BDBM50296947 16-{[(2-Methylamino)pyrimidin-5-yl]methylidene}-17beta-hydroxy-4-methyl-4-aza-5alpha-androst-1-en-3-one::CHEMBL563597

SMILES CNc1ncc(\C=C2/C[C@H]3[C@@H]4CC[C@H]5N(C)C(=O)C=C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cn1

InChI Key InChIKey=MOOQXTUPPQCLBO-UHFFFAOYSA-N

Data  1 KI  1 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50296947   

TargetAndrogen receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50296947(16-{[(2-Methylamino)pyrimidin-5-yl]methylidene}-17...)
Affinity DataIC50: 31nMAssay Description:Displacement of [3H]methyltrienolone from androgen receptor in human MDA-MB-453 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed
TargetAndrogen receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50296947(16-{[(2-Methylamino)pyrimidin-5-yl]methylidene}-17...)
Affinity DataEC50:  5nMAssay Description:Agonist activity at androgen receptor in human MDA-MB-453 cells transfected with MMTV-LUC assessed as induction of MMTV-LTR/promoter linked LUC gene ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50296947(16-{[(2-Methylamino)pyrimidin-5-yl]methylidene}-17...)
Affinity DataKi:  2.25E+4nMAssay Description:Binding affinity to human ERG potassium channelMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed