BDBM50100523 CHEMBL3327086

SMILES: CCCCS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=QYIZKIYWRQWALF-UHFFFAOYSA-N

Data: 1 KI  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 3 hits for monomerid = 50100523   

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
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50100523 (CHEMBL3327086) Show SMILES CCCCS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C17H24F3N3O3S/c1-2-3-12-27(25,26)23-10-8-15(9-11-23)22-16(24)21-14-6-4-13(5-7-14)17(18,19)20/h4-7,15H,2-3,8-12H2,1H3,(H2,21,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Davis Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay				J Med Chem 57: 7016-30 (2014) Article DOI: 10.1021/jm500694p BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
					More data for this Ligand-Target Pair
Soluble epoxide hydrolase (sEH) (Mus musculus (Mouse))	BDBM50100523 (CHEMBL3327086) Show SMILES CCCCS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C17H24F3N3O3S/c1-2-3-12-27(25,26)23-10-8-15(9-11-23)22-16(24)21-14-6-4-13(5-7-14)17(18,19)20/h4-7,15H,2-3,8-12H2,1H3,(H2,21,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
The Regents of the University of California US Patent					Assay Description fluoresence competitive assay.				US Patent US9296693 (2016) BindingDB Entry DOI: 10.7270/Q2TX3D7M
					More data for this Ligand-Target Pair
Soluble epoxide hydrolase (sEH) (Mus musculus (Mouse))	BDBM50100523 (CHEMBL3327086) Show SMILES CCCCS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C17H24F3N3O3S/c1-2-3-12-27(25,26)23-10-8-15(9-11-23)22-16(24)21-14-6-4-13(5-7-14)17(18,19)20/h4-7,15H,2-3,8-12H2,1H3,(H2,21,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
The Regents of the University of California US Patent					Assay Description Trans-diphenylpropene oxide is used in a radiometric competitive assay.				US Patent US9296693 (2016) BindingDB Entry DOI: 10.7270/Q2TX3D7M
					More data for this Ligand-Target Pair