BDBM50290779 CHEMBL264601::Pneumocandin analogue

SMILES CCCc1cc(C[C@H](O)[C@@H]2NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)[C@@H](C[C@@H](O)CNC(=O)[C@@H]3[C@@H](O)CCN3C(=O)[C@@H](NC2=O)[C@@H](O)CC(N)=O)NC(=O)CCCCCCCCC(C)CC(C)CC)[C@@H](C)O)ccc1O

InChI Key InChIKey=NLRQIQBJUOCKLY-BQCXFGOMSA-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 = 50290779   

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

Curated by ChEMBL
LigandPNGBDBM50290779(CHEMBL264601 | Pneumocandin analogue)
Affinity DataIC50:  600nMAssay 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