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Inhibitor Report for: SB31184-49R-4Y2U

not really a good inhibitor IC50: 5.80e+5 (nM) using PHOME as substrate


General
Type Carbamate, Quinoline, Tert-Butylcarbamate
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 | 1 structure: 4Y2U: Structure of soluble epoxide hydrolase in complex with tert-butyl 1,2,3,4-tetrahydroquinolin-3-ylcarbamate
Protein | human-EPHX2

References:
Search PubMed for references concerning: SB31184-49R-4Y2U
    Title: Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening
    Amano Y, Tanabe E, Yamaguchi T
    Ref: Bioorganic & Medicinal Chemistry, :, 2015 : PubMed