BDBM50409816 ABAMECTIN

SMILES CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C\C=C(C)\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2

InChI Key InChIKey=AZSNMRSAGSSBNP-XPNPUAGNSA-N

Data  3 KI  22 IC50  1 Kd

PDB links: 14 PDB IDs match this monomer.

  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 = 50409816   

TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50409816(ABAMECTIN)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed