BDBM50290790 CHEMBL263952::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(CC\C=C\C(=O)OC)c1)[C@@H](O)CC(N)=O

InChI Key InChIKey=VELZWMAUTIGNJS-MTCXQNRHSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50290790   

Target1,3-beta-glucan synthase component GSC2(Saccharomyces cerevisiae)
TBA

Curated by ChEMBL
LigandPNGBDBM50290790(CHEMBL263952 | Pneumocandin analogue)
Affinity DataIC50:  550nMAssay Description:In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay.More data for this Ligand-Target Pair
In DepthDetails Article