Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sphingomyelin phosphodiesterase 2' and Ligand = 'BDBM50122310'   

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
Sphingomyelin phosphodiesterase 2 (Homo sapiens (Human))	BDBM50122310 (((2R,3R,4R)-1,1-Difluoro-3-hexadecanoylamino-2,4-d...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@H]([C@H](O)c1ccccc1)[C@@H](O)C(F)(F)P(O)(O)=O Show InChI InChI=1S/C26H44F2NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-22(30)29-23(24(31)21-18-15-14-16-19-21)25(32)26(27,28)36(33,34)35/h14-16,18-19,23-25,31-32H,2-13,17,20H2,1H3,(H,29,30)(H2,33,34,35)/t23-,24-,25-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.53E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Inhibitory activity against neutral sphingomyelinase (N-SMase) from bovine brain microsomes				Bioorg Med Chem Lett 13: 229-36 (2002) BindingDB Entry DOI: 10.7270/Q2K64HFH
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 2 (Homo sapiens (Human))	BDBM50122310 (((2R,3R,4R)-1,1-Difluoro-3-hexadecanoylamino-2,4-d...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@H]([C@H](O)c1ccccc1)[C@@H](O)C(F)(F)P(O)(O)=O Show InChI InChI=1S/C26H44F2NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-22(30)29-23(24(31)21-18-15-14-16-19-21)25(32)26(27,28)36(33,34)35/h14-16,18-19,23-25,31-32H,2-13,17,20H2,1H3,(H,29,30)(H2,33,34,35)/t23-,24-,25-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.77E+5	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Inhibitory activity of the compound against neutral sphingomyelinase (N-SMase) from bovine brain microsomes				Bioorg Med Chem Lett 13: 229-36 (2002) BindingDB Entry DOI: 10.7270/Q2K64HFH
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 2 (Homo sapiens (Human))	BDBM50122310 (((2R,3R,4R)-1,1-Difluoro-3-hexadecanoylamino-2,4-d...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@H]([C@H](O)c1ccccc1)[C@@H](O)C(F)(F)P(O)(O)=O Show InChI InChI=1S/C26H44F2NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-22(30)29-23(24(31)21-18-15-14-16-19-21)25(32)26(27,28)36(33,34)35/h14-16,18-19,23-25,31-32H,2-13,17,20H2,1H3,(H,29,30)(H2,33,34,35)/t23-,24-,25-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.77E+5	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Inhibitory activity against neutral sphingomyelinase (N-SMase) from bovine brain microsomes				Bioorg Med Chem Lett 13: 229-36 (2002) BindingDB Entry DOI: 10.7270/Q2K64HFH
					More data for this Ligand-Target Pair