BDBM582646 US11548860, Compound 2::Z92489215

SMILES Clc1ccccc1CNC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1Cc1ccco1

InChI Key InChIKey=HZQRXURGPHBDGR-UHFFFAOYSA-N

Data  6 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 6 hits for monomerid = 582646   

TargetCytochrome P450 3A4(Human)
Mangosuthu University of Technology

US Patent
LigandPNGBDBM582646(Z92489215 | US11548860, Compound 2)
Affinity DataIC50: 1.10E+3nMAssay Description:The compounds were tested for inhibition of metabolic enzymes CYP1A2, CYP2C9, CYP2C19, CYP2D6, and CYP3A4. More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details
US Patent

TargetCytochrome P450 2C9(Human)
Mangosuthu University of Technology

US Patent
LigandPNGBDBM582646(Z92489215 | US11548860, Compound 2)
Affinity DataIC50: 1.80E+3nMAssay Description:The compounds were tested for inhibition of metabolic enzymes CYP1A2, CYP2C9, CYP2C19, CYP2D6, and CYP3A4. More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details
US Patent

TargetCytochrome P450 2C19(Human)
Mangosuthu University of Technology

US Patent
LigandPNGBDBM582646(Z92489215 | US11548860, Compound 2)
Affinity DataIC50: 3.50E+3nMAssay Description:The compounds were tested for inhibition of metabolic enzymes CYP1A2, CYP2C9, CYP2C19, CYP2D6, and CYP3A4. More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details
US Patent

TargetCytochrome P450 1A2(Human)
Mangosuthu University of Technology

US Patent
LigandPNGBDBM582646(Z92489215 | US11548860, Compound 2)
Affinity DataIC50: 4.50E+3nMAssay Description:The compounds were tested for inhibition of metabolic enzymes CYP1A2, CYP2C9, CYP2C19, CYP2D6, and CYP3A4. More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details
US Patent

TargetCytochrome P450 2D6(Human)
Mangosuthu University of Technology

US Patent
LigandPNGBDBM582646(Z92489215 | US11548860, Compound 2)
Affinity DataIC50: 8.10E+3nMAssay Description:The compounds were tested for inhibition of metabolic enzymes CYP1A2, CYP2C9, CYP2C19, CYP2D6, and CYP3A4. More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details
US Patent

TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Human)
Mangosuthu University of Technology

US Patent
LigandPNGBDBM582646(Z92489215 | US11548860, Compound 2)
Affinity DataIC50: 5.00E+4nMAssay Description:The compounds were tested for inhibition of metabolic enzymes CYP1A2, CYP2C9, CYP2C19, CYP2D6, and CYP3A4. More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details
US Patent