BDBM50237607 Ansamycin::CHEBI:45367::LM-427::Mycobutin::Rifabutin

SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2C4=NC5(CCN(CC(C)C)CC5)NC4=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(=O)c2c(O)c3C

InChI Key InChIKey=ATEBXHFBFRCZMA-VXTBVIBXSA-N

Data  6 IC50

PDB links: 4 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50237607   

TargetBile salt export pump(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50237607(Ansamycin | CHEBI:45367 | LM-427 | Mycobutin | Rif...)
Affinity DataIC50:  2.67E+4nMAssay Description:Ability to inhibit the binding of [125I]RT155 to hNET in HEK cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed