BDBM633145 US20230348459, Example 3

SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1ccc(N[C@H]2CCN(CCCF)C2)cn1

InChI Key InChIKey=GRCKMGXTYAMEJC-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 633145   

TargetCytochrome P450 2C9(Human)
Simcere Pharmaceutical

US Patent
LigandPNGBDBM633145(US20230348459, Example 3)
Affinity DataIC50: 3.00E+4nMAssay Description:I. Test Materials and Instruments1. Human liver microsomes (Corning 452117)2. NADPH (Solarbio 705Y021)3. Positive substrates diclofenac (Sigma SLBV34...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2023
Entry Details
Go to US Patent

TargetCytochrome P450 2D6(Human)
Simcere Pharmaceutical

US Patent
LigandPNGBDBM633145(US20230348459, Example 3)
Affinity DataIC50: 3.00E+4nMAssay Description:I. Test Materials and Instruments1. Human liver microsomes (Corning 452117)2. NADPH (Solarbio 705Y021)3. Positive substrates diclofenac (Sigma SLBV34...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2023
Entry Details
Go to US Patent