Affinity Data by PDB ID

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PDB code 3I1Y

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	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Epoxide hydratase (555/555 = 100%)^† (Homo sapiens (Human))	BDBM50297413 (CHEMBL560537 \| N-(3,3-diphenyl-propyl)-nicotinamid...) Show SMILES O=C(NCCC(c1ccccc1)c1ccccc1)c1cccnc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human soluble EH				Bioorg Med Chem Lett 19: 5864-8 (2009) Article DOI: 10.1016/j.bmcl.2009.08.074 BindingDB Entry DOI: 10.7270/Q27944SC
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Epoxide hydratase (555/555 = 100%)^† (Homo sapiens (Human))	BDBM50297413 (CHEMBL560537 \| N-(3,3-diphenyl-propyl)-nicotinamid...) Show SMILES O=C(NCCC(c1ccccc1)c1ccccc1)c1cccnc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of rhodamine-labeled probe from human soluble epoxide hydrolase by fluorescence polarization assay				J Med Chem 52: 5880-95 (2009) Article DOI: 10.1021/jm9005302 BindingDB Entry DOI: 10.7270/Q2BG2P2G
Boehringer Ingelheim Pharmaceuticals 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