BDBM50485321 CHEMBL2046734

SMILES: COC(=O)c1ccc(CNS(=O)(=O)N2CCN(CC2)C(\C=N)=C(/OCC2(C)CC2)C(=O)Nc2cccc(Cl)c2)cc1

InChI Key: InChIKey=CAHWNZKANYUEEB-FKFGHBOGSA-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 = 50485321   

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)	BDBM50485321 (CHEMBL2046734) Show SMILES COC(=O)c1ccc(CNS(=O)(=O)N2CCN(CC2)C(\C=N)=C(/OCC2(C)CC2)C(=O)Nc2cccc(Cl)c2)cc1 Show InChI InChI=1S/C28H34ClN5O6S/c1-28(10-11-28)19-40-25(26(35)32-23-5-3-4-22(29)16-23)24(17-30)33-12-14-34(15-13-33)41(37,38)31-18-20-6-8-21(9-7-20)27(36)39-2/h3-9,16-17,30-31H,10-15,18-19H2,1-2H3,(H,32,35)/b25-24-,30-17?	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	529	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research, Inc. (AMRI) Curated by ChEMBL					Assay Description Inhibition of glucan synthase in Candida albicans BWP17 membrane				Bioorg Med Chem Lett 22: 4896-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.127 BindingDB Entry DOI: 10.7270/Q2NC6424
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