BDBM50400509 CHEMBL2203397

SMILES C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5cccc(c5)C(=O)N)CCBr

InChI Key InChIKey=LSFSILMVQQMGRP-UHFFFAOYSA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50400509   

LigandPNGBDBM50400509(CHEMBL2203397)
Affinity DataIC50: 68nMAssay Description:Inhibition of 17beta-HSD1 in human T47D cells assessed as decrease in transformation of [14C]estrone to [14C]-estradiol after 24 hrs by thin layer ch...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 3A4(Human)
Laval University

Curated by ChEMBL
LigandPNGBDBM50400509(CHEMBL2203397)
Affinity DataIC50: 3.90E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin) by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2020
Entry Details Article
PubMed
LigandPNGBDBM50400509(CHEMBL2203397)
Affinity DataIC50: 97nMAssay Description:Inhibition of 17-beta HSD1 in human T47D cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50400509(CHEMBL2203397)
Affinity DataIC50: 68nMAssay Description:Inhibition of 17-beta HSD1 in human T47D cells assessed as transformation of [14C]E1 to [14C]E2 after 24 hrs by thin layer chromatographyMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)