BDBM700728 (S)—N-(3-cyano-4-fluorophenyl)-1,2,4-trimethyl-5-(2-oxo-2-((1,1,1-)trifluoropropan-2-yl)amino) acetyl)-1H-pyrrole-3-carboxamide::BDBM700731::US12116356, Example 12

SMILES CC(NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(c2)C#N)c(C)n1C)C(F)(F)F

InChI Key InChIKey=ZEKBUUAAJKFKCP-UHFFFAOYSA-N

Data  6 IC50  1 EC50

  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 7 hits for monomerid = 700728   

TargetG-protein coupled receptor 52(Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM700728(BDBM700731 | (S)—N-(3-cyano-4-fluorophenyl)-1,2,4-...)
Affinity DataEC50:  11nMAssay Description:HTRF cAMP assays were performed using commercially available assay kits according to the manufacturer's instructions (cAMP Dynamic 2 Assay Kit; #...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
LigandPNGBDBM700728(BDBM700731 | (S)—N-(3-cyano-4-fluorophenyl)-1,2,4-...)
Affinity DataIC50: 4.64E+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
LigandPNGBDBM700728(BDBM700731 | (S)—N-(3-cyano-4-fluorophenyl)-1,2,4-...)
Affinity DataIC50: 6.00E+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 2C9(Human)
Chia Tai Tianqing Pharmaceutical Group

US Patent
LigandPNGBDBM700728(BDBM700731 | (S)—N-(3-cyano-4-fluorophenyl)-1,2,4-...)
Affinity DataIC50: 7.97E+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
LigandPNGBDBM700728(BDBM700731 | (S)—N-(3-cyano-4-fluorophenyl)-1,2,4-...)
Affinity DataIC50: 1.46E+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 3A4(Human)
Chia Tai Tianqing Pharmaceutical Group

US Patent
LigandPNGBDBM700728(BDBM700731 | (S)—N-(3-cyano-4-fluorophenyl)-1,2,4-...)
Affinity DataIC50: 2.00E+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 2D6(Human)
Chia Tai Tianqing Pharmaceutical Group

US Patent
LigandPNGBDBM700728(BDBM700731 | (S)—N-(3-cyano-4-fluorophenyl)-1,2,4-...)
Affinity DataIC50: 2.24E+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