BDBM40022 MLS000085771::N-(2-{[2-(cyclopropylamino)-2-oxoethyl]thio}-1,3-benzothiazol-6-yl)-2-[(1-methyl-1H-imidazol-2-yl)thio]acetamide::N-[2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide::N-[2-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide::N-[2-[[2-(cyclopropylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-2-[(1-methylimidazol-2-yl)thio]acetamide::N-[2-[[2-(cyclopropylamino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-2-[(1-methyl-2-imidazolyl)thio]acetamide::SMR000020900::cid_3239187

SMILES Cn1ccnc1SCC(=O)Nc1ccc2nc(SCC(=O)NC3CC3)sc2c1

InChI Key InChIKey=JUDTVKIVKQBWIR-UHFFFAOYSA-N

Data  5 IC50  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 6 hits for monomerid = 40022   

TargetEstrogen receptor(Homo sapiens (Human))
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM40022(MLS000085771 | N-(2-{[2-(cyclopropylamino)-2-oxoet...)
Affinity DataEC50:  24.3nMAssay Description:University of New Mexico Assay Overview: Assay Support: 1X01 MH077627-01 Assay for Ligands of GPR30 and Classical Estrogen Receptors PI: Eric Prossni...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetEstrogen receptor(Homo sapiens (Human))
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM40022(MLS000085771 | N-(2-{[2-(cyclopropylamino)-2-oxoet...)
Affinity DataIC50:  2.57E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM40022(MLS000085771 | N-(2-{[2-(cyclopropylamino)-2-oxoet...)
Affinity DataIC50:  5.96E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM40022(MLS000085771 | N-(2-{[2-(cyclopropylamino)-2-oxoet...)
Affinity DataIC50:  5.96E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM40022(MLS000085771 | N-(2-{[2-(cyclopropylamino)-2-oxoet...)
Affinity DataIC50:  9.00E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM40022(MLS000085771 | N-(2-{[2-(cyclopropylamino)-2-oxoet...)
Affinity DataIC50:  2.99E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay