BDBM50485380 CHEMBL2059642

SMILES: CN(C)c1ccc(CS(=O)(=O)N2CCN(CC2)c2cnn(-c3cccc(Cl)c3)c(=O)c2OCC2(C)CC2)cc1

InChI Key: InChIKey=PHAFTQNLBTWSCJ-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50485380   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Beta-1,3-glucan synthase (Candida albicans)	BDBM50485380 (CHEMBL2059642) Show SMILES CN(C)c1ccc(CS(=O)(=O)N2CCN(CC2)c2cnn(-c3cccc(Cl)c3)c(=O)c2OCC2(C)CC2)cc1 Show InChI InChI=1S/C28H34ClN5O4S/c1-28(11-12-28)20-38-26-25(18-30-34(27(26)35)24-6-4-5-22(29)17-24)32-13-15-33(16-14-32)39(36,37)19-21-7-9-23(10-8-21)31(2)3/h4-10,17-18H,11-16,19-20H2,1-3H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	87.4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of 1,3-beta-D-glucan synthase in Candida albicans BWP17 membranes				Bioorg Med Chem Lett 22: 5268-71 (2012) Article DOI: 10.1016/j.bmcl.2012.06.091 BindingDB Entry DOI: 10.7270/Q2MC92WW
					More data for this Ligand-Target Pair