null

SMILES COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(OC)c(OC)cc3NC(=O)c3ccc(cc3)-n3ccnc3)Cc2cc1OC

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 = 50583060   

TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50583060(CHEMBL5079066 | US11739089, Compound 23)copy SMILES
Affinity DataIC50: 516nMAssay 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
LigandPNGBDBM50583060(CHEMBL5079066 | US11739089, Compound 23)copy SMILES
Affinity DataIC50: 750nMMore 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
LigandPNGBDBM50583060(CHEMBL5079066 | US11739089, Compound 23)copy SMILES
Affinity DataIC50: 495nMAssay 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