BDBM50529835 CHEMBL4542702

SMILES: COc1ccc(OC)c(COc2ccccc2C(=O)Nc2cccnc2)c1

InChI Key: InChIKey=JYTNXBVKPSATBU-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 = 50529835   

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))	BDBM50529835 (CHEMBL4542702) Show SMILES COc1ccc(OC)c(COc2ccccc2C(=O)Nc2cccnc2)c1 Show InChI InChI=1S/C21H20N2O4/c1-25-17-9-10-19(26-2)15(12-17)14-27-20-8-4-3-7-18(20)21(24)23-16-6-5-11-22-13-16/h3-13H,14H2,1-2H3,(H,23,24)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	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))	BDBM50529835 (CHEMBL4542702) Show SMILES COc1ccc(OC)c(COc2ccccc2C(=O)Nc2cccnc2)c1 Show InChI InChI=1S/C21H20N2O4/c1-25-17-9-10-19(26-2)15(12-17)14-27-20-8-4-3-7-18(20)21(24)23-16-6-5-11-22-13-16/h3-13H,14H2,1-2H3,(H,23,24)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	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