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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '1,3-beta-glucan synthase' and Ligand = 'BDBM50100330'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
1,3-beta-glucan synthase


(Candida albicans (Yeast))		BDBM50100330
PNG
(CHEMBL413199 | LY-303366 | LY-303366 derivative)
Show SMILES CCCCCOc1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)C(=O)N[C@@H]1C[C@@H](O)[C@@H](O)NC(=O)C2[C@@H](OC)[C@H](CN2C(=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](C)O)OC
Show InChI InChI=1S/C59H75N7O18/c1-6-7-8-25-84-40-23-19-35(20-24-40)33-11-9-32(10-12-33)34-13-15-37(16-14-34)52(74)60-41-27-43(71)55(77)64-57(79)48-51(83-5)44(82-4)29-66(48)59(81)46(31(3)68)62-56(78)47(50(73)49(72)36-17-21-38(69)22-18-36)63-54(76)42-26-39(70)28-65(42)58(80)45(30(2)67)61-53(41)75/h9-24,30-31,39,41-51,55,67-73,77H,6-8,25-29H2,1-5H3,(H,60,74)(H,61,75)(H,62,78)(H,63,76)(H,64,79)/t30-,31-,39-,41-,42+,43-,44+,45+,46+,47+,48?,49+,50+,51+,55-/m1/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 18n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Beta glucan synthase

Bioorg Med Chem Lett 11: 1273-6 (2001)


BindingDB Entry DOI: 10.7270/Q2CN74FQ
More data for this
Ligand-Target Pair