Affinity Data by PDB ID

PDB code 3WKE

Identical Ligands in BindingDB

Found 7 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	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Epoxide hydratase (555/555 = 100%)^† (Homo sapiens (Human))	BDBM50217448 (CHEMBL242459 \| US9029401, 1471 (t-AUCB) \| trans-4-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant soluble epoxide hydrolase using [3H]-tDPPO as substrate				Bioorg Med Chem Lett 23: 3818-21 (2013)
University of California Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Epoxide hydratase (555/555 = 100%)^† (Homo sapiens (Human))	BDBM50217448 (CHEMBL242459 \| US9029401, 1471 (t-AUCB) \| trans-4-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase after 10 mins by fluorescent-based assay				J Med Chem 54: 3037-50 (2011)
University of California Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Epoxide hydratase (555/555 = 100%)^† (Homo sapiens (Human))	BDBM50217448 (CHEMBL242459 \| US9029401, 1471 (t-AUCB) \| trans-4-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.30	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				J Med Chem 50: 3825-40 (2007)
University of California-Davis Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Epoxide hydratase (555/555 = 100%)^† (Homo sapiens (Human))	BDBM50217448 (CHEMBL242459 \| US9029401, 1471 (t-AUCB) \| trans-4-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase assessed as cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxyran-2-yl)methyl] carb...				Bioorg Med Chem Lett 23: 3732-7 (2013)
University of California Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Epoxide hydratase (555/555 = 100%)^† (Homo sapiens (Human))	BDBM50217448 (CHEMBL242459 \| US9029401, 1471 (t-AUCB) \| trans-4-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...				Bioorg Med Chem 20: 3255-62 (2012)
Colorado State University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Epoxide hydratase (555/555 = 100%)^† (Homo sapiens (Human))	BDBM50217448 (CHEMBL242459 \| US9029401, 1471 (t-AUCB) \| trans-4-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
The Regents of the University of California US Patent					Assay Description See reference (Jones, P. D.; Wolf, N. M.; Morisseau, C.; Whetstone, P.; Hock, B.; Hammock, B. D. Anal. Biochem. 343:66-75; 2005) for sEH assay.				Citation and Details
The Regents of the University of California US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Epoxide hydratase (555/555 = 100%)^† (Homo sapiens (Human))	BDBM50217448 (CHEMBL242459 \| US9029401, 1471 (t-AUCB) \| trans-4-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of California-Davis Curated by ChEMBL					Assay Description Inhibition of human sEH by fluorescent assay				J Med Chem 50: 3825-40 (2007)
University of California-Davis Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output