BDBM48977 2-(butan-2-ylthio)-3-methyl-5H-pyrimido[5,4-b]indol-4-one::2-butan-2-ylsulfanyl-3-methyl-5H-pyrimido[5,4-b]indol-4-one::3-methyl-2-(sec-butylthio)-5H-pyrimid[5,4-b]indol-4-one::MLS000101323::SMR000018491::cid_3254362

SMILES CCC(C)Sc1nc2c3ccccc3[nH]c2c(=O)n1C

InChI Key InChIKey=BQVFSSLPCMGBHL-UHFFFAOYSA-N

Data  2 IC50  3 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 5 hits for monomerid = 48977   

TargetD(1B) dopamine receptor(Homo sapiens (Human))
Vanderbilt Screening Center For Gpcrs, Ion Channels And Transporters

Curated by PubChem BioAssay
LigandPNGBDBM48977(2-(butan-2-ylthio)-3-methyl-5H-pyrimido[5,4-b]indo...)
Affinity DataEC50:  0.00836nMAssay Description:Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetD(1A) dopamine receptor(Homo sapiens (Human))
Vanderbilt Screening Center For Gpcrs, Ion Channels And Transporters

Curated by PubChem BioAssay
LigandPNGBDBM48977(2-(butan-2-ylthio)-3-methyl-5H-pyrimido[5,4-b]indo...)
Affinity DataEC50:  0.0125nMAssay Description:Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetNuclear hormone receptor family member daf-12(Caenorhabditis elegans)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM48977(2-(butan-2-ylthio)-3-methyl-5H-pyrimido[5,4-b]indo...)
Affinity DataIC50:  6.75E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM48977(2-(butan-2-ylthio)-3-methyl-5H-pyrimido[5,4-b]indo...)
Affinity DataIC50:  6.75E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetHeat shock factor protein 1(Mus musculus)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM48977(2-(butan-2-ylthio)-3-methyl-5H-pyrimido[5,4-b]indo...)
Affinity DataEC50: >2.60E+5nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay