Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingomyelin phosphodiesterase' and Ligand = 'BDBM50370157'   

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 (Homo sapiens)	BDBM50370157 (CHEMBL1986027) Show SMILES CC1=C(C(c2ccc(Cl)cc2)n2c(=O)\c(=C/c3cccc(OCC(O)=O)c3)sc2=N1)C(=O)Nc1ccccc1 |c:31,t:1| Show InChI InChI=1S/C29H22ClN3O5S/c1-17-25(27(36)32-21-7-3-2-4-8-21)26(19-10-12-20(30)13-11-19)33-28(37)23(39-29(33)31-17)15-18-6-5-9-22(14-18)38-16-24(34)35/h2-15,26H,16H2,1H3,(H,32,36)(H,34,35)/b23-15+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay				Eur J Med Chem 151: 389-400 (2018) Article DOI: 10.1016/j.ejmech.2018.03.065 BindingDB Entry DOI: 10.7270/Q21R6T2M
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