BDBM50483461 CHEMBL1684739

SMILES: O=c1c(OC2CCCCC2)c(cnn1-c1ccccc1)N1CCN(CC1)S(=O)(=O)Cc1ccccc1

InChI Key: InChIKey=UXWIXISQOYNQFJ-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 = 50483461   

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)	BDBM50483461 (CHEMBL1684739) Show SMILES O=c1c(OC2CCCCC2)c(cnn1-c1ccccc1)N1CCN(CC1)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C27H32N4O4S/c32-27-26(35-24-14-8-3-9-15-24)25(20-28-31(27)23-12-6-2-7-13-23)29-16-18-30(19-17-29)36(33,34)21-22-10-4-1-5-11-22/h1-2,4-7,10-13,20,24H,3,8-9,14-19,21H2	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.04E+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-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