BDBM79071 4-Amino-isothiazole-3,5-dicarboxylic acid 3-amide 5-((2,3-dihydro-benzo[1,4]dioxin-6-yl)-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-p-tolyl-methyl}-amide)::4-amino-5-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-N-[1-(4-methylphenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,2-thiazole-3,5-dicarboxamide::4-amino-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-keto-1-(p-tolyl)-2-(tetrahydrofurfurylamino)ethyl]isothiazole-3,5-dicarboxamide::4-amino-N5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N5-[1-(4-methylphenyl)-2-oxo-2-(2-oxolanylmethylamino)ethyl]isothiazole-3,5-dicarboxamide::4-azanyl-N5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N5-[1-(4-methylphenyl)-2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]-1,2-thiazole-3,5-dicarboxamide::MLS001221856::SMR000599933::cid_3180863

SMILES Cc1ccc(cc1)C(N(C(=O)c1snc(C(N)=O)c1N)c1ccc2OCCOc2c1)C(=O)NCC1CCCO1

InChI Key InChIKey=LEEGEPYAIONGQW-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 79071   

TargetBcl-2-related protein A1(Mus musculus (Mouse))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM79071(4-Amino-isothiazole-3,5-dicarboxylic acid 3-amide ...)
Affinity DataIC50: >2.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetUbiquitin-conjugating enzyme E2 N(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM79071(4-Amino-isothiazole-3,5-dicarboxylic acid 3-amide ...)
Affinity DataIC50:  1.31E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetUbiquitin-conjugating enzyme E2 N(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM79071(4-Amino-isothiazole-3,5-dicarboxylic acid 3-amide ...)
Affinity DataIC50:  1.26E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay