BDBM96812 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-6-oxidanyl-1-propyl-pyrimidin-4-one::2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-6-hydroxy-1-propylpyrimidin-4-one::2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-6-hydroxy-1-propyl-pyrimidin-4-one::2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-6-hydroxy-1-propyl-4-pyrimidinone::MLS002245943::SMR000838792::cid_4788237

SMILES CCCn1c(SCC(=O)N2CCc3ccccc3C2)nc(O)cc1=O

InChI Key InChIKey=MGYOITUKKFRVQC-UHFFFAOYSA-N

Data  2 IC50  2 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 4 hits for monomerid = 96812   

TargetGuanine nucleotide-binding protein subunit alpha-15(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM96812(2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanyli...)
Affinity DataEC50: >2.99E+4nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetGuanine nucleotide-binding protein subunit alpha-15(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM96812(2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanyli...)
Affinity DataIC50: >2.99E+4nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetTrace amine-associated receptor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM96812(2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanyli...)
Affinity DataEC50:  1.94E+3nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetTrace amine-associated receptor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM96812(2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanyli...)
Affinity DataIC50:  1.24E+4nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay