BDBM40684 3-(2-Chloro-acetyl)-8-methyl-1,2,3,3a,4,5-hexahydro-3,10b-diaza-acephenanthrylen-6-one::MLS000554116::SMR000146433::cid_3557499

SMILES Cc1ccc2n3CCN(C4CCc(c34)c(=O)c2c1)C(=O)CCl

InChI Key InChIKey=OUTWDXPGWJBTIY-UHFFFAOYSA-N

Data  6 IC50

  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 6 hits for monomerid = 40684   

TargetNuclear receptor subfamily 4 group A member 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM40684(3-(2-Chloro-acetyl)-8-methyl-1,2,3,3a,4,5-hexahydr...)
Affinity DataIC50:  1.14E+4nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetEstrogen receptor beta(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM40684(3-(2-Chloro-acetyl)-8-methyl-1,2,3,3a,4,5-hexahydr...)
Affinity DataIC50:  348nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCaspase-3(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM40684(3-(2-Chloro-acetyl)-8-methyl-1,2,3,3a,4,5-hexahydr...)
Affinity DataIC50:  1.40E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSentrin-specific protease 8(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM40684(3-(2-Chloro-acetyl)-8-methyl-1,2,3,3a,4,5-hexahydr...)
Affinity DataIC50:  1.42E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSentrin-specific protease 6(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM40684(3-(2-Chloro-acetyl)-8-methyl-1,2,3,3a,4,5-hexahydr...)
Affinity DataIC50:  8.69E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetEstrogen receptor beta(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM40684(3-(2-Chloro-acetyl)-8-methyl-1,2,3,3a,4,5-hexahydr...)
Affinity DataIC50:  8.75E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay