BindingDB PrimarySearch

BDBM50265098 4-(4-(2-(cyclopropylmethoxy)-5-(methylsulfonyl)benzoyl)piperazin-1-yl)-3-fluorobenzonitrile::CHEMBL497999

SMILES: CS(=O)(=O)c1ccc(OCC2CC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N

InChI Key: InChIKey=IOSCQMWDOQVSFE-UHFFFAOYSA-N

Data: 7 IC50 3 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50265098
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
Glycine transporter 1 (Homo sapiens (Human))	BDBM50265098 (4-(4-(2-(cyclopropylmethoxy)-5-(methylsulfonyl)ben...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter				Bioorg Med Chem Lett 18: 5134-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.086 BindingDB Entry DOI: 10.7270/Q28915PM
F. Hoffmann-La Roche Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
Glycine transporter 2 (Homo sapiens (Human))	BDBM50265098 (4-(4-(2-(cyclopropylmethoxy)-5-(methylsulfonyl)ben...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting				J Med Chem 53: 4603-14 (2010) Article DOI: 10.1021/jm100210p BindingDB Entry DOI: 10.7270/Q28916TT
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50265098 (4-(4-(2-(cyclopropylmethoxy)-5-(methylsulfonyl)ben...) 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 Similars	Article PubMed	n/a	n/a	>2.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 18: 5134-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.086 BindingDB Entry DOI: 10.7270/Q28915PM
F. Hoffmann-La Roche Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50265098 (4-(4-(2-(cyclopropylmethoxy)-5-(methylsulfonyl)ben...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 18: 5134-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.086 BindingDB Entry DOI: 10.7270/Q28915PM
F. Hoffmann-La Roche Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50265098 (4-(4-(2-(cyclopropylmethoxy)-5-(methylsulfonyl)ben...) 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 Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells by patch clamp assay				J Med Chem 53: 4603-14 (2010) Article DOI: 10.1021/jm100210p BindingDB Entry DOI: 10.7270/Q28916TT
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50265098 (4-(4-(2-(cyclopropylmethoxy)-5-(methylsulfonyl)ben...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2C19				Bioorg Med Chem Lett 18: 5134-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.086 BindingDB Entry DOI: 10.7270/Q28915PM
F. Hoffmann-La Roche Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50265098 (4-(4-(2-(cyclopropylmethoxy)-5-(methylsulfonyl)ben...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of CYP1A2				Bioorg Med Chem Lett 18: 5134-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.086 BindingDB Entry DOI: 10.7270/Q28915PM
F. Hoffmann-La Roche Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50265098 (4-(4-(2-(cyclopropylmethoxy)-5-(methylsulfonyl)ben...) 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 Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human ERG potassium channel by patch-clamp assay				Bioorg Med Chem Lett 18: 5134-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.086 BindingDB Entry DOI: 10.7270/Q28915PM
F. Hoffmann-La Roche Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
Glycine transporter 1 (Homo sapiens (Human))	BDBM50265098 (4-(4-(2-(cyclopropylmethoxy)-5-(methylsulfonyl)ben...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting				J Med Chem 53: 4603-14 (2010) Article DOI: 10.1021/jm100210p BindingDB Entry DOI: 10.7270/Q28916TT
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50265098 (4-(4-(2-(cyclopropylmethoxy)-5-(methylsulfonyl)ben...) 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 Similars	Article PubMed	n/a	n/a	>2.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 18: 5134-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.086 BindingDB Entry DOI: 10.7270/Q28915PM
F. Hoffmann-La Roche Ltd Curated by ChEMBL					More data for this Ligand-Target Pair