BDBM50483471 CHEMBL1684880

SMILES: O=c1c(OC2CCCCC2)c(cnn1-c1ccccc1)N1CC2CC1CN2S(=O)(=O)Cc1ccccc1

InChI Key: InChIKey=HAVOJLUPXNKDIA-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 = 50483471   

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)	BDBM50483471 (CHEMBL1684880) Show SMILES O=c1c(OC2CCCCC2)c(cnn1-c1ccccc1)N1CC2CC1CN2S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C28H32N4O4S/c33-28-27(36-25-14-8-3-9-15-25)26(17-29-32(28)22-12-6-2-7-13-22)30-18-24-16-23(30)19-31(24)37(34,35)20-21-10-4-1-5-11-21/h1-2,4-7,10-13,17,23-25H,3,8-9,14-16,18-20H2	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.92E+4	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