BDBM44205 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-(4-hydroxy-pyrimidin-2-ylsulfanyl)-ethanone::2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-6-one::2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one::2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-1H-pyrimidin-6-one::2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-1H-pyrimidin-6-one::MLS000123496::SMR000124078::cid_1166770

SMILES O=C(CSc1nccc(=O)[nH]1)N1CCc2ccccc2C1

InChI Key InChIKey=SMXUDIJMNQCSNF-UHFFFAOYSA-N

Data  2 IC50  4 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 44205   

TargetSolute carrier family 12 member 5(Human)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandPNGBDBM44205(SMR000124078 | 2-[[2-(3,4-dihydro-1H-isoquinolin-2...)
Affinity DataEC50:  9.12E+3nMAssay Description:Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/25/2011
Entry Details
PCBioAssay
TargetSolute carrier family 12 member 5(Human)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandPNGBDBM44205(SMR000124078 | 2-[[2-(3,4-dihydro-1H-isoquinolin-2...)
Affinity DataEC50:  1.71E+4nMAssay Description:Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/29/2011
Entry Details
PCBioAssay
TargetGuanine nucleotide-binding protein subunit alpha-15(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM44205(SMR000124078 | 2-[[2-(3,4-dihydro-1H-isoquinolin-2...)
Affinity DataEC50: >2.99E+4nMMore 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
LigandPNGBDBM44205(SMR000124078 | 2-[[2-(3,4-dihydro-1H-isoquinolin-2...)
Affinity DataIC50: 1.03E+4nMMore 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
LigandPNGBDBM44205(SMR000124078 | 2-[[2-(3,4-dihydro-1H-isoquinolin-2...)
Affinity DataEC50:  1.97E+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
LigandPNGBDBM44205(SMR000124078 | 2-[[2-(3,4-dihydro-1H-isoquinolin-2...)
Affinity DataIC50: 2.99E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay