BDBM50290802 CHEMBL385431::Pneumocandin analogue

SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)CNC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](O)Cc1ccc(O)c(C=O)c1)[C@@H](O)CC(N)=O

InChI Key InChIKey=JPVDXPWMPZWHDO-UHFFFAOYSA-N

Data  1 IC50

  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 = 50290802   

Target1,3-beta-glucan synthase component GSC2(Baker's yeast)
TBA

Curated by ChEMBL
LigandPNGBDBM50290802(Pneumocandin analogue | CHEMBL385431)
Affinity DataIC50: 5.00E+3nMAssay Description:In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay.More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2010
Entry Details Article