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SMILES: Clc1cccc(c1)-n1ncc(N2CCN(CC2)S(=O)(=O)Cc2ccsc2)c(OC2CCCC2)c1=O

InChI Key: InChIKey=FECPJVBKHNBMLT-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50483791   
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 albicans (Yeast))		BDBM50483791
PNG
(CHEMBL1770511)
Show SMILES Clc1cccc(c1)-n1ncc(N2CCN(CC2)S(=O)(=O)Cc2ccsc2)c(OC2CCCC2)c1=O
Show InChI InChI=1S/C24H27ClN4O4S2/c25-19-4-3-5-20(14-19)29-24(30)23(33-21-6-1-2-7-21)22(15-26-29)27-9-11-28(12-10-27)35(31,32)17-18-8-13-34-16-18/h3-5,8,13-16,21H,1-2,6-7,9-12,17H2
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 411n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans BWP17 1,3-beta-glucan synthase

Bioorg Med Chem Lett 21: 2890-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.083
BindingDB Entry DOI: 10.7270/Q2SQ937S
More data for this
Ligand-Target Pair