Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 329.3 BDBM50529842

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))	BDBM50529842 (CHEMBL4575474) Show SMILES O=C(Nc1cccnc1)c1ccccc1OCc1ccccc1C#N Show InChI InChI=1S/C20H15N3O2/c21-12-15-6-1-2-7-16(15)14-25-19-10-4-3-9-18(19)20(24)23-17-8-5-11-22-13-17/h1-11,13H,14H2,(H,23,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.18E+4	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))	BDBM50529842 (CHEMBL4575474) Show SMILES O=C(Nc1cccnc1)c1ccccc1OCc1ccccc1C#N Show InChI InChI=1S/C20H15N3O2/c21-12-15-6-1-2-7-16(15)14-25-19-10-4-3-9-18(19)20(24)23-17-8-5-11-22-13-17/h1-11,13H,14H2,(H,23,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.18E+4	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