Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Bifunctional epoxide hydrolase 2' and Ligand = 'BDBM409020'   

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))	BDBM409020 (US10377744, Compound No. 40 | US11123311, Compound...) Show SMILES CCOC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1 Show InChI InChI=1S/C16H19F4N3O4/c1-2-26-15(25)23-7-5-10(6-8-23)21-14(24)22-11-3-4-13(12(17)9-11)27-16(18,19)20/h3-4,9-10H,2,5-8H2,1H3,(H2,21,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0500	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))	BDBM409020 (US10377744, Compound No. 40 | US11123311, Compound...) Show SMILES CCOC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1 Show InChI InChI=1S/C16H19F4N3O4/c1-2-26-15(25)23-7-5-10(6-8-23)21-14(24)22-11-3-4-13(12(17)9-11)27-16(18,19)20/h3-4,9-10H,2,5-8H2,1H3,(H2,21,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<0.0500	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))	BDBM409020 (US10377744, Compound No. 40 | US11123311, Compound...) Show SMILES CCOC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1 Show InChI InChI=1S/C16H19F4N3O4/c1-2-26-15(25)23-7-5-10(6-8-23)21-14(24)22-11-3-4-13(12(17)9-11)27-16(18,19)20/h3-4,9-10H,2,5-8H2,1H3,(H2,21,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0500	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