BDBM50485392 CHEMBL1770665

SMILES: Nc1ccc(CS(=O)(=O)N2CCN(CC2)c2cnn(-c3cccc(Cl)c3)c(=O)c2OC2CCCC2)cc1

InChI Key: InChIKey=HEPYHEIKILTIAQ-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 = 50485392   

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)	BDBM50485392 (CHEMBL1770665) Show SMILES Nc1ccc(CS(=O)(=O)N2CCN(CC2)c2cnn(-c3cccc(Cl)c3)c(=O)c2OC2CCCC2)cc1 Show InChI InChI=1S/C26H30ClN5O4S/c27-20-4-3-5-22(16-20)32-26(33)25(36-23-6-1-2-7-23)24(17-29-32)30-12-14-31(15-13-30)37(34,35)18-19-8-10-21(28)11-9-19/h3-5,8-11,16-17,23H,1-2,6-7,12-15,18,28H2	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	91.9	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