BDBM44491 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-cyano-7,7-dimethyl-5-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-6H-1-benzothiophen-2-yl]acetamide::2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[3-cyano-7,7-dimethyl-5-[(E)-2-(3-methyl-2-thienyl)vinyl]-6H-benzothiophen-2-yl]acetamide::2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[3-cyano-7,7-dimethyl-5-[(E)-2-(3-methyl-2-thiophenyl)ethenyl]-6H-1-benzothiophen-2-yl]acetamide::2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-cyano-7,7-dimethyl-5-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-6H-1-benzothiophen-2-yl]ethanamide::MLS000565614::SMR000152745::cid_2083967

SMILES Cc1ccsc1\C=C\C1=Cc2c(C#N)c(NC(=O)CSc3nnc(N)[nH]3)sc2C(C)(C)C1

InChI Key InChIKey=DYRANOVEYJCRQD-SNAWJCMRSA-N

Data  2 IC50

  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 2 hits for monomerid = 44491   

TargetEphrin type-A receptor 4(Mouse)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM44491(2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-c...)
Affinity DataIC50: >5.00E+4nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetEphrin type-A receptor 4(Mouse)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM44491(2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-c...)
Affinity DataIC50:  3.15E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay