BDBM696513 Synthesis of (6aR,6bS,7S,8aS,8bS,10R,11aR,12aS,12bS)-10-(4-((7-amino-2,3-dihydrobenzofuran-5-yl)methyl)phenyl)-7-hydroxy-8b-(2-hydroxyacetyl)-6a,8a-dimethyl-6a,6b,7,8,8a,8b,11a,12,12a,12b-decahydro-1H-naphtho[2′,1′:4,5]indeno[1,2-d][1,3]dioxolan-4(2H)-one ::US20240307415, Compound 009

SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2cc3CCOc3c(N)c2)cc1

InChI Key InChIKey=ZVAPHQJXWVMSSS-UHFFFAOYSA-N

Data  2 IC50  4 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 6 hits for monomerid = 696513   

TargetGlucocorticoid receptor(Human)
Jiangsu Simcere Pharmaceutical

US Patent
LigandPNGBDBM696513(Synthesis of (6aR,6bS,7S,8aS,8bS,10R,11aR,12aS,12b...)
Affinity DataEC50:  20.2nMAssay Description:The binding activity of the compound to GR was determined using the Polarscreen Glucocorticoid Receptor Assay Kit, Red (brand: Thermo, Cat. No: A1589...More data for this Ligand-Target Pair
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Date in BDB:
1/16/2025
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TargetSteroid hormone receptor ERR1(Human)
Jiangsu Simcere Pharmaceutical

US Patent
LigandPNGBDBM696513(Synthesis of (6aR,6bS,7S,8aS,8bS,10R,11aR,12aS,12b...)
Affinity DataEC50:  427nMAssay Description:The binding activity of the compound to ER was determined using the LanthaScreen TR-FRET ER Alpha Coactivator Assay kit (brand: Thermo, Cat. No: A158...More data for this Ligand-Target Pair
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In Depth
Date in BDB:
1/16/2025
Entry Details
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TargetAndrogen receptor(Human)
Jiangsu Simcere Pharmaceutical

US Patent
LigandPNGBDBM696513(Synthesis of (6aR,6bS,7S,8aS,8bS,10R,11aR,12aS,12b...)
Affinity DataEC50: >3.00E+4nMAssay Description:The binding activity of the compound to AR was determined using the LanthaScreen TR-FRET Androgen Receptor Coactivator Assay kit (brand: Thermo, Cat....More data for this Ligand-Target Pair
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In Depth
Date in BDB:
1/16/2025
Entry Details
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TargetProgesterone receptor(Human)
Jiangsu Simcere Pharmaceutical

US Patent
LigandPNGBDBM696513(Synthesis of (6aR,6bS,7S,8aS,8bS,10R,11aR,12aS,12b...)
Affinity DataEC50: >3.00E+4nMAssay Description:The binding activity of the compound to PR was determined using the LanthaScreen TR-FRET Progesterone Receptor Coactivator Assay kit (brand: Thermo, ...More data for this Ligand-Target Pair
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Date in BDB:
1/16/2025
Entry Details
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TargetCytochrome P450 2C9(Human)
Jiangsu Simcere Pharmaceutical

US Patent
LigandPNGBDBM696513(Synthesis of (6aR,6bS,7S,8aS,8bS,10R,11aR,12aS,12b...)
Affinity DataIC50: 7.20E+3nMAssay Description:I. Experimental Materials and Instruments1. Human liver microsome (Corning 452117)2. NADPH (Solarbio 705Y021)3. Positive substrates diclofenac (Sigma...More data for this Ligand-Target Pair
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In Depth
Date in BDB:
1/16/2025
Entry Details
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TargetCytochrome P450 2D6(Human)
Jiangsu Simcere Pharmaceutical

US Patent
LigandPNGBDBM696513(Synthesis of (6aR,6bS,7S,8aS,8bS,10R,11aR,12aS,12b...)
Affinity DataIC50: 5.00E+4nMAssay Description:I. Experimental Materials and Instruments1. Human liver microsome (Corning 452117)2. NADPH (Solarbio 705Y021)3. Positive substrates diclofenac (Sigma...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
1/16/2025
Entry Details
Go to US Patent