SB31184-49R-4Y2U
not really a good inhibitor IC50: 5.80e+5 (nM) using PHOME as substrate
General
Type : Carbamate,Quinoline,tert-Butyloxycarbonyl,tert-Butyl
Chemical_Nomenclature : tert-butyl N-[(3R)-1,2,3,4-tetrahydroquinolin-3-yl]carbamate
Canonical SMILES : CC(C)(C)OC(=O)NC1CC2=CC=CC=C2NC1
InChI : InChI=1S\/C14H20N2O2\/c1-14(2,3)18-13(17)16-11-8-10-6-4-5-7-12(10)15-9-11\/h4-7,11,15H,8-9H2,1-3H3,(H,16,17)\/t11-\/m1\/s1
InChIKey : GAURNOYXRZQBNV-LLVKDONJSA-N
Other name(s) : (R)-(1,2,3,4-Tetrahydro-quinolin-3-yl)-carbamic acid tert-butyl ester,Tert-Butyl (3r)-1,2,3,4-Tetrahydroquinolin-3-Ylcarbamate,ZINC4202329,SB31184,49R,Q27454535
MW : 248.32
Formula : C14H20N2O2
CAS_number : 1187928-12-6
PubChem : 40478904
UniChem : GAURNOYXRZQBNV-LLVKDONJSA-N
IUPHAR :
Wikipedia :
Target
Families : SB31184-49R-4Y2U ligand of proteins in family: Epoxide_hydrolase
Stucture : 4Y2U Structure of soluble epoxide hydrolase in complex with tert-butyl 1,2,3,4-tetrahydroquinolin-3-ylcarbamate
Protein : human-EPHX2
References (1)
| Title : Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening - Amano_2015_Bioorg.Med.Chem_23_2310 |
| Author(s) : Amano Y , Tanabe E , Yamaguchi T |
| Ref : Bioorganic & Medicinal Chemistry , : , 2015 |
| Abstract : Amano_2015_Bioorg.Med.Chem_23_2310 |
| ESTHER : Amano_2015_Bioorg.Med.Chem_23_2310 |
| PubMedSearch : Amano_2015_Bioorg.Med.Chem_23_2310 |
| PubMedID: 25862210 |
| Gene_locus related to this paper: human-EPHX2 |