BDBM96602 2-({2-[2,5-dimethyl-1-(2-phenylethyl)-1H-pyrrol-3-yl]-2-oxoethyl}thio)-4,6-dimethylnicotinonitrile::2-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile::2-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile::2-[[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-4,6-dimethyl-nicotinonitrile::2-[[2-[2,5-dimethyl-1-(2-phenylethyl)-3-pyrrolyl]-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile::MLS000535539::SMR000142975::cid_2132437

SMILES Cc1cc(C(=O)CSc2nc(C)cc(C)c2C#N)c(C)n1CCc1ccccc1

InChI Key InChIKey=UBQAOWYMFYCIIJ-UHFFFAOYSA-N

Data  2 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 96602   

TargetTrace amine-associated receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM96602(MLS000535539 | cid_2132437 | 2-({2-[2,5-dimethyl-1...)
Affinity DataEC50:  1.15E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay
TargetTrace amine-associated receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM96602(MLS000535539 | cid_2132437 | 2-({2-[2,5-dimethyl-1...)
Affinity DataIC50: 4.68E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay
TargetGuanine nucleotide-binding protein subunit alpha-15(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM96602(MLS000535539 | cid_2132437 | 2-({2-[2,5-dimethyl-1...)
Affinity DataIC50: 2.99E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay
TargetGuanine nucleotide-binding protein subunit alpha-15(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM96602(MLS000535539 | cid_2132437 | 2-({2-[2,5-dimethyl-1...)
Affinity DataEC50: >2.99E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay