 adrenergic receptor(Homo sapiens (Human))
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM84220(MLS000538530 | N-[2-(4-allyl-5-{[2-(3-nitrophenyl)...)
Affinity DataEC50:  133nMAssay Description:University of New Mexico Assay Overview: Assay Support: R03 MH093192-01 Project Title: HTS for Non-Canonical Ligands for Beta 2 Adrenergic Receptor...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay