BDBM50529849 CHEMBL4437032

SMILES: CC(Nc1ccccc1)(C#N)c1ccccc1OCc1ccccc1

InChI Key: InChIKey=JPJJDPVBFLTXJP-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50529849   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50529849 (CHEMBL4437032) Show SMILES CC(Nc1ccccc1)(C#N)c1ccccc1OCc1ccccc1 Show InChI InChI=1S/C22H20N2O/c1-22(17-23,24-19-12-6-3-7-13-19)20-14-8-9-15-21(20)25-16-18-10-4-2-5-11-18/h2-15,24H,16H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+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
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50529849 (CHEMBL4437032) Show SMILES CC(Nc1ccccc1)(C#N)c1ccccc1OCc1ccccc1 Show InChI InChI=1S/C22H20N2O/c1-22(17-23,24-19-12-6-3-7-13-19)20-14-8-9-15-21(20)25-16-18-10-4-2-5-11-18/h2-15,24H,16H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+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
					More data for this Ligand-Target Pair