null

SMILES COc1cc(NC(=O)c2cc(=O)c3ccccc3o2)c(cc1OC)-c1nnn(n1)-c1ccc(CCN2CCc3cc(ccc3C2)-n2ccnc2)cc1

InChI Key

  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 3 hits for monomerid = 50583050   

TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50583050(CHEMBL5094781 | US11739089, Compound 8)copy SMILES
Affinity DataIC50: 305nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using IPA as substrate preincubated for 10 mins followed by NADPH generating system addition and measu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2S75M7NPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50583050(CHEMBL5094781 | US11739089, Compound 8)copy SMILES
Affinity DataIC50: 175nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q27W6HBQ
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))TBA
LigandPNGBDBM50583050(CHEMBL5094781 | US11739089, Compound 8)copy SMILES
Affinity DataIC50: 1.28E+3nMAssay Description:Inhibition of wild type human P-gp in human MES-SA/Dx5 cells incubated for 3 days by MTT assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2S75M7NPubMed