BDBM50485401 CHEMBL2059640

SMILES: CC1(COc2c(cnn(-c3cccc(Cl)c3)c2=O)N2CCN(CC2)S(=O)(=O)Cc2ccc(N)c(c2)C(N)=O)CC1

InChI Key: InChIKey=XKFHYJZIHJZVRY-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 = 50485401   

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)	BDBM50485401 (CHEMBL2059640) Show SMILES CC1(COc2c(cnn(-c3cccc(Cl)c3)c2=O)N2CCN(CC2)S(=O)(=O)Cc2ccc(N)c(c2)C(N)=O)CC1 Show InChI InChI=1S/C27H31ClN6O5S/c1-27(7-8-27)17-39-24-23(15-31-34(26(24)36)20-4-2-3-19(28)14-20)32-9-11-33(12-10-32)40(37,38)16-18-5-6-22(29)21(13-18)25(30)35/h2-6,13-15H,7-12,16-17,29H2,1H3,(H2,30,35)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of 1,3-beta-D-glucan synthase in Candida albicans BWP17 membranes				Bioorg Med Chem Lett 22: 5268-71 (2012) Article DOI: 10.1016/j.bmcl.2012.06.091 BindingDB Entry DOI: 10.7270/Q2MC92WW
					More data for this Ligand-Target Pair