BDBM555040 (2S) N-Ethyl-N-{2-[4-(6-fluoro-1,2-benzoisoxazol-3-yl)piperidin-1-yl]ethyl}-2-hydroxypropanamide::US11339151, Example 16

SMILES CCN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)[C@H](C)O

InChI Key InChIKey=FDLRDRBESBJAAV-UHFFFAOYSA-N

Data  3 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 555040   

TargetPotassium voltage-gated channel subfamily H member 2(Human)
Sumitomo Dainippon Pharma

US Patent
LigandPNGBDBM555040(US11339151, Example 16 | (2S) N-Ethyl-N-{2-[4-(6-f...)
Affinity DataIC50: 4.80E+3nMAssay Description:Extracellular and intracellular fluids used in the measurement were prepared as follows.Extracellular fluid: 2 mmol/L CaCl2, 1 mmol/L MgCl2, 10 mmol/...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2022
Entry Details
Go to US Patent

Target5-hydroxytryptamine receptor 2A(Human)
Sumitomo Dainippon Pharma

US Patent
LigandPNGBDBM555040(US11339151, Example 16 | (2S) N-Ethyl-N-{2-[4-(6-f...)
Affinity DataKi:  2.5nMAssay Description:Human 5-HT2A Receptor, Human 5-HT7 Receptor, and Human D2 Receptor: Binding affinity of the present compound for human 5-HT2A receptor, human 5-HT7 r...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2022
Entry Details
Go to US Patent

Target5-hydroxytryptamine receptor 7(Human)
Sumitomo Dainippon Pharma

US Patent
LigandPNGBDBM555040(US11339151, Example 16 | (2S) N-Ethyl-N-{2-[4-(6-f...)
Affinity DataKi:  5.90nMAssay Description:Human 5-HT2A Receptor, Human 5-HT7 Receptor, and Human D2 Receptor: Binding affinity of the present compound for human 5-HT2A receptor, human 5-HT7 r...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2022
Entry Details
Go to US Patent

TargetD(2) dopamine receptor(Human)
Sumitomo Dainippon Pharma

US Patent
LigandPNGBDBM555040(US11339151, Example 16 | (2S) N-Ethyl-N-{2-[4-(6-f...)
Affinity DataKi:  389nMAssay Description:Human 5-HT2A Receptor, Human 5-HT7 Receptor, and Human D2 Receptor: Binding affinity of the present compound for human 5-HT2A receptor, human 5-HT7 r...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2022
Entry Details
Go to US Patent