BDBM248062 SMY-579

SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COCc1cccc(n1)-c1ccccn1)NC(=O)OC(C)(C)C

InChI Key: InChIKey=IIOXCXUVOHKLSF-DJLQUPMRSA-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 = 248062   

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)	BDBM248062 (SMY-579) Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COCc1cccc(n1)-c1ccccn1)NC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C34H53N3O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-24-32(38)31(37-33(39)41-34(2,3)4)27-40-26-28-21-20-23-30(36-28)29-22-18-19-25-35-29/h17-25,31-32,38H,5-16,26-27H2,1-4H3,(H,37,39)/b24-17+/t31-,32+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.83E+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