BDBM248064 SMY-610

SMILES: CCCCCCCCCCCCC\C=C\[C@@H](Oc1cccc(n1)-c1ccccn1)[C@H](COCc1cccc(n1)-c1ccccn1)NC(=O)CCCCC

InChI Key: InChIKey=MLMSBFQFNVRCKP-BQWZWJGLSA-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 = 248064   

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)	BDBM248064 (SMY-610) Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](Oc1cccc(n1)-c1ccccn1)[C@H](COCc1cccc(n1)-c1ccccn1)NC(=O)CCCCC |r| Show InChI InChI=1S/C45H61N5O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-30-43(53-45-32-24-29-41(50-45)39-27-20-22-34-47-39)42(49-44(51)31-17-6-4-2)36-52-35-37-25-23-28-40(48-37)38-26-19-21-33-46-38/h18-30,32-34,42-43H,3-17,31,35-36H2,1-2H3,(H,49,51)/b30-18+/t42-,43+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+3	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