BDBM50175523 4''-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-ylmethyl)-2''-ethoxymethyl-biphenyl-2-sulfonic acid (4,5-dimethyl-isoxazol-3-yl)-amide::4'-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-ylmethyl)-2'-ethoxymethyl-biphenyl-2-sulfonic acid (4,5-dimethyl-isoxazol-3-yl)-amide::CHEMBL539423

SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(c(COCC)c1)-c1ccccc1S(=O)(=O)Nc1noc(C)c1C

InChI Key InChIKey=WRFHGDPIDHPWIQ-UHFFFAOYSA-N

Data  4 KI

  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 10 hits for monomerid = 50175523   

TargetType-1 angiotensin II receptor(Human)
Organon Laboratories

Curated by ChEMBL
LigandPNGBDBM50175523(4''-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-...)
Affinity DataKi:  0.800nMAssay Description:Inhibitory concentration against angiotensin II receptor, type 1More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2012
Entry Details Article
PubMed
TargetType-1 angiotensin II receptor(Human)
Organon Laboratories

Curated by ChEMBL
LigandPNGBDBM50175523(4''-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-...)
Affinity DataKi:  0.800nMAssay Description:Binding affinity to AT1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetEndothelin-1 receptor(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50175523(4''-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-...)
Affinity DataKi:  9.30nMAssay Description:Binding affinity to ETA receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetEndothelin-1 receptor(Human)
National Heart and Lung Institute

Curated by ChEMBL
LigandPNGBDBM50175523(4''-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-...)
Affinity DataKi:  9.30nMAssay Description:Inhibitory concentration against endothelin receptor type AMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2012
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
Nicoya Therapeutics (Shanghai) Co.

US Patent
LigandPNGBDBM50175523(4''-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-...)
Affinity DataIC50: 5.50E+3nMAssay Description:Inhibitory Effects on Activities of Cytochrome P450 Isozymes (CYP1A2, CYP2C9, CYP2C19, CYP2D6, and CYP3A4) from Human Liver Microsomes. A total of si...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/1/2025
Entry Details
US Patent

TargetCytochrome P450 3A4(Human)
Nicoya Therapeutics (Shanghai) Co.

US Patent
LigandPNGBDBM50175523(4''-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-...)
Affinity DataIC50: 5.50E+3nMAssay Description:Inhibitory Effects on Activities of Cytochrome P450 Isozymes (CYP1A2, CYP2C9, CYP2C19, CYP2D6, and CYP3A4) from Human Liver Microsomes. A total of si...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/1/2025
Entry Details
US Patent

TargetCytochrome P450 2C9(Human)
Nicoya Therapeutics (Shanghai) Co.

US Patent
LigandPNGBDBM50175523(4''-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibitory Effects on Activities of Cytochrome P450 Isozymes (CYP1A2, CYP2C9, CYP2C19, CYP2D6, and CYP3A4) from Human Liver Microsomes. A total of si...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/1/2025
Entry Details
US Patent

TargetCytochrome P450 2C19(Human)
Nicoya Therapeutics (Shanghai) Co.

US Patent
LigandPNGBDBM50175523(4''-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibitory Effects on Activities of Cytochrome P450 Isozymes (CYP1A2, CYP2C9, CYP2C19, CYP2D6, and CYP3A4) from Human Liver Microsomes. A total of si...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/1/2025
Entry Details
US Patent

TargetCytochrome P450 1A2(Human)
Nicoya Therapeutics (Shanghai) Co.

US Patent
LigandPNGBDBM50175523(4''-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibitory Effects on Activities of Cytochrome P450 Isozymes (CYP1A2, CYP2C9, CYP2C19, CYP2D6, and CYP3A4) from Human Liver Microsomes. A total of si...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/1/2025
Entry Details
US Patent

TargetCytochrome P450 2D6(Human)
Nicoya Therapeutics (Shanghai) Co.

US Patent
LigandPNGBDBM50175523(4''-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibitory Effects on Activities of Cytochrome P450 Isozymes (CYP1A2, CYP2C9, CYP2C19, CYP2D6, and CYP3A4) from Human Liver Microsomes. A total of si...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/1/2025
Entry Details
US Patent