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BDBM50285486 1N-{20-[2-(5-carboxymethylcarbamoyl)-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::CHEMBL412847

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)OC

InChI Key: InChIKey=IATDXVTUWMVOAY-BFMPHEQCSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50285486   
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))		BDBM50285486
PNG
(1N-{20-[2-(5-carboxymethylcarbamoyl)-1-hydroxyethy...)
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)OC
Show InChI InChI=1S/C57H92N8O17/c1-6-33(2)26-34(3)16-12-9-7-8-10-13-17-45(73)60-40-28-38(68)31-59-55(79)51-42(70)23-25-64(51)57(81)50(44(72)30-46(74)58-24-15-11-14-18-47(75)82-5)63-54(78)49(43(71)27-36-19-21-37(67)22-20-36)62-53(77)41-29-39(69)32-65(41)56(80)48(35(4)66)61-52(40)76/h19-22,33-35,38-44,48-51,66-72H,6-18,23-32H2,1-5H3,(H,58,74)(H,59,79)(H,60,73)(H,61,76)(H,62,77)(H,63,78)/t33?,34?,35-,38-,39-,40+,41+,42+,43-,44-,48+,49+,50+,51+/m1/s1
UniProtKB/TrEMBL

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Similars
Article
n/an/a 250n/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