BDBM50285492 1N-[20-[3-di(cyanomethyl)amino-1-hydroxypropyl]-23-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6-(1-hydroxyethyl)-5,8,14,19,22,25-hexaoxoperhydrodipyrrolo[2,1-c:2,1-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl]-10,12-dimethyl::CHEMBL217306
SMILES: CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=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)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCN(CC#N)CC#N
InChI Key: InChIKey=ZPAHMPZEUHFWRJ-ZELNKJOMSA-N
Data: 1 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Glucan Synthase (Candida albicans (Yeast)) | BDBM50285492 (1N-[20-[3-di(cyanomethyl)amino-1-hydroxypropyl]-23...) | UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | >200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Tested for inhibition of Beta-1,3-glucan synthase using a crude membrane of Candida albicans (MY 1208). | Bioorg Med Chem Lett 5: 2357-2362 (1995) Article DOI: 10.1016/0960-894X(95)00407-K BindingDB Entry DOI: 10.7270/Q29886Z7 | |||||||||||
More data for this Ligand-Target Pair |