BDBM50485377 CHEMBL2059638

SMILES: CCc1cc(CS(=O)(=O)N2CCN(CC2)c2cnn(-c3cccc(Cl)c3)c(=O)c2OCC2(C)CC2)ccc1N

InChI Key: InChIKey=ALMBUVBONGFNIB-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 = 50485377   

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)	BDBM50485377 (CHEMBL2059638) Show SMILES CCc1cc(CS(=O)(=O)N2CCN(CC2)c2cnn(-c3cccc(Cl)c3)c(=O)c2OCC2(C)CC2)ccc1N Show InChI InChI=1S/C28H34ClN5O4S/c1-3-21-15-20(7-8-24(21)30)18-39(36,37)33-13-11-32(12-14-33)25-17-31-34(23-6-4-5-22(29)16-23)27(35)26(25)38-19-28(2)9-10-28/h4-8,15-17H,3,9-14,18-19,30H2,1-2H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	314	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