BDBM50596723 CHEMBL5205903::US20230348421, Compound 59

SMILES CN1CCC(CC1)N(Cc1ccc(F)cn1)C(=O)NCc1ccc(OCC(F)(F)F)cc1

InChI Key InChIKey=HCPZGSLTHYYAJZ-UHFFFAOYSA-N

Data  3 KI  11 IC50

  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 14 hits for monomerid = 50596723   

Target5-hydroxytryptamine receptor 2A(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM50596723(CHEMBL5205903 | US20230348421, Compound 59)
Affinity DataIC50: 0.540nMAssay Description:Antagonist activity at 5-HT2A receptor (unknown origin) expressed in CHO-K1 cells assessed as reduction in intracellular Ca2+ mobilization incubated ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM50596723(CHEMBL5205903 | US20230348421, Compound 59)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM50596723(CHEMBL5205903 | US20230348421, Compound 59)
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of hERG potassium channel expressed in CHO cells at -80 mV holding potential by whole cell patch clamp assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
Target5-hydroxytryptamine receptor 2A(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM50596723(CHEMBL5205903 | US20230348421, Compound 59)
Affinity DataIC50: 2.10nMAssay Description:Inverse agonist activity at 5-HT2A receptor (unknown origin) expressed in mouse NIH3T3 cells using o-nitrophenyl-D-galacto pyranoside incubated for 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetCytochrome P450 1A2(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM50596723(CHEMBL5205903 | US20230348421, Compound 59)
Affinity DataIC50: 8.50E+3nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM50596723(CHEMBL5205903 | US20230348421, Compound 59)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetCytochrome P450 2C19(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM50596723(CHEMBL5205903 | US20230348421, Compound 59)
Affinity DataIC50: 6.29E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM50596723(CHEMBL5205903 | US20230348421, Compound 59)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
Target5-hydroxytryptamine receptor 2A(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM50596723(CHEMBL5205903 | US20230348421, Compound 59)
Affinity DataIC50: 0.540nMAssay Description:CHO-K1/5-HT2A cells in the logarithmic growth phase were seeded into a 384-well plate at a density of 10000 cells per well, and cultured in a 37° C.,...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2023
Entry Details
Go to US Patent

Target5-hydroxytryptamine receptor 2A(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM50596723(CHEMBL5205903 | US20230348421, Compound 59)
Affinity DataIC50: 2.04nMAssay Description:NIH3T3-5HT2AR cells in the logarithmic growth phase were seeded into a white-wall clear-bottom 96-well plate at a density of 1000 cells per well, and...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2023
Entry Details
Go to US Patent

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

Curated by ChEMBL
LigandPNGBDBM50596723(CHEMBL5205903 | US20230348421, Compound 59)
Affinity DataIC50: 810nMAssay Description:CHO (Chinese Hamster Ovary) cells stably expressing hERG potassium channels were taken, and hERG potassium channel currents were recorded at room tem...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2023
Entry Details
Go to US Patent

Target5-hydroxytryptamine receptor 2A(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM50596723(CHEMBL5205903 | US20230348421, Compound 59)
Affinity DataKi:  0.200nMAssay Description:Displacement of [3H]-Ketanserin from human 5-HT2A receptor at 50 nM incubated for 1 hr by microbeta scintillation counter analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
Target5-hydroxytryptamine receptor 2C(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM50596723(CHEMBL5205903 | US20230348421, Compound 59)
Affinity DataKi:  2nMAssay Description:Displacement of [3H]- Mesulergine from human 5-HT2C receptor at 300 nM incubated for 1 hr by microbeta2 beta-counter analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
Target5-hydroxytryptamine receptor 2B(Human)
Yantai University

Curated by ChEMBL
LigandPNGBDBM50596723(CHEMBL5205903 | US20230348421, Compound 59)
Affinity DataKi:  139nMAssay Description:Displacement of [3H]-LSD from human 5-HT2B receptor at 25 uM incubated for 1 hr by microbeta2 beta-counter analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed