BindingDB PrimarySearch

BDBM50268440 2-(2,4-dichlorophenyl)-1-(6-(methylsulfonyl)spiro[chroman-2,4'-piperidine]-1'-yl)ethanone::CHEMBL497829

SMILES: CS(=O)(=O)c1ccc2OC3(CCN(CC3)C(=O)Cc3ccc(Cl)cc3Cl)CCc2c1

InChI Key: InChIKey=RTSHWIRSEUIDML-UHFFFAOYSA-N

Data: 8 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50268440
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))	BDBM50268440 (2-(2,4-dichlorophenyl)-1-(6-(methylsulfonyl)spiro[...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase in HEK293 cells assessed as DHET production				Bioorg Med Chem Lett 19: 3398-404 (2009) Article DOI: 10.1016/j.bmcl.2009.05.036 BindingDB Entry DOI: 10.7270/Q20C4VP7
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50268440 (2-(2,4-dichlorophenyl)-1-(6-(methylsulfonyl)spiro[...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Voltage-gated sodium channel subunit alpha Nav1.5				Bioorg Med Chem Lett 19: 3398-404 (2009) Article DOI: 10.1016/j.bmcl.2009.05.036 BindingDB Entry DOI: 10.7270/Q20C4VP7
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Epoxide hydrolase 1 (Homo sapiens (Human))	BDBM50268440 (2-(2,4-dichlorophenyl)-1-(6-(methylsulfonyl)spiro[...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human microsomal epoxide hydrolase				Bioorg Med Chem Lett 19: 3398-404 (2009) Article DOI: 10.1016/j.bmcl.2009.05.036 BindingDB Entry DOI: 10.7270/Q20C4VP7
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50268440 (2-(2,4-dichlorophenyl)-1-(6-(methylsulfonyl)spiro[...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 19: 3398-404 (2009) Article DOI: 10.1016/j.bmcl.2009.05.036 BindingDB Entry DOI: 10.7270/Q20C4VP7
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Epoxide hydrolase 2 (Rattus norvegicus)	BDBM50268440 (2-(2,4-dichlorophenyl)-1-(6-(methylsulfonyl)spiro[...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of rat soluble epoxide hydrolase				Bioorg Med Chem Lett 19: 3398-404 (2009) Article DOI: 10.1016/j.bmcl.2009.05.036 BindingDB Entry DOI: 10.7270/Q20C4VP7
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50268440 (2-(2,4-dichlorophenyl)-1-(6-(methylsulfonyl)spiro[...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase				Bioorg Med Chem Lett 19: 3398-404 (2009) Article DOI: 10.1016/j.bmcl.2009.05.036 BindingDB Entry DOI: 10.7270/Q20C4VP7
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50268440 (2-(2,4-dichlorophenyl)-1-(6-(methylsulfonyl)spiro[...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 19: 3398-404 (2009) Article DOI: 10.1016/j.bmcl.2009.05.036 BindingDB Entry DOI: 10.7270/Q20C4VP7
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50268440 (2-(2,4-dichlorophenyl)-1-(6-(methylsulfonyl)spiro[...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 19: 3398-404 (2009) Article DOI: 10.1016/j.bmcl.2009.05.036 BindingDB Entry DOI: 10.7270/Q20C4VP7
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair