BDBM50483788 CHEMBL1770497

SMILES: CCOCCOc1nn(-c2ccccc2)c(=O)c(OCCOCC)c1N1CCN(CC1)S(=O)(=O)Cc1ccccc1

InChI Key: InChIKey=ZMLDOJZKQYZKTJ-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 = 50483788   

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
1,3-beta-glucan synthase (Candida albicans (Yeast))	BDBM50483788 (CHEMBL1770497) Show SMILES CCOCCOc1nn(-c2ccccc2)c(=O)c(OCCOCC)c1N1CCN(CC1)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C29H38N4O7S/c1-3-37-19-21-39-27-26(31-15-17-32(18-16-31)41(35,36)23-24-11-7-5-8-12-24)28(40-22-20-38-4-2)30-33(29(27)34)25-13-9-6-10-14-25/h5-14H,3-4,15-23H2,1-2H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.15E+3	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-glucan synthase				Bioorg Med Chem Lett 21: 2890-3 (2011) Article DOI: 10.1016/j.bmcl.2011.03.083 BindingDB Entry DOI: 10.7270/Q2SQ937S
					More data for this Ligand-Target Pair