BDBM724725 (S)—N-(3-cyano-4-fluorophenyl)-2,4-dimethyl-5-(2-oxo-2-((1,1,1-trifluoroprop-2-yl)amino)acetyl)-1H-pyrrole-3-carboxamide::US12240811, Example 1

SMILES Cc1[nH]c(C(=O)C(=O)N[C@@H](C)C(F)(F)F)c(C)c1C(=O)NC2=CC(C#N)C(F)C=C2

InChI Key InChIKey=JETVEXSPEUKDHD-UHFFFAOYSA-N

  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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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 724725   

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

US Patent
LigandPNGBDBM724725((S)—N-(3-cyano-4-fluorophenyl)-2,4-dimethyl-5-(2-o...)
Affinity DataIC50: 2.00E+4nMAssay Description:500 μL of a final incubation system contains 50 μL of human liver microsomes (protein concentration: 0.2 mg/mL, Corning), 1 μL of mixed CYP450 specif...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
7/3/2025
Entry Details
US Patent

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

US Patent
LigandPNGBDBM724725((S)—N-(3-cyano-4-fluorophenyl)-2,4-dimethyl-5-(2-o...)
Affinity DataIC50: 4.90E+4nMAssay Description:500 μL of a final incubation system contains 50 μL of human liver microsomes (protein concentration: 0.2 mg/mL, Corning), 1 μL of mixed CYP450 specif...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
7/3/2025
Entry Details
US Patent

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

US Patent
LigandPNGBDBM724725((S)—N-(3-cyano-4-fluorophenyl)-2,4-dimethyl-5-(2-o...)
Affinity DataIC50: 5.40E+4nMAssay Description:500 μL of a final incubation system contains 50 μL of human liver microsomes (protein concentration: 0.2 mg/mL, Corning), 1 μL of mixed CYP450 specif...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
7/3/2025
Entry Details
US Patent

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

US Patent
LigandPNGBDBM724725((S)—N-(3-cyano-4-fluorophenyl)-2,4-dimethyl-5-(2-o...)
Affinity DataIC50: 2.00E+5nMAssay Description:500 μL of a final incubation system contains 50 μL of human liver microsomes (protein concentration: 0.2 mg/mL, Corning), 1 μL of mixed CYP450 specif...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
7/3/2025
Entry Details
US Patent

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

US Patent
LigandPNGBDBM724725((S)—N-(3-cyano-4-fluorophenyl)-2,4-dimethyl-5-(2-o...)
Affinity DataIC50: 2.00E+5nMAssay Description:500 μL of a final incubation system contains 50 μL of human liver microsomes (protein concentration: 0.2 mg/mL, Corning), 1 μL of mixed CYP450 specif...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
7/3/2025
Entry Details
US Patent

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

US Patent
LigandPNGBDBM724725((S)—N-(3-cyano-4-fluorophenyl)-2,4-dimethyl-5-(2-o...)
Affinity DataIC50: 2.00E+5nMAssay Description:500 μL of a final incubation system contains 50 μL of human liver microsomes (protein concentration: 0.2 mg/mL, Corning), 1 μL of mixed CYP450 specif...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
7/3/2025
Entry Details
US Patent