null

SMILES: CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccccc1Cl

InChI Key: InChIKey=UUYQFOSWDVZCAB-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 44464   

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
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM44464 (2-(2-chloro-N-mesyl-anilino)-N-(3-chlorophenyl)ace...) Show SMILES CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccccc1Cl Show InChI InChI=1S/C15H14Cl2N2O3S/c1-23(21,22)19(14-8-3-2-7-13(14)17)10-15(20)18-12-6-4-5-11(16)9-12/h2-9H,10H2,1H3,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]-methoxyPEPy from rat mGlu5 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem Lett 22: 7388-92 (2012) Article DOI: 10.1016/j.bmcl.2012.10.068 BindingDB Entry DOI: 10.7270/Q2H996BR
					More data for this Ligand-Target Pair
Ephrin type-A receptor 4 (Mus musculus)	BDBM44464 (2-(2-chloro-N-mesyl-anilino)-N-(3-chlorophenyl)ace...) Show SMILES CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccccc1Cl Show InChI InChI=1S/C15H14Cl2N2O3S/c1-23(21,22)19(14-8-3-2-7-13(14)17)10-15(20)18-12-6-4-5-11(16)9-12/h2-9H,10H2,1H3,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2JD4V5T
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM44464 (2-(2-chloro-N-mesyl-anilino)-N-(3-chlorophenyl)ace...) Show SMILES CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccccc1Cl Show InChI InChI=1S/C15H14Cl2N2O3S/c1-23(21,22)19(14-8-3-2-7-13(14)17)10-15(20)18-12-6-4-5-11(16)9-12/h2-9H,10H2,1H3,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	77.6	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Ago-positive allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells by fluorescence-based calcium flux assay				Bioorg Med Chem Lett 22: 7388-92 (2012) Article DOI: 10.1016/j.bmcl.2012.10.068 BindingDB Entry DOI: 10.7270/Q2H996BR
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM44464 (2-(2-chloro-N-mesyl-anilino)-N-(3-chlorophenyl)ace...) Show SMILES CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccccc1Cl Show InChI InChI=1S/C15H14Cl2N2O3S/c1-23(21,22)19(14-8-3-2-7-13(14)17)10-15(20)18-12-6-4-5-11(16)9-12/h2-9H,10H2,1H3,(H,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	776	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulation of human mGlu5 receptor expressed in HEK293 cells by fluorescence-based calcium flux assay				Bioorg Med Chem Lett 22: 7388-92 (2012) Article DOI: 10.1016/j.bmcl.2012.10.068 BindingDB Entry DOI: 10.7270/Q2H996BR
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM44464 (2-(2-chloro-N-mesyl-anilino)-N-(3-chlorophenyl)ace...) Show SMILES CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccccc1Cl Show InChI InChI=1S/C15H14Cl2N2O3S/c1-23(21,22)19(14-8-3-2-7-13(14)17)10-15(20)18-12-6-4-5-11(16)9-12/h2-9H,10H2,1H3,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	80	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Ago-positive allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells by fluorescence-based calcium flux assay				Bioorg Med Chem Lett 22: 7388-92 (2012) Article DOI: 10.1016/j.bmcl.2012.10.068 BindingDB Entry DOI: 10.7270/Q2H996BR
					More data for this Ligand-Target Pair
Ephrin type-A receptor 4 (Mus musculus)	BDBM44464 (2-(2-chloro-N-mesyl-anilino)-N-(3-chlorophenyl)ace...) Show SMILES CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccccc1Cl Show InChI InChI=1S/C15H14Cl2N2O3S/c1-23(21,22)19(14-8-3-2-7-13(14)17)10-15(20)18-12-6-4-5-11(16)9-12/h2-9H,10H2,1H3,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2P55KW4
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM44464 (2-(2-chloro-N-mesyl-anilino)-N-(3-chlorophenyl)ace...) Show SMILES CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccccc1Cl Show InChI InChI=1S/C15H14Cl2N2O3S/c1-23(21,22)19(14-8-3-2-7-13(14)17)10-15(20)18-12-6-4-5-11(16)9-12/h2-9H,10H2,1H3,(H,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	780	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulation of human mGlu5 receptor expressed in HEK293 cells by fluorescence-based calcium flux assay				Bioorg Med Chem Lett 22: 7388-92 (2012) Article DOI: 10.1016/j.bmcl.2012.10.068 BindingDB Entry DOI: 10.7270/Q2H996BR
					More data for this Ligand-Target Pair