BindingDB PrimarySearch

BDBM50305629 CHEMBL589136::N-(2,4-dichlorobenzyl)-4-(pyrimidin-2-yloxy)piperidine-1-carboxamide

SMILES: Clc1ccc(CNC(=O)N2CCC(CC2)Oc2ncccn2)c(Cl)c1

InChI Key: InChIKey=UZEPPAOAIDTLTK-UHFFFAOYSA-N

Data: 13 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50305629
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))	BDBM50305629 (CHEMBL589136 \| N-(2,4-dichlorobenzyl)-4-(pyrimidin...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	15	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				Bioorg Med Chem Lett 20: 571-5 (2010) Article DOI: 10.1016/j.bmcl.2009.11.091 BindingDB Entry DOI: 10.7270/Q23R0SZ6
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50305629 (CHEMBL589136 \| N-(2,4-dichlorobenzyl)-4-(pyrimidin...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase in human HepG cells assessed as conversion of epoxyeicosatienoic acid to dihydroxyeicosatrienoic acid a...				Bioorg Med Chem Lett 20: 571-5 (2010) Article DOI: 10.1016/j.bmcl.2009.11.091 BindingDB Entry DOI: 10.7270/Q23R0SZ6
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50305629 (CHEMBL589136 \| N-(2,4-dichlorobenzyl)-4-(pyrimidin...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2J2				Bioorg Med Chem Lett 20: 571-5 (2010) Article DOI: 10.1016/j.bmcl.2009.11.091 BindingDB Entry DOI: 10.7270/Q23R0SZ6
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50305629 (CHEMBL589136 \| N-(2,4-dichlorobenzyl)-4-(pyrimidin...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 20: 571-5 (2010) Article DOI: 10.1016/j.bmcl.2009.11.091 BindingDB Entry DOI: 10.7270/Q23R0SZ6
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50305629 (CHEMBL589136 \| N-(2,4-dichlorobenzyl)-4-(pyrimidin...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2C19				Bioorg Med Chem Lett 20: 571-5 (2010) Article DOI: 10.1016/j.bmcl.2009.11.091 BindingDB Entry DOI: 10.7270/Q23R0SZ6
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50305629 (CHEMBL589136 \| N-(2,4-dichlorobenzyl)-4-(pyrimidin...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase assessed as [2-3H]-trans-1,3-diphenyl propylene oxide hydrolysis by cellular assay				Bioorg Med Chem Lett 20: 3703-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.078 BindingDB Entry DOI: 10.7270/Q2BV7GTJ
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50305629 (CHEMBL589136 \| N-(2,4-dichlorobenzyl)-4-(pyrimidin...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C9				J Med Chem 55: 1789-808 (2012) Article DOI: 10.1021/jm201468j BindingDB Entry DOI: 10.7270/Q2639QTC
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50305629 (CHEMBL589136 \| N-(2,4-dichlorobenzyl)-4-(pyrimidin...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase				Bioorg Med Chem Lett 20: 3703-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.078 BindingDB Entry DOI: 10.7270/Q2BV7GTJ
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50305629 (CHEMBL589136 \| N-(2,4-dichlorobenzyl)-4-(pyrimidin...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2J2				Bioorg Med Chem Lett 20: 3703-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.078 BindingDB Entry DOI: 10.7270/Q2BV7GTJ
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50305629 (CHEMBL589136 \| N-(2,4-dichlorobenzyl)-4-(pyrimidin...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	2.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 20: 3703-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.078 BindingDB Entry DOI: 10.7270/Q2BV7GTJ
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50305629 (CHEMBL589136 \| N-(2,4-dichlorobenzyl)-4-(pyrimidin...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C19				J Med Chem 55: 1789-808 (2012) Article DOI: 10.1021/jm201468j BindingDB Entry DOI: 10.7270/Q2639QTC
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50305629 (CHEMBL589136 \| N-(2,4-dichlorobenzyl)-4-(pyrimidin...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2J2				J Med Chem 55: 1789-808 (2012) Article DOI: 10.1021/jm201468j BindingDB Entry DOI: 10.7270/Q2639QTC
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Epoxide hydrolase 2 (Rattus norvegicus)	BDBM50305629 (CHEMBL589136 \| N-(2,4-dichlorobenzyl)-4-(pyrimidin...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of rat soluble epoxide hydrolase				Bioorg Med Chem Lett 20: 3703-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.078 BindingDB Entry DOI: 10.7270/Q2BV7GTJ
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair