BDBM50100520 CHEMBL3327077::US10377744, Compound No. 2422

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

InChI Key: InChIKey=HUQRFIVGTWYKFR-UHFFFAOYSA-N

Data: 2 KI  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 5 hits for monomerid = 50100520   

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))	BDBM50100520 (CHEMBL3327077 | US10377744, Compound No. 2422 | US...) Show SMILES CC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C17H22F3N3O3/c1-11(2)15(24)23-9-7-13(8-10-23)22-16(25)21-12-3-5-14(6-4-12)26-17(18,19)20/h3-6,11,13H,7-10H2,1-2H3,(H2,21,22,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eicosis, LLC US Patent					Assay Description FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...				US Patent US10377744 (2019) BindingDB Entry DOI: 10.7270/Q2N3009K
					More data for this Ligand-Target Pair
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50100520 (CHEMBL3327077 | US10377744, Compound No. 2422 | US...) Show SMILES CC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C17H22F3N3O3/c1-11(2)15(24)23-9-7-13(8-10-23)22-16(25)21-12-3-5-14(6-4-12)26-17(18,19)20/h3-6,11,13H,7-10H2,1-2H3,(H2,21,22,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50100520 (CHEMBL3327077 | US10377744, Compound No. 2422 | US...) Show SMILES CC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C17H22F3N3O3/c1-11(2)15(24)23-9-7-13(8-10-23)22-16(25)21-12-3-5-14(6-4-12)26-17(18,19)20/h3-6,11,13H,7-10H2,1-2H3,(H2,21,22,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.310	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
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50100520 (CHEMBL3327077 | US10377744, Compound No. 2422 | US...) Show SMILES CC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C17H22F3N3O3/c1-11(2)15(24)23-9-7-13(8-10-23)22-16(25)21-12-3-5-14(6-4-12)26-17(18,19)20/h3-6,11,13H,7-10H2,1-2H3,(H2,21,22,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Epoxide hydrolase 2 (Rattus norvegicus)	BDBM50100520 (CHEMBL3327077 | US10377744, Compound No. 2422 | US...) Show SMILES CC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C17H22F3N3O3/c1-11(2)15(24)23-9-7-13(8-10-23)22-16(25)21-12-3-5-14(6-4-12)26-17(18,19)20/h3-6,11,13H,7-10H2,1-2H3,(H2,21,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of California Davis Curated by ChEMBL					Assay Description Inhibition of rat soluble epoxide hydrolase using [3H]-t-DPPO as a substrate by radiometric 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