BDBM248059 SMY-584

SMILES: CCCCCCCCCCCCCCC[C@@H](O)[C@H](COCc1cccc(n1)-c1ccccn1)NC(=O)CCCCC

InChI Key: InChIKey=ILIPZEVLRQZAKU-SZAHLOSFSA-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 = 248059   

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
Sphingomyelinase (SMase) (Bacillus cereus)	BDBM248059 (SMY-584) Show SMILES CCCCCCCCCCCCCCC[C@@H](O)[C@H](COCc1cccc(n1)-c1ccccn1)NC(=O)CCCCC |r| Show InChI InChI=1S/C35H57N3O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-25-34(39)33(38-35(40)26-17-6-4-2)29-41-28-30-22-21-24-32(37-30)31-23-19-20-27-36-31/h19-24,27,33-34,39H,3-18,25-26,28-29H2,1-2H3,(H,38,40)/t33-,34+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	7.5	37
Tokushima Bunri University					Assay Description Briefly, Bc-SMase (50 ng/ml) was treated at 37 °C for 60 min with various compounds that were solubilized in dimethylacetoamide. The reaction mix...				J Enzyme Inhib Med Chem 29: 303-10 (2014) Article DOI: 10.3109/14756366.2013.777717 BindingDB Entry DOI: 10.7270/Q2NV9H50
					More data for this Ligand-Target Pair