BDBM50485400 CHEMBL2059496

SMILES: COc1cc(CS(=O)(=O)N2CCN(CC2)c2cnn(-c3cccc(Cl)c3)c(=O)c2OCC2(C)CC2)ccc1N

InChI Key: InChIKey=PKPXVFSVQNXMRK-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 = 50485400   

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)	BDBM50485400 (CHEMBL2059496) Show SMILES COc1cc(CS(=O)(=O)N2CCN(CC2)c2cnn(-c3cccc(Cl)c3)c(=O)c2OCC2(C)CC2)ccc1N Show InChI InChI=1S/C27H32ClN5O5S/c1-27(8-9-27)18-38-25-23(16-30-33(26(25)34)21-5-3-4-20(28)15-21)31-10-12-32(13-11-31)39(35,36)17-19-6-7-22(29)24(14-19)37-2/h3-7,14-16H,8-13,17-18,29H2,1-2H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	104	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