BDBM700732 N-(3-cyano-4-fluorophenyl)-1,2,4-trimethyl-5-(2-oxo-2-((3-(trifluoromethyl)oxetan-3-yl)amino) acetyl)-1H-pyrrole-3-carboxamide::US12116356, Example 25

SMILES Cc1c(C(=O)Nc2ccc(F)c(c2)C#N)c(C)n(C)c1C(=O)C(=O)NC1(COC1)C(F)(F)F

InChI Key InChIKey=YBCDAKIKDKQOBF-UHFFFAOYSA-N

Data  6 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 6 hits for monomerid = 700732   

TargetCytochrome P450 2C9(Human)
Chia Tai Tianqing Pharmaceutical Group

US Patent
LigandPNGBDBM700732(N-(3-cyano-4-fluorophenyl)-1,2,4-trimethyl-5-(2-ox...)
Affinity DataIC50: 1.66E+4nMAssay Description:500 μL of a final incubation system contains 50 μL of liver microsomes (protein concentration: 0.2 mg/mL), 1 μL of mixed CYP450 specif...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/12/2025
Entry Details
US Patent

TargetCytochrome P450 2C19(Human)
Chia Tai Tianqing Pharmaceutical Group

US Patent
LigandPNGBDBM700732(N-(3-cyano-4-fluorophenyl)-1,2,4-trimethyl-5-(2-ox...)
Affinity DataIC50: 2.49E+4nMAssay Description:500 μL of a final incubation system contains 50 μL of liver microsomes (protein concentration: 0.2 mg/mL), 1 μL of mixed CYP450 specif...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/12/2025
Entry Details
US Patent

TargetCytochrome P450 2B6(Human)
Chia Tai Tianqing Pharmaceutical Group

US Patent
LigandPNGBDBM700732(N-(3-cyano-4-fluorophenyl)-1,2,4-trimethyl-5-(2-ox...)
Affinity DataIC50: 6.11E+4nMAssay Description:500 μL of a final incubation system contains 50 μL of liver microsomes (protein concentration: 0.2 mg/mL), 1 μL of mixed CYP450 specif...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/12/2025
Entry Details
US Patent

TargetCytochrome P450 3A4(Human)
Chia Tai Tianqing Pharmaceutical Group

US Patent
LigandPNGBDBM700732(N-(3-cyano-4-fluorophenyl)-1,2,4-trimethyl-5-(2-ox...)
Affinity DataIC50: 7.60E+4nMAssay Description:500 μL of a final incubation system contains 50 μL of liver microsomes (protein concentration: 0.2 mg/mL), 1 μL of mixed CYP450 specif...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/12/2025
Entry Details
US Patent

TargetCytochrome P450 2D6(Human)
Chia Tai Tianqing Pharmaceutical Group

US Patent
LigandPNGBDBM700732(N-(3-cyano-4-fluorophenyl)-1,2,4-trimethyl-5-(2-ox...)
Affinity DataIC50: 1.20E+5nMAssay Description:500 μL of a final incubation system contains 50 μL of liver microsomes (protein concentration: 0.2 mg/mL), 1 μL of mixed CYP450 specif...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/12/2025
Entry Details
US Patent

TargetCytochrome P450 1A2(Human)
Chia Tai Tianqing Pharmaceutical Group

US Patent
LigandPNGBDBM700732(N-(3-cyano-4-fluorophenyl)-1,2,4-trimethyl-5-(2-ox...)
Affinity DataIC50: 2.29E+5nMAssay Description:500 μL of a final incubation system contains 50 μL of liver microsomes (protein concentration: 0.2 mg/mL), 1 μL of mixed CYP450 specif...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/12/2025
Entry Details
US Patent