BDBM50573717 CHEMBL4854730::US12565495, Example 28

SMILES COc1cc2C3CC(O)C(CC(C)C)CN3CCc2cc1OCC(F)(F)F

InChI Key InChIKey=JXFGMMABBUBPCW-UHFFFAOYSA-N

Data  5 KI  13 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 18 hits for monomerid = 50573717   

TargetSynaptic vesicular amine transporter(Rat)
Luye Innomind Pharma Shijiazhuang Co.

US Patent
LigandChemical structure of BindingDB Monomer ID 50573717BDBM50573717(CHEMBL4854730 | US12565495, Example 28)
Affinity DataKi:  1.48nMAssay Description:NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/13/2026
Entry Details
US Patent

TargetSynaptic vesicular amine transporter(Rat)
Luye Innomind Pharma Shijiazhuang Co.

US Patent
LigandChemical structure of BindingDB Monomer ID 50573717BDBM50573717(CHEMBL4854730 | US12565495, Example 28)
Affinity DataIC50: 2.54nMAssay Description:NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/13/2026
Entry Details
US Patent

TargetSynaptic vesicular amine transporter(Rat)
Luye Innomind Pharma Shijiazhuang Co.

US Patent
LigandChemical structure of BindingDB Monomer ID 50573717BDBM50573717(CHEMBL4854730 | US12565495, Example 28)
Affinity DataKi:  3.18nMAssay Description:NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/13/2026
Entry Details
US Patent

TargetSynaptic vesicular amine transporter(Rat)
Luye Innomind Pharma Shijiazhuang Co.

US Patent
LigandChemical structure of BindingDB Monomer ID 50573717BDBM50573717(CHEMBL4854730 | US12565495, Example 28)
Affinity DataKi:  3.57nMAssay Description:NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/13/2026
Entry Details
US Patent

TargetSynaptic vesicular amine transporter(Rat)
Luye Innomind Pharma Shijiazhuang Co.

US Patent
LigandChemical structure of BindingDB Monomer ID 50573717BDBM50573717(CHEMBL4854730 | US12565495, Example 28)
Affinity DataKi:  4.49nMAssay Description:NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/13/2026
Entry Details
US Patent

TargetSynaptic vesicular amine transporter(Rat)
Luye Innomind Pharma Shijiazhuang Co.

US Patent
LigandChemical structure of BindingDB Monomer ID 50573717BDBM50573717(CHEMBL4854730 | US12565495, Example 28)
Affinity DataIC50: 5.10nMAssay Description:Inhibition of [3H]DTBZ binding to VMAT2 in rat brain incubated for 30 mins by liquid scintillation spectrometry analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
TargetSynaptic vesicular amine transporter(Rat)
Luye Innomind Pharma Shijiazhuang Co.

US Patent
LigandChemical structure of BindingDB Monomer ID 50573717BDBM50573717(CHEMBL4854730 | US12565495, Example 28)
Affinity DataIC50: 5.45nMAssay Description:NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/13/2026
Entry Details
US Patent

TargetSynaptic vesicular amine transporter(Rat)
Luye Innomind Pharma Shijiazhuang Co.

US Patent
LigandChemical structure of BindingDB Monomer ID 50573717BDBM50573717(CHEMBL4854730 | US12565495, Example 28)
Affinity DataIC50: 6nMAssay Description:Inhibition of [3H]DA uptake at VMAT2 in rat striatal synaptosome incubated for 10 mins followed by [3H]DA addition and measured after 20 mins by TopC...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
TargetSynaptic vesicular amine transporter(Rat)
Luye Innomind Pharma Shijiazhuang Co.

US Patent
LigandChemical structure of BindingDB Monomer ID 50573717BDBM50573717(CHEMBL4854730 | US12565495, Example 28)
Affinity DataIC50: 6.13nMAssay Description:NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/13/2026
Entry Details
US Patent

TargetSynaptic vesicular amine transporter(Rat)
Luye Innomind Pharma Shijiazhuang Co.

US Patent
LigandChemical structure of BindingDB Monomer ID 50573717BDBM50573717(CHEMBL4854730 | US12565495, Example 28)
Affinity DataIC50: 7.70nMAssay Description:NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/13/2026
Entry Details
US Patent

TargetSynaptic vesicular amine transporter(Rat)
Luye Innomind Pharma Shijiazhuang Co.

US Patent
LigandChemical structure of BindingDB Monomer ID 50573717BDBM50573717(CHEMBL4854730 | US12565495, Example 28)
Affinity DataKi:  270nMAssay Description:NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/13/2026
Entry Details
US Patent

TargetSynaptic vesicular amine transporter(Rat)
Luye Innomind Pharma Shijiazhuang Co.

US Patent
LigandChemical structure of BindingDB Monomer ID 50573717BDBM50573717(CHEMBL4854730 | US12565495, Example 28)
Affinity DataIC50: 470nMAssay Description:NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/13/2026
Entry Details
US Patent

TargetPotassium voltage-gated channel subfamily H member 2(Human)
Yantai University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50573717BDBM50573717(CHEMBL4854730 | US12565495, Example 28)
Affinity DataIC50: 6.51E+3nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Yantai University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50573717BDBM50573717(CHEMBL4854730 | US12565495, Example 28)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Yantai University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50573717BDBM50573717(CHEMBL4854730 | US12565495, Example 28)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Yantai University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50573717BDBM50573717(CHEMBL4854730 | US12565495, Example 28)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Yantai University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50573717BDBM50573717(CHEMBL4854730 | US12565495, Example 28)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
Yantai University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50573717BDBM50573717(CHEMBL4854730 | US12565495, Example 28)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP2B6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed