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BDBM50285491 10,12-Dimethyl-tetradecanoic acid [6-[1,2-dihydroxy-2-(4-hydroxy-phenyl)-ethyl]-3-(3-guanidino-1-hydroxy-propyl)-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::CHEMBL385931

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(N)=N

InChI Key: InChIKey=HPQZZQAVFGHPJM-QVCGFCSKSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50285491   
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))		BDBM50285491
PNG
(10,12-Dimethyl-tetradecanoic acid [6-[1,2-dihydrox...)
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(N)=N
Show InChI InChI=1S/C51H84N10O16/c1-5-26(2)22-27(3)12-10-8-6-7-9-11-13-37(68)55-32-24-36(67)46(73)59-48(75)41-35(66)19-21-60(41)50(77)39(34(65)18-20-54-51(52)53)57-47(74)40(43(70)42(69)29-14-16-30(63)17-15-29)58-45(72)33-23-31(64)25-61(33)49(76)38(28(4)62)56-44(32)71/h14-17,26-28,31-36,38-43,46,62-67,69-70,73H,5-13,18-25H2,1-4H3,(H,55,68)(H,56,71)(H,57,74)(H,58,72)(H,59,75)(H4,52,53,54)/t26?,27?,28-,31-,32+,33+,34-,35+,36-,38+,39+,40+,41+,42+,43+,46-/m1/s1
UniProtKB/TrEMBL

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Similars
Article
n/an/a 7n/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