BDBM50277230 CHEMBL4173139

SMILES: CCCCOC(=O)Nc1cccc(c1)C(O)CN1CCN(CC1)c1ccncc1

InChI Key: InChIKey=IGAPSVNSHXVKGJ-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 = 50277230   

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
Sphingosine kinase 1 (SPHK1) (Homo sapiens (Human))	BDBM50277230 (CHEMBL4173139) Show SMILES CCCCOC(=O)Nc1cccc(c1)C(O)CN1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C22H30N4O3/c1-2-3-15-29-22(28)24-19-6-4-5-18(16-19)21(27)17-25-11-13-26(14-12-25)20-7-9-23-10-8-20/h4-10,16,21,27H,2-3,11-15,17H2,1H3,(H,24,28)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de San Luis Curated by ChEMBL					Assay Description Inhibition of human N-terminal MGHHHHHHHHHHSSG-tagged SphK1 (2 to 384 residues) expressed in Escherichia coli Rosetta-2 by fluorescence assay				Eur J Med Chem 139: 461-481 (2017) Article DOI: 10.1016/j.ejmech.2017.08.017 BindingDB Entry DOI: 10.7270/Q2930WP5
					More data for this Ligand-Target Pair