Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingomyelinase C' and Ligand = 'BDBM248067'   

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)	BDBM248067 (TOM-2-18) Show SMILES CCCCCCOC[C@H](COCc1cccc(n1)-c1ccccn1)OCCCCCC |r| Show InChI InChI=1S/C26H40N2O3/c1-3-5-7-11-18-29-21-24(31-19-12-8-6-4-2)22-30-20-23-14-13-16-26(28-23)25-15-9-10-17-27-25/h9-10,13-17,24H,3-8,11-12,18-22H2,1-2H3/t24-/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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