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: 96 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 = 50001839   

TargetChaperonin GroEL(Escherichia coli)
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50001839(CHEMBL428647 | PACLITAXEL | taxol)
Affinity DataIC50: >2.50E+5nMAssay Description:Inhibition of ATPase activity of Escherichia coli GroEL expressed in Escherichia coliDH5alpha incubated for 60 mins using ATP by spectrometric analys...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed