BDBM50001839 CHEMBL428647::PACLITAXEL::taxol

SMILES CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1

InChI Key InChIKey=RCINICONZNJXQF-MZXODVADSA-N

Data  3 KI  39 IC50  1 EC50

PDB links: 95 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 = 50001839   

TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
Affinity DataIC50:  2.60E+3nMAssay Description:Inhibition of MDR1 (unknown origin) transfected in human SKOV3 cells assessed as growth inhibition after 48 hrs by SRB assayMore data for this Ligand-Target Pair