BDBM50485381 CHEMBL2059644

SMILES: CC1(COc2c(cnn(-c3cccc(Cl)c3)c2=O)N2CCN(CC2)S(=O)(=O)Cc2cccnc2N)CC1

InChI Key: InChIKey=AOMZSIFDBDFDOL-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 = 50485381   

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)	BDBM50485381 (CHEMBL2059644) Show SMILES CC1(COc2c(cnn(-c3cccc(Cl)c3)c2=O)N2CCN(CC2)S(=O)(=O)Cc2cccnc2N)CC1 Show InChI InChI=1S/C25H29ClN6O4S/c1-25(7-8-25)17-36-22-21(15-29-32(24(22)33)20-6-2-5-19(26)14-20)30-10-12-31(13-11-30)37(34,35)16-18-4-3-9-28-23(18)27/h2-6,9,14-15H,7-8,10-13,16-17H2,1H3,(H2,27,28)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	238	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