BDBM602769 US11649235, Compound 2

SMILES NCCCCN(CC1CN(CC[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccccc2)CCN1)C1CCCc2cccnc12

InChI Key InChIKey=SJZAXSACXJKINA-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:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 602769   

TargetCytochrome P450 2D6(Human)
Emory University

US Patent
LigandPNGBDBM602769(US11649235, Compound 2)
Affinity DataIC50: 1.56E+5nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
US Patent

TargetCytochrome P450 3A4(Human)
Emory University

US Patent
LigandPNGBDBM602769(US11649235, Compound 2)
Affinity DataIC50: 7.51E+5nMAssay Description:Recombinant CYP Inhibition Assay: In a drug discovery program, a rapid screening for cyctochrome P450 (CYP450) inhibitors is a part of the existing s...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
US Patent