BDBM25731 1,3-dicyclohexylurea::CHEMBL1458::US8815951, 1,3-dicyclohexylurea::Urea-based compound, 12

SMILES: O=C(NC1CCCCC1)NC1CCCCC1

InChI Key: InChIKey=ADFXKUOMJKEIND-UHFFFAOYSA-N

Data: 11 IC50

PDB links: 7 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 25731   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Epoxide Hydrolase B (EHB) (Mycobacterium tuberculosis)	BDBM25731 (1,3-dicyclohexylurea | CHEMBL1458 | US8815951, 1,3...) Show SMILES O=C(NC1CCCCC1)NC1CCCCC1 Show InChI InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	7.0	30
University of Alberta					Assay Description Enzyme activity was measured by monitoring the appearance of fluorescent product, 6-methoxy-naphthaldehyde (ex@330 nm and em@ 465 nm) on a SpectraMax...				J Mol Biol 381: 897-912 (2008) Article DOI: 10.1016/j.jmb.2008.06.030 BindingDB Entry DOI: 10.7270/Q2D50K94
					More data for this Ligand-Target Pair
Epoxide hydrolase (MsEH) (Mus musculus (Mouse))	BDBM25731 (1,3-dicyclohexylurea | CHEMBL1458 | US8815951, 1,3...) Show SMILES O=C(NC1CCCCC1)NC1CCCCC1 Show InChI InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
The Regents of the University of California US Patent					Assay Description The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...				US Patent US8815951 (2014) BindingDB Entry DOI: 10.7270/Q2BP01G9
					More data for this Ligand-Target Pair
Epoxide hydrolase 1 (Homo sapiens (Human))	BDBM25731 (1,3-dicyclohexylurea | CHEMBL1458 | US8815951, 1,3...) Show SMILES O=C(NC1CCCCC1)NC1CCCCC1 Show InChI InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
The Regents of the University of California US Patent					Assay Description The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...				US Patent US8815951 (2014) BindingDB Entry DOI: 10.7270/Q2BP01G9
					More data for this Ligand-Target Pair
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM25731 (1,3-dicyclohexylurea | CHEMBL1458 | US8815951, 1,3...) Show SMILES O=C(NC1CCCCC1)NC1CCCCC1 Show InChI InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human full-length C-terminal His6-tagged sEH expressed in Escherichia coli BL21(DE3) cells using PHOME as substrate incubated with enzy...				Bioorg Med Chem 22: 2427-34 (2014) Article DOI: 10.1016/j.bmc.2014.03.001 BindingDB Entry DOI: 10.7270/Q2NV9KRF
					More data for this Ligand-Target Pair
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM25731 (1,3-dicyclohexylurea | CHEMBL1458 | US8815951, 1,3...) Show SMILES O=C(NC1CCCCC1)NC1CCCCC1 Show InChI InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Volzhsky Polytechnic Institute (branch) Volgograd State Technical University Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins followed by substrate addition measured at...				Bioorg Med Chem Lett 24: 2193-7 (2014) Article DOI: 10.1016/j.bmcl.2014.03.016 BindingDB Entry DOI: 10.7270/Q2PR7XHZ
					More data for this Ligand-Target Pair
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM25731 (1,3-dicyclohexylurea | CHEMBL1458 | US8815951, 1,3...) Show SMILES O=C(NC1CCCCC1)NC1CCCCC1 Show InChI InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
The Barcelona Institute for Research in Biomedicine (IRB Barcelona) Curated by ChEMBL					Assay Description Inhibition of soluble epoxide hydrolase (unknown origin)				Bioorg Med Chem 24: 4961-4969 (2016) Article DOI: 10.1016/j.bmc.2016.08.010
					More data for this Ligand-Target Pair
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM25731 (1,3-dicyclohexylurea | CHEMBL1458 | US8815951, 1,3...) Show SMILES O=C(NC1CCCCC1)NC1CCCCC1 Show InChI InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of sEH (unknown origin)				ACS Med Chem Lett 7: 341-4 (2016) BindingDB Entry DOI: 10.7270/Q2NG4SJJ
					More data for this Ligand-Target Pair
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM25731 (1,3-dicyclohexylurea | CHEMBL1458 | US8815951, 1,3...) Show SMILES O=C(NC1CCCCC1)NC1CCCCC1 Show InChI InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase using CMNPC as substrate after 5 mins by fluorescent assay				Bioorg Med Chem Lett 22: 601-5 (2011) Article DOI: 10.1016/j.bmcl.2011.10.074 BindingDB Entry DOI: 10.7270/Q2TM7BJ7
					More data for this Ligand-Target Pair
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM25731 (1,3-dicyclohexylurea | CHEMBL1458 | US8815951, 1,3...) Show SMILES O=C(NC1CCCCC1)NC1CCCCC1 Show InChI InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	52	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
					More data for this Ligand-Target Pair
Epoxide hydrolase 1 (Homo sapiens (Human))	BDBM25731 (1,3-dicyclohexylurea | CHEMBL1458 | US8815951, 1,3...) Show SMILES O=C(NC1CCCCC1)NC1CCCCC1 Show InChI InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of microsomal epoxide hydrolase (unknown origin) using 7-(2-(Oxiran-2- yl)ethoxy) Resorufin by fluorometric method				Citation and Details Article DOI: 10.1007/s00044-011-9953-1 BindingDB Entry DOI: 10.7270/Q2639SK2
					More data for this Ligand-Target Pair
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM25731 (1,3-dicyclohexylurea | CHEMBL1458 | US8815951, 1,3...) Show SMILES O=C(NC1CCCCC1)NC1CCCCC1 Show InChI InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Volzhsky Polytechnic Institute (branch) Volgograd State Technical University Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins followed by substrate addition measured at...				Bioorg Med Chem Lett 24: 2193-7 (2014) Article DOI: 10.1016/j.bmcl.2014.03.016 BindingDB Entry DOI: 10.7270/Q2PR7XHZ
					More data for this Ligand-Target Pair