BDBM582665 US11548860, Compound 3::Z220306370

SMILES CC1N=C(SC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)SC1CC(N)=O

InChI Key InChIKey=BVYRMUNCJKBUAW-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:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 582665   

TargetCytochrome P450 2C9(Human)
Mangosuthu University of Technology

US Patent
LigandPNGBDBM582665(Z220306370 | US11548860, Compound 3)
Affinity DataIC50: 1.50E+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 3A4(Human)
Mangosuthu University of Technology

US Patent
LigandPNGBDBM582665(Z220306370 | US11548860, Compound 3)
Affinity DataIC50: 2.70E+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
LigandPNGBDBM582665(Z220306370 | US11548860, Compound 3)
Affinity DataIC50: 8.30E+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
LigandPNGBDBM582665(Z220306370 | US11548860, Compound 3)
Affinity DataIC50: 1.26E+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

TargetCytochrome P450 2D6(Human)
Mangosuthu University of Technology

US Patent
LigandPNGBDBM582665(Z220306370 | US11548860, Compound 3)
Affinity DataIC50: 1.50E+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

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

US Patent
LigandPNGBDBM582665(Z220306370 | US11548860, Compound 3)
Affinity DataIC50: 3.41E+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