BDBM50302462 CHEMBL566648::N-(4-bromo-2-(trifluoromethoxy)benzyl)-6-(3,3,3-trifluoropropoxy)nicotinamide

SMILES: FC(F)(F)CCOc1ccc(cn1)C(=O)NCc1ccc(Br)cc1OC(F)(F)F

InChI Key: InChIKey=VLVJWVWVJRMAMD-UHFFFAOYSA-N

Data: 3 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 = 50302462   

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
Bifunctional epoxide hydrolase 2 (Rattus norvegicus)	BDBM50302462 (CHEMBL566648 | N-(4-bromo-2-(trifluoromethoxy)benz...) Show SMILES FC(F)(F)CCOc1ccc(cn1)C(=O)NCc1ccc(Br)cc1OC(F)(F)F Show InChI InChI=1S/C17H13BrF6N2O3/c18-12-3-1-10(13(7-12)29-17(22,23)24)8-26-15(27)11-2-4-14(25-9-11)28-6-5-16(19,20)21/h1-4,7,9H,5-6,8H2,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of rat sEH				Bioorg Med Chem Lett 19: 5864-8 (2009) Article DOI: 10.1016/j.bmcl.2009.08.074 BindingDB Entry DOI: 10.7270/Q27944SC
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50302462 (CHEMBL566648 | N-(4-bromo-2-(trifluoromethoxy)benz...) Show SMILES FC(F)(F)CCOc1ccc(cn1)C(=O)NCc1ccc(Br)cc1OC(F)(F)F Show InChI InChI=1S/C17H13BrF6N2O3/c18-12-3-1-10(13(7-12)29-17(22,23)24)8-26-15(27)11-2-4-14(25-9-11)28-6-5-16(19,20)21/h1-4,7,9H,5-6,8H2,(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of soluble EH in human HepG2 cells by cellular assay				Bioorg Med Chem Lett 19: 5864-8 (2009) Article DOI: 10.1016/j.bmcl.2009.08.074 BindingDB Entry DOI: 10.7270/Q27944SC
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50302462 (CHEMBL566648 | N-(4-bromo-2-(trifluoromethoxy)benz...) Show SMILES FC(F)(F)CCOc1ccc(cn1)C(=O)NCc1ccc(Br)cc1OC(F)(F)F Show InChI InChI=1S/C17H13BrF6N2O3/c18-12-3-1-10(13(7-12)29-17(22,23)24)8-26-15(27)11-2-4-14(25-9-11)28-6-5-16(19,20)21/h1-4,7,9H,5-6,8H2,(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human soluble EH				Bioorg Med Chem Lett 19: 5864-8 (2009) Article DOI: 10.1016/j.bmcl.2009.08.074 BindingDB Entry DOI: 10.7270/Q27944SC
					More data for this Ligand-Target Pair