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BDBM50289910 1N-[21-(2-aminoethoxy)-3-(3-amino-1-hydroxypropyl)-6-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,25-trihydroxy-15-(1-hydroxyethyl)-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexaazatricyclo[22.2.1.09,13]heptacos-18-yl]-10,12-dimethyltetradecanamide::CHEMBL405670

SMILES: CCC(C)CC(C)CCCCCCCCC(=O)NC1C[C@@H](O)[C@H](NC(=O)C2CN(C[C@@H]2O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2C[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)CCN)OCCN

InChI Key: InChIKey=VCZHYLFAPHFKOG-INQNAKBFSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50289910   
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
1,3-beta-glucan synthase


(Candida glabrata)		BDBM50289910
PNG
(1N-[21-(2-aminoethoxy)-3-(3-amino-1-hydroxypropyl)...)
Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)NC1C[C@@H](O)[C@H](NC(=O)C2CN(C[C@@H]2O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2C[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)CCN)OCCN
Show InChI InChI=1S/C52H87N9O16/c1-5-28(2)22-29(3)12-10-8-6-7-9-11-13-40(68)55-35-24-38(66)50(77-21-20-54)59-46(71)34-26-60(27-39(34)67)51(75)42(37(65)18-19-53)57-49(74)43(45(70)44(69)31-14-16-32(63)17-15-31)58-48(73)36-23-33(64)25-61(36)52(76)41(30(4)62)56-47(35)72/h14-17,28-30,33-39,41-45,50,62-67,69-70H,5-13,18-27,53-54H2,1-4H3,(H,55,68)(H,56,72)(H,57,74)(H,58,73)(H,59,71)/t28?,29?,30-,33-,34?,35?,36?,37-,38-,39+,41+,42+,43+,44+,45+,50-/m1/s1
UniProtKB/TrEMBL

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Similars
Article
n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 1,3-beta-glucan synthase

Bioorg Med Chem Lett 7: 2021-2026 (1997)


Article DOI: 10.1016/S0960-894X(97)00359-4
BindingDB Entry DOI: 10.7270/Q2513Z6X
More data for this
Ligand-Target Pair