BDBM248060 SMY-632

SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COCc1cccc(c1)-c1ccccn1)NC(=O)CCCCC

InChI Key: InChIKey=AIVLBZIEERHAGJ-QRAILKMUSA-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 = 248060   

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)	BDBM248060 (SMY-632) Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COCc1cccc(c1)-c1ccccn1)NC(=O)CCCCC |r| Show InChI InChI=1S/C36H56N2O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-25-35(39)34(38-36(40)26-17-6-4-2)30-41-29-31-22-21-23-32(28-31)33-24-19-20-27-37-33/h18-25,27-28,34-35,39H,3-17,26,29-30H2,1-2H3,(H,38,40)/b25-18+/t34-,35+/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
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