BDBM50601888 Betulin-3-Caffeate::Betulin-3Beta-Caffeate::CHEMBL502663

SMILES [H][C@]12[C@@H](CC[C@]1(CO)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)\C=C\c4ccc(O)c(O)c4)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C

InChI Key InChIKey=VOQSZICWRNPAMF-IUGYEWCASA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50601888   

TargetSodium/bile acid cotransporter(Homo sapiens (Human))
Southwest Jiaotong University

Curated by ChEMBL
LigandPNGBDBM50601888(Betulin-3-Caffeate | Betulin-3Beta-Caffeate | CHEM...)
Affinity DataIC50:  6.00E+3nMAssay Description:Inhibition of HBV subgenotype D3 [3H]-myr-preS1 (2 to 48 residues) peptide binding to human NTCP in HEK293 cells preincubated for 5 mins followed by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed