Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 424.9 BDBM50529822

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

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
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50529822 (CHEMBL4558411) Show SMILES ClCCCCCOc1ccccc1COc1ccccc1C(=O)Nc1cccnc1 Show InChI InChI=1S/C24H25ClN2O3/c25-14-6-1-7-16-29-22-12-4-2-9-19(22)18-30-23-13-5-3-11-21(23)24(28)27-20-10-8-15-26-17-20/h2-5,8-13,15,17H,1,6-7,14,16,18H2,(H,27,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of SMS2 (unknown origin) over-expressed in H5 insect cell lysate using C6-NBD-Ceramide and DMPC as substrates preincubated for 30 mins fol...				Eur J Med Chem 163: 864-882 (2019) Article DOI: 10.1016/j.ejmech.2018.12.028 BindingDB Entry DOI: 10.7270/Q2NZ8C4J
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50529822 (CHEMBL4558411) Show SMILES ClCCCCCOc1ccccc1COc1ccccc1C(=O)Nc1cccnc1 Show InChI InChI=1S/C24H25ClN2O3/c25-14-6-1-7-16-29-22-12-4-2-9-19(22)18-30-23-13-5-3-11-21(23)24(28)27-20-10-8-15-26-17-20/h2-5,8-13,15,17H,1,6-7,14,16,18H2,(H,27,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of SMS2 (unknown origin) over-expressed in H5 insect cell lysate using C6-NBD-Ceramide and DMPC as substrates preincubated for 30 mins fol...				Eur J Med Chem 163: 864-882 (2019) Article DOI: 10.1016/j.ejmech.2018.12.028 BindingDB Entry DOI: 10.7270/Q2NZ8C4J
					More data for this Ligand-Target Pair