Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   

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   (555/555 = 100%)† (Homo sapiens (Human))	BDBM50100518 (CHEMBL3327064 | US10377744, Compound No. 2389) Show SMILES CC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C17H22F3N3O2/c1-11(2)15(24)23-9-7-14(8-10-23)22-16(25)21-13-5-3-12(4-6-13)17(18,19)20/h3-6,11,14H,7-10H2,1-2H3,(H2,21,22,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB US Patent	0.660	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				3D Structure (crystal)
Bifunctional epoxide hydrolase 2   (555/555 = 100%)† (Homo sapiens (Human))	BDBM50100518 (CHEMBL3327064 | US10377744, Compound No. 2389) Show SMILES CC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C17H22F3N3O2/c1-11(2)15(24)23-9-7-14(8-10-23)22-16(25)21-13-5-3-12(4-6-13)17(18,19)20/h3-6,11,14H,7-10H2,1-2H3,(H2,21,22,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.660	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				3D Structure (crystal)

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