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
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Inositol phosphorylceramide synthase (Candida albicans) | BDBM50408926 (Aureobasidin A | CHEMBL1793802) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corp. Curated by ChEMBL | Assay Description Inhibition of Candida albicans ATCC 38247 inositol phosphorylceramide synthase preincubated for 30 mins | Antimicrob Agents Chemother 53: 496-504 (2009) Article DOI: 10.1128/AAC.00633-08 BindingDB Entry DOI: 10.7270/Q27H1JV5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Inositol phosphorylceramide synthase catalytic subunit AUR1 (Saccharomyces cerevisiae S288c) | BDBM50408926 (Aureobasidin A | CHEMBL1793802) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corp. Curated by ChEMBL | Assay Description Inhibition of Saccharomyces cerevisiae SJ21R inositol phosphorylceramide synthase preincubated for 30 mins | Antimicrob Agents Chemother 53: 496-504 (2009) Article DOI: 10.1128/AAC.00633-08 BindingDB Entry DOI: 10.7270/Q27H1JV5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Inositol phosphorylceramide synthase (Candida albicans) | BDBM50408926 (Aureobasidin A | CHEMBL1793802) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | 0.550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corp. Curated by ChEMBL | Assay Description Inhibition of Candida albicans inositol phosphorylceramide synthase | Antimicrob Agents Chemother 53: 496-504 (2009) Article DOI: 10.1128/AAC.00633-08 BindingDB Entry DOI: 10.7270/Q27H1JV5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Inositol phosphorylceramide synthase catalytic subunit AUR1 (Saccharomyces cerevisiae S288c) | BDBM50408926 (Aureobasidin A | CHEMBL1793802) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corp. Curated by ChEMBL | Assay Description Inhibition of aureobasidin A-resistant Saccharomyces cerevisiae inositol phosphorylceramide synthase preincubated for 30 mins | Antimicrob Agents Chemother 53: 496-504 (2009) Article DOI: 10.1128/AAC.00633-08 BindingDB Entry DOI: 10.7270/Q27H1JV5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50408926 (Aureobasidin A | CHEMBL1793802) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Strasbourg 1 University Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of Calcein-AM efflux (Calcein-AM: 0.25 uM) in CEM/VLB100 cells | J Med Chem 43: 2547-56 (2000) BindingDB Entry DOI: 10.7270/Q2PG1SFC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Inositol phosphorylceramide synthase catalytic subunit AUR1 (Saccharomyces cerevisiae S288c) | BDBM50408926 (Aureobasidin A | CHEMBL1793802) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corp. Curated by ChEMBL | Assay Description Inhibition of Saccharomyces cerevisiae inositol phosphorylceramide synthase | Antimicrob Agents Chemother 53: 496-504 (2009) Article DOI: 10.1128/AAC.00633-08 BindingDB Entry DOI: 10.7270/Q27H1JV5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Inositol phosphorylceramide synthase (Candida albicans) | BDBM50408926 (Aureobasidin A | CHEMBL1793802) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corp. Curated by ChEMBL | Assay Description Inhibition of Candida albicans inositol phosphorylceramide synthase | Antimicrob Agents Chemother 53: 496-504 (2009) Article DOI: 10.1128/AAC.00633-08 BindingDB Entry DOI: 10.7270/Q27H1JV5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aureobasidin-resistance protein (Neosartorya fumigata) | BDBM50408926 (Aureobasidin A | CHEMBL1793802) | UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corp. Curated by ChEMBL | Assay Description Inhibition of Aspergillus fumigatus inositol phosphorylceramide synthase | Antimicrob Agents Chemother 53: 496-504 (2009) Article DOI: 10.1128/AAC.00633-08 BindingDB Entry DOI: 10.7270/Q27H1JV5 | |||||||||||
More data for this Ligand-Target Pair |