BDBM50408926 Aureobasidin A::CHEMBL1793802

SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O)C(C)(C)O)[C@H](C)CC

InChI Key InChIKey=RLMLFADXHJLPSQ-QKCBWMAHSA-N

Data  4 KI  4 IC50

  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 8 hits for monomerid = 50408926   

TargetInositol phosphorylceramide synthase(Yeast)
Pharmacia

Curated by ChEMBL
LigandPNGBDBM50408926(Aureobasidin A | CHEMBL1793802)
Affinity DataKi:  0.180nMAssay Description:Inhibition of Candida albicans ATCC 38247 inositol phosphorylceramide synthase preincubated for 30 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

LigandPNGBDBM50408926(Aureobasidin A | CHEMBL1793802)
Affinity DataKi:  0.230nMAssay Description:Inhibition of Saccharomyces cerevisiae SJ21R inositol phosphorylceramide synthase preincubated for 30 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetInositol phosphorylceramide synthase(Yeast)
Pharmacia

Curated by ChEMBL
LigandPNGBDBM50408926(Aureobasidin A | CHEMBL1793802)
Affinity DataKi:  0.550nMAssay Description:Inhibition of Candida albicans inositol phosphorylceramide synthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

LigandPNGBDBM50408926(Aureobasidin A | CHEMBL1793802)
Affinity DataKi:  1.40E+3nMAssay Description:Inhibition of aureobasidin A-resistant Saccharomyces cerevisiae inositol phosphorylceramide synthase preincubated for 30 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetATP-dependent translocase ABCB1(Human)
Strasbourg 1 University

Curated by ChEMBL
LigandPNGBDBM50408926(Aureobasidin A | CHEMBL1793802)
Affinity DataIC50:  2.27E+3nMAssay Description:TP_TRANSPORTER: inhibition of Calcein-AM efflux (Calcein-AM: 0.25 uM) in CEM/VLB100 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

LigandPNGBDBM50408926(Aureobasidin A | CHEMBL1793802)
Affinity DataIC50:  0.200nMAssay Description:Inhibition of Saccharomyces cerevisiae inositol phosphorylceramide synthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetInositol phosphorylceramide synthase(Yeast)
Pharmacia

Curated by ChEMBL
LigandPNGBDBM50408926(Aureobasidin A | CHEMBL1793802)
Affinity DataIC50:  0.200nMAssay Description:Inhibition of Candida albicans inositol phosphorylceramide synthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAureobasidin-resistance protein(Neosartorya fumigata)
Pharmacia

Curated by ChEMBL
LigandPNGBDBM50408926(Aureobasidin A | CHEMBL1793802)
Affinity DataIC50:  0.200nMAssay Description:Inhibition of Aspergillus fumigatus inositol phosphorylceramide synthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed