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BDBM50327023 ((1R,2R,3R,5S)-2,3,5-trihydroxy-5-((3-hydroxy-1-(4-(octyloxy)phenylamino)-1-oxobutan-2-yl)carbamoyl)cyclohexyl) 3-(3,4-dihydroxyphenyl)acrylate::((1R,2R,3R,5S)-2,3,5-trihydroxy-5-(3-hydroxy-1-(4-(octyloxy)phenylamino)-1-oxobutan-2-ylcarbamoyl)cyclohexyl)3-(3,4-dihydroxyphenyl)acrylate::CHEMBL396607

SMILES: CCCCCCCCOc1ccc(NC(=O)C(NC(=O)[C@]2(O)C[C@@H](O)[C@@H](O)[C@@H](C2)OC(=O)\C=C\c2ccc(O)c(O)c2)C(C)O)cc1

InChI Key: InChIKey=FVGZSRRIKXOWRJ-UFGNPURYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50327023   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Beta-1,3-glucan synthase


(Candida albicans)
BDBM50327023
PNG
(((1R,2R,3R,5S)-2,3,5-trihydroxy-5-((3-hydroxy-1-(4...)
Show SMILES CCCCCCCCOc1ccc(NC(=O)C(NC(=O)[C@]2(O)C[C@@H](O)[C@@H](O)[C@@H](C2)OC(=O)\C=C\c2ccc(O)c(O)c2)C(C)O)cc1
Show InChI InChI=1S/C34H46N2O11/c1-3-4-5-6-7-8-17-46-24-13-11-23(12-14-24)35-32(43)30(21(2)37)36-33(44)34(45)19-27(40)31(42)28(20-34)47-29(41)16-10-22-9-15-25(38)26(39)18-22/h9-16,18,21,27-28,30-31,37-40,42,45H,3-8,17,19-20H2,1-2H3,(H,35,43)(H,36,44)/b16-10+/t21?,27-,28-,30?,31-,34+/m1/s1
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>4.90E+4n/an/an/an/an/an/a



Inner Mongolia University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans 1,3 beta-D-glucan synthase


Bioorg Med Chem 18: 7009-14 (2010)


Article DOI: 10.1016/j.bmc.2010.08.022
BindingDB Entry DOI: 10.7270/Q2DV1K28
More data for this
Ligand-Target Pair