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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '1,3-beta-D-glucan synthase catalytic subunit' and Ligand = 'BDBM50499792'   
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-D-glucan synthase catalytic subunit


(Candida albicans)		BDBM50499792
PNG
(CHEMBL3739756)
Show SMILES [H][C@]12CC[C@@]3([H])C4(C)COC[C@@]3(C[C@@H](OC(C)=O)[C@@H]4OCC(C)(C)N)C1=CC[C@@]1(C)[C@H](C(O)=O)[C@](C)(CC[C@]21C)[C@H](C)C(C)C |r,c:28|
Show InChI InChI=1S/C36H59NO6/c1-21(2)22(3)32(7)15-16-34(9)24-11-12-27-33(8)19-41-20-36(27,25(24)13-14-35(34,10)28(32)30(39)40)17-26(43-23(4)38)29(33)42-18-31(5,6)37/h13,21-22,24,26-29H,11-12,14-20,37H2,1-10H3,(H,39,40)/t22-,24+,26-,27+,28-,29+,32-,33?,34-,35+,36+/m1/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 74.8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of UDP-[3H]glucose from beta-1,3-glucan synthase in Candida albicans MY1055 microsomal membranes incubated for 2 hrs

Bioorg Med Chem Lett 25: 5813-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.011
BindingDB Entry DOI: 10.7270/Q2DF6V64
More data for this
Ligand-Target Pair