Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Bifunctional epoxide hydrolase 2' and Ligand = 'BDBM408998'   

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))	BDBM408998 (US10377744, Compound No. 19 | US11123311, Compound...) Show SMILES CC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1 Show InChI InChI=1S/C17H21F4N3O3/c1-10(2)15(25)24-7-5-11(6-8-24)22-16(26)23-12-3-4-14(13(18)9-12)27-17(19,20)21/h3-4,9-11H,5-8H2,1-2H3,(H2,22,23,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM408998 (US10377744, Compound No. 19 | US11123311, Compound...) Show SMILES CC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1 Show InChI InChI=1S/C17H21F4N3O3/c1-10(2)15(25)24-7-5-11(6-8-24)22-16(26)23-12-3-4-14(13(18)9-12)27-17(19,20)21/h3-4,9-11H,5-8H2,1-2H3,(H2,22,23,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.310	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))	BDBM408998 (US10377744, Compound No. 19 | US11123311, Compound...) Show SMILES CC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1 Show InChI InChI=1S/C17H21F4N3O3/c1-10(2)15(25)24-7-5-11(6-8-24)22-16(26)23-12-3-4-14(13(18)9-12)27-17(19,20)21/h3-4,9-11H,5-8H2,1-2H3,(H2,22,23,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to purified recombinant human sEH by FRET-displacement assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01886 BindingDB Entry DOI: 10.7270/Q22V2KSZ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM408998 (US10377744, Compound No. 19 | US11123311, Compound...) Show SMILES CC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1 Show InChI InChI=1S/C17H21F4N3O3/c1-10(2)15(25)24-7-5-11(6-8-24)22-16(26)23-12-3-4-14(13(18)9-12)27-17(19,20)21/h3-4,9-11H,5-8H2,1-2H3,(H2,22,23,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.310	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