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BDBM50285483 10,12-Dimethyl-tetradecanoic acid [3-(3-acetylamino-1-hydroxy-propyl)-6-[1,2-dihydroxy-2-(4-hydroxy-phenyl)-ethyl]-11,20,21,25-tetrahydroxy-15-(1-hydroxy-ethyl)-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexaaza-tricyclo[22.3.0.0*9,13*]heptacos-18-yl]-amide::CHEMBL263950

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)CCNC(C)=O

InChI Key: InChIKey=DUBYNQYWQZFNBK-CJNXKFHQSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50285483   
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))		BDBM50285483
PNG
(10,12-Dimethyl-tetradecanoic acid [3-(3-acetylamin...)
Show 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)CCNC(C)=O
Show InChI InChI=1S/C52H84N8O17/c1-6-27(2)23-28(3)13-11-9-7-8-10-12-14-39(68)54-34-25-38(67)48(73)58-50(75)43-37(66)20-22-59(43)52(77)41(36(65)19-21-53-30(5)62)56-49(74)42(45(70)44(69)31-15-17-32(63)18-16-31)57-47(72)35-24-33(64)26-60(35)51(76)40(29(4)61)55-46(34)71/h15-18,27-29,33-38,40-45,48,61,63-67,69-70,73H,6-14,19-26H2,1-5H3,(H,53,62)(H,54,68)(H,55,71)(H,56,74)(H,57,72)(H,58,75)/t27?,28?,29-,33-,34+,35+,36-,37+,38-,40+,41+,42+,43+,44+,45+,48-/m1/s1
UniProtKB/TrEMBL

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Similars
Article
n/an/a 300n/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