BDBM181146 US9138393, Adenine::US9144538, Adenine

SMILES Nc1ncnc2[nH]cnc12

InChI Key InChIKey=GFFGJBXGBJISGV-UHFFFAOYSA-N

Data  3 IC50

PDB links: 158 PDB IDs match this monomer.

  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 3 hits for monomerid = 181146   

TargetCytochrome P450 3A4(Homo sapiens (Human))
The Procter & Gamble

US Patent
LigandPNGBDBM181146(US9138393, Adenine | US9144538, Adenine)
Affinity DataIC50: >1.00E+4nMAssay Description:A commercially available P450-GLO Assay kit (Promega Corporation, Madison Wis.) is used to screen various compounds for CYP3A4A inhibition activity. ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetBile salt export pump(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM181146(US9138393, Adenine | US9144538, Adenine)
Affinity DataIC50: >1.00E+6nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
The Procter & Gamble

US Patent
LigandPNGBDBM181146(US9138393, Adenine | US9144538, Adenine)
Affinity DataIC50: >1.00E+4nMAssay Description:Cytochrome P450 is a large and diverse group of enzymes that catalyze the oxidation of organic substances. Some members of the CYP family contribute ...More data for this Ligand-Target Pair
In DepthDetails US Patent