BindingDB PrimarySearch

BDBM50217448 CHEMBL242459::US9029401, 1471 (t-AUCB)::trans-4-[4-(3-adamantan-1-ylureido)cyclohexyloxy]benzoic acid

SMILES: OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1

InChI Key: InChIKey=KNBWKJBQDAQARU-KSSCSKLYSA-N

Data: 1 KI 13 IC50

PDB links: 3 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50217448
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50217448 (CHEMBL242459 \| US9029401, 1471 (t-AUCB) \| trans-4-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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) Article DOI: 10.1016/j.bmcl.2013.04.083 BindingDB Entry DOI: 10.7270/Q25X2BBV
University of California Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclooxygenase (Homo sapiens (Human))	BDBM50217448 (CHEMBL242459 \| US9029401, 1471 (t-AUCB) \| trans-4-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+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 COX-2 after 2 mins by fluorescence assay				J Med Chem 54: 3037-50 (2011) Article DOI: 10.1021/jm2001376 BindingDB Entry DOI: 10.7270/Q29W0FS2
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50217448 (CHEMBL242459 \| US9029401, 1471 (t-AUCB) \| trans-4-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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) Article DOI: 10.1021/jm2001376 BindingDB Entry DOI: 10.7270/Q29W0FS2
University of California Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50217448 (CHEMBL242459 \| US9029401, 1471 (t-AUCB) \| trans-4-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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) Article DOI: 10.1021/jm070270t BindingDB Entry DOI: 10.7270/Q2TQ62BW
University of California-Davis Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Epoxide hydrolase 2 (Rattus norvegicus)	BDBM50217448 (CHEMBL242459 \| US9029401, 1471 (t-AUCB) \| trans-4-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
University of California-Davis Curated by ChEMBL					Assay Description Inhibition of rat recombinant soluble epoxide hydrolase by fluorescent assay				J Med Chem 50: 3825-40 (2007) Article DOI: 10.1021/jm070270t BindingDB Entry DOI: 10.7270/Q2TQ62BW
University of California-Davis Curated by ChEMBL					More data for this Ligand-Target Pair
Soluble epoxide hydrolase (sEH) (Mus musculus (Mouse))	BDBM50217448 (CHEMBL242459 \| US9029401, 1471 (t-AUCB) \| trans-4-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
University of California-Davis Curated by ChEMBL					Assay Description Inhibition of mouse recombinant soluble epoxide hydrolase by fluorescent assay				J Med Chem 50: 3825-40 (2007) Article DOI: 10.1021/jm070270t BindingDB Entry DOI: 10.7270/Q2TQ62BW
University of California-Davis Curated by ChEMBL					More data for this Ligand-Target Pair
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50217448 (CHEMBL242459 \| US9029401, 1471 (t-AUCB) \| trans-4-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of recombinant human liver soluble epoxide hydrolase expressed in baculovirus infected Sf21 cells using NEPC as substrate by fluorescence ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115078
Universitat de Barcelona Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50217448 (CHEMBL242459 \| US9029401, 1471 (t-AUCB) \| trans-4-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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) Article DOI: 10.1016/j.bmcl.2013.05.011 BindingDB Entry DOI: 10.7270/Q2057HBP
University of California Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50217448 (CHEMBL242459 \| US9029401, 1471 (t-AUCB) \| trans-4-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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) Article DOI: 10.1016/j.bmc.2012.03.058 BindingDB Entry DOI: 10.7270/Q28W3FB2
Colorado State University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50217448 (CHEMBL242459 \| US9029401, 1471 (t-AUCB) \| trans-4-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3	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 expressed in baculovirus-infected High Five cells S9 fraction using CMNPC substrate by fluo...				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
University of California Davis Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50217448 (CHEMBL242459 \| US9029401, 1471 (t-AUCB) \| trans-4-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Davis Curated by ChEMBL					Assay Description Inhibition of human FAAH expressed in baculovirus-infected High Five cells S9 fraction using OMP substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
University of California Davis Curated by ChEMBL					More data for this Ligand-Target Pair
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50217448 (CHEMBL242459 \| US9029401, 1471 (t-AUCB) \| trans-4-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 Chieti "G. d.Annunzio" Curated by ChEMBL					Assay Description Inhibition of soluble epoxide hydrolase (unknown origin)				Eur J Med Chem 173: 261-273 (2019) Article DOI: 10.1016/j.ejmech.2019.04.030
University of Chieti "G. d.Annunzio" Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50217448 (CHEMBL242459 \| US9029401, 1471 (t-AUCB) \| trans-4-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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.				US Patent US9029401 (2015) BindingDB Entry DOI: 10.7270/Q24Q7SR4
The Regents of the University of California US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50217448 (CHEMBL242459 \| US9029401, 1471 (t-AUCB) \| trans-4-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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) Article DOI: 10.1021/jm070270t BindingDB Entry DOI: 10.7270/Q2TQ62BW
University of California-Davis Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)