BDBM50447006 CHEMBL3116081

SMILES: Clc1ccc(NC(C#N)c2ccccc2OCc2ccccc2)cc1

InChI Key: InChIKey=UGKYPKXTGSNQII-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50447006   

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))	BDBM50447006 (CHEMBL3116081) Show SMILES Clc1ccc(NC(C#N)c2ccccc2OCc2ccccc2)cc1 Show InChI InChI=1S/C21H17ClN2O/c22-17-10-12-18(13-11-17)24-20(14-23)19-8-4-5-9-21(19)25-15-16-6-2-1-3-7-16/h1-13,20,24H,15H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.25E+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) expressed in H5 insect cells using C6-NBD-Cer as substrate after 1 hr				Eur J Med Chem 73: 1-7 (2014) Article DOI: 10.1016/j.ejmech.2013.12.002 BindingDB Entry DOI: 10.7270/Q2805430
					More data for this Ligand-Target Pair