BDBM50483789 CHEMBL1770509

SMILES: Cn1ccc2ccc(cc12)S(=O)(=O)N1CCN(CC1)c1cnn(-c2cccc(Cl)c2)c(=O)c1OC1CCCC1

InChI Key: InChIKey=MGBBKENJTNFBRL-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 = 50483789   

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))	BDBM50483789 (CHEMBL1770509) Show SMILES Cn1ccc2ccc(cc12)S(=O)(=O)N1CCN(CC1)c1cnn(-c2cccc(Cl)c2)c(=O)c1OC1CCCC1 Show InChI InChI=1S/C28H30ClN5O4S/c1-31-12-11-20-9-10-24(18-25(20)31)39(36,37)33-15-13-32(14-16-33)26-19-30-34(22-6-4-5-21(29)17-22)28(35)27(26)38-23-7-2-3-8-23/h4-6,9-12,17-19,23H,2-3,7-8,13-16H2,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	281	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