BDBM50483802 CHEMBL1770512

SMILES: Clc1cccc(c1)-n1ncc(N2CCN(CC2)S(=O)(=O)CCc2ccccc2)c(OC2CCCC2)c1=O

InChI Key: InChIKey=CBWJSACBEYWLCR-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 = 50483802   

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))	BDBM50483802 (CHEMBL1770512) Show SMILES Clc1cccc(c1)-n1ncc(N2CCN(CC2)S(=O)(=O)CCc2ccccc2)c(OC2CCCC2)c1=O Show InChI InChI=1S/C27H31ClN4O4S/c28-22-9-6-10-23(19-22)32-27(33)26(36-24-11-4-5-12-24)25(20-29-32)30-14-16-31(17-15-30)37(34,35)18-13-21-7-2-1-3-8-21/h1-3,6-10,19-20,24H,4-5,11-18H2	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.47E+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