Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Bifunctional epoxide hydrolase 2' and Ligand = 'BDBM408981'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM408981 (US10377744, Compound No. 2 | US11123311, Compound ...) Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)c2cc[nH]c2)cc1 Show InChI InChI=1S/C18H19F3N4O3/c19-18(20,21)28-15-3-1-13(2-4-15)23-17(27)24-14-6-9-25(10-7-14)16(26)12-5-8-22-11-12/h1-5,8,11,14,22H,6-7,9-10H2,(H2,23,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.640	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
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM408981 (US10377744, Compound No. 2 | US11123311, Compound ...) Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)c2cc[nH]c2)cc1 Show InChI InChI=1S/C18H19F3N4O3/c19-18(20,21)28-15-3-1-13(2-4-15)23-17(27)24-14-6-9-25(10-7-14)16(26)12-5-8-22-11-12/h1-5,8,11,14,22H,6-7,9-10H2,(H2,23,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human sEH expressed in baculovirus expression system assessed as reduction in ACPU binding incubated for 1 hr by FRET displ...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115735 BindingDB Entry DOI: 10.7270/Q2SF30T4
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM408981 (US10377744, Compound No. 2 | US11123311, Compound ...) Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)c2cc[nH]c2)cc1 Show InChI InChI=1S/C18H19F3N4O3/c19-18(20,21)28-15-3-1-13(2-4-15)23-17(27)24-14-6-9-25(10-7-14)16(26)12-5-8-22-11-12/h1-5,8,11,14,22H,6-7,9-10H2,(H2,23,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Any of a number of standard assays for determining epoxide hydrolase activity can be used to determine inhibition of sEH. For example, suitable assay...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Q81H7M
					More data for this Ligand-Target Pair