Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingomyelinase C' and Ligand = 'BDBM248066'   

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)	BDBM248066 (TOM-2-7) Show SMILES CCCCCC(=O)OC[C@H](COCc1cccc(n1)-c1ccccn1)OC(=O)CCCCC |r| Show InChI InChI=1S/C26H36N2O5/c1-3-5-7-15-25(29)32-20-22(33-26(30)16-8-6-4-2)19-31-18-21-12-11-14-24(28-21)23-13-9-10-17-27-23/h9-14,17,22H,3-8,15-16,18-20H2,1-2H3/t22-/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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