Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sphingomyelinase C' and Ligand = 'BDBM248063'   

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)	BDBM248063 (SMY-540) Show SMILES CCCCCC(=O)N[C@@H](COCc1cccc(n1)-c1ccccn1)[C@H](O)c1ccccc1 |r| Show InChI InChI=1S/C26H31N3O3/c1-2-3-5-16-25(30)29-24(26(31)20-11-6-4-7-12-20)19-32-18-21-13-10-15-23(28-21)22-14-8-9-17-27-22/h4,6-15,17,24,26,31H,2-3,5,16,18-19H2,1H3,(H,29,30)/t24-,26+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30E+3	-34.9	800	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
Sphingomyelinase C (Bacillus cereus)	BDBM248063 (SMY-540) Show SMILES CCCCCC(=O)N[C@@H](COCc1cccc(n1)-c1ccccn1)[C@H](O)c1ccccc1 |r| Show InChI InChI=1S/C26H31N3O3/c1-2-3-5-16-25(30)29-24(26(31)20-11-6-4-7-12-20)19-32-18-21-13-10-15-23(28-21)22-14-8-9-17-27-22/h4,6-15,17,24,26,31H,2-3,5,16,18-19H2,1H3,(H,29,30)/t24-,26+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Functional potency against Tachykinin receptor 2 (NK2) in rabbit pulmonary artery assay				Citation and Details
					More data for this Ligand-Target Pair
Sphingomyelinase C (Bacillus cereus)	BDBM248063 (SMY-540) Show SMILES CCCCCC(=O)N[C@@H](COCc1cccc(n1)-c1ccccn1)[C@H](O)c1ccccc1 |r| Show InChI InChI=1S/C26H31N3O3/c1-2-3-5-16-25(30)29-24(26(31)20-11-6-4-7-12-20)19-32-18-21-13-10-15-23(28-21)22-14-8-9-17-27-22/h4,6-15,17,24,26,31H,2-3,5,16,18-19H2,1H3,(H,29,30)/t24-,26+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Functional potency against Tachykinin receptor 2 (NK2) in rabbit pulmonary artery assay				Citation and Details
					More data for this Ligand-Target Pair