Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 438.9 BDBM50529852

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))	BDBM50529852 (CHEMBL4472866) Show SMILES ClCCCCCCOc1ccccc1COc1ccccc1C(=O)Nc1cccnc1 Show InChI InChI=1S/C25H27ClN2O3/c26-15-7-1-2-8-17-30-23-13-5-3-10-20(23)19-31-24-14-6-4-12-22(24)25(29)28-21-11-9-16-27-18-21/h3-6,9-14,16,18H,1-2,7-8,15,17,19H2,(H,28,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	470	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))	BDBM50529852 (CHEMBL4472866) Show SMILES ClCCCCCCOc1ccccc1COc1ccccc1C(=O)Nc1cccnc1 Show InChI InChI=1S/C25H27ClN2O3/c26-15-7-1-2-8-17-30-23-13-5-3-10-20(23)19-31-24-14-6-4-12-22(24)25(29)28-21-11-9-16-27-18-21/h3-6,9-14,16,18H,1-2,7-8,15,17,19H2,(H,28,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	470	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