BDBM50483473 CHEMBL1684743

SMILES: CCCCCCCOc1c(cnn(-c2ccccc2)c1=O)N1CCN(CC1)S(=O)(=O)Cc1ccccc1

InChI Key: InChIKey=VHCRXCFKPSHOPU-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 = 50483473   

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)	BDBM50483473 (CHEMBL1684743) Show SMILES CCCCCCCOc1c(cnn(-c2ccccc2)c1=O)N1CCN(CC1)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C28H36N4O4S/c1-2-3-4-5-12-21-36-27-26(22-29-32(28(27)33)25-15-10-7-11-16-25)30-17-19-31(20-18-30)37(34,35)23-24-13-8-6-9-14-24/h6-11,13-16,22H,2-5,12,17-21,23H2,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	228	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Candida albicans BWP17 1,3-beta-D-glucan synthase				Bioorg Med Chem Lett 21: 1819-22 (2011) Article DOI: 10.1016/j.bmcl.2011.01.058 BindingDB Entry DOI: 10.7270/Q2P55RCG
					More data for this Ligand-Target Pair