BDBM39112 2-[(4-amino-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)acetamide::2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)acetamide::2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)acetamide::2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)acetamide::2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)ethanamide::MLS000088958::SMR000073222::cid_2192997

SMILES Nc1cc(=O)[nH]c(SCC(=O)Nc2sc3CCCCCCc3c2C#N)n1

InChI Key InChIKey=ZSJZMRMJGIXWMO-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 = 39112   

TargetIsoform 2 of Nuclear receptor ROR-alpha (Alpha-2)(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM39112(2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3...)
Affinity DataIC50: 1.63E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2011
Entry Details
PCBioAssay
TargetSteroidogenic factor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM39112(2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3...)
Affinity DataIC50: 1.46E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2011
Entry Details
PCBioAssay
TargetSolute carrier family 12 member 5(Human)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandPNGBDBM39112(2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3...)
Affinity DataEC50:  461nMAssay 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
LigandPNGBDBM39112(2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3...)
Affinity DataEC50:  2.33E+5nMAssay 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