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BDBM50285477 1N-{20-[2-(5-carboxycarbamoyl)-1-hydroxyethyl]-2,11,15-trihydroxy-6-(1-hydroxyethyl)-23-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]-5,8,14,19,22,25-hexaoxoperhydrodipyrrolo[2,1-c:2,1-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-10,12-dimethyltetrade::CHEMBL442306

SMILES: CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)CNC(=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)Cc1ccc(O)cc1)[C@H](O)CC(=O)NCCCCCC(O)=O

InChI Key: InChIKey=NWUGPRIMAOZNPT-NBNRWQCGSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50285477   
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
Glucan Synthase


(Candida albicans (Yeast))		BDBM50285477
PNG
(1N-{20-[2-(5-carboxycarbamoyl)-1-hydroxyethyl]-2,1...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)CNC(=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)Cc1ccc(O)cc1)[C@H](O)CC(=O)NCCCCCC(O)=O
Show InChI InChI=1S/C56H90N8O17/c1-5-32(2)25-33(3)15-11-8-6-7-9-12-16-44(72)59-39-27-37(67)30-58-54(79)50-41(69)22-24-63(50)56(81)49(43(71)29-45(73)57-23-14-10-13-17-46(74)75)62-53(78)48(42(70)26-35-18-20-36(66)21-19-35)61-52(77)40-28-38(68)31-64(40)55(80)47(34(4)65)60-51(39)76/h18-21,32-34,37-43,47-50,65-71H,5-17,22-31H2,1-4H3,(H,57,73)(H,58,79)(H,59,72)(H,60,76)(H,61,77)(H,62,78)(H,74,75)/t32?,33?,34-,37-,38-,39+,40+,41+,42-,43-,47+,48+,49+,50+/m1/s1
UniProtKB/TrEMBL

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Similars
Article
n/an/a 900n/an/an/an/an/an/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