BDBM40669 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethoxy]-8-methoxy-benzo[c]chromen-6-one::3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]-8-methoxy-benzo[c]chromen-6-one::3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-8-methoxy-6-benzo[c][1]benzopyranone::3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-8-methoxybenzo[c]chromen-6-one::3-[2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethoxy]-8-methoxy-6H-benzo[c]chromen-6-one::MLS000594187::SMR000143205::cid_1289928

SMILES COc1ccc2c3ccc(OCC(=O)N4CCc5ccccc5C4)cc3oc(=O)c2c1

InChI Key InChIKey=OPBXSGXOIUKMES-UHFFFAOYSA-N

Data  4 IC50

  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 4 hits for monomerid = 40669   

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

Curated by PubChem BioAssay
LigandPNGBDBM40669(3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-etho...)
Affinity DataIC50:  2.98E+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
TargetCarboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM40669(3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-etho...)
Affinity DataIC50:  2.90E+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
LigandPNGBDBM40669(3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-etho...)
Affinity DataIC50:  5.00E+4nMAssay 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
TargetEstrogen receptor beta(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM40669(3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-etho...)
Affinity DataIC50:  5.58E+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