Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingomyelinase C' and Ligand = 'BDBM248068'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sphingomyelinase C (Bacillus cereus)	BDBM248068 (TOM-2-37) Show SMILES CCCCCCCCCCCCCCCCOC[C@H](COCc1cccc(n1)-c1ccccn1)OCCCCCCCCCCCCCCCC |r| Show InChI InChI=1S/C46H80N2O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-38-49-41-44(42-50-40-43-34-33-36-46(48-43)45-35-29-30-37-47-45)51-39-32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30,33-37,44H,3-28,31-32,38-42H2,1-2H3/t44-/m1/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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