BDBM50139453 CHEMBL3763653

SMILES: Fc1ccc(cc1F)S(=O)(=O)c1cnc2c(F)cccc2c1-c1ccc(Cl)cc1

InChI Key: InChIKey=HIFUQJQLKLBORK-UHFFFAOYSA-N

Data: 2 KI  1 IC50

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 3 hits for monomerid = 50139453   

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 (Rattus norvegicus (Rat))	BDBM50139453 (CHEMBL3763653) Show SMILES Fc1ccc(cc1F)S(=O)(=O)c1cnc2c(F)cccc2c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H11ClF3NO2S/c22-13-6-4-12(5-7-13)20-15-2-1-3-17(24)21(15)26-11-19(20)29(27,28)14-8-9-16(23)18(25)10-14/h1-11H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Plc Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from rat mGlu5 receptor expressed in rat cerebrocortical membrane measured after 1 hr				Bioorg Med Chem Lett 26: 1249-52 (2016) BindingDB Entry DOI: 10.7270/Q2930W1N
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50139453 (CHEMBL3763653) Show SMILES Fc1ccc(cc1F)S(=O)(=O)c1cnc2c(F)cccc2c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H11ClF3NO2S/c22-13-6-4-12(5-7-13)20-15-2-1-3-17(24)21(15)26-11-19(20)29(27,28)14-8-9-16(23)18(25)10-14/h1-11H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Plc Curated by ChEMBL					Assay Description Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat cerebrocortical membranes after 60 mins				J Med Chem 60: 2470-2484 (2017) Article DOI: 10.1021/acs.jmedchem.6b01858 BindingDB Entry DOI: 10.7270/Q2RV0R05
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50139453 (CHEMBL3763653) Show SMILES Fc1ccc(cc1F)S(=O)(=O)c1cnc2c(F)cccc2c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H11ClF3NO2S/c22-13-6-4-12(5-7-13)20-15-2-1-3-17(24)21(15)26-11-19(20)29(27,28)14-8-9-16(23)18(25)10-14/h1-11H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Plc Curated by ChEMBL					Assay Description Displacement of [3H]M-MPEP from recombinant human mGluR5a expressed in human A18 cell membrane homogenate after 60 mins				J Med Chem 60: 2470-2484 (2017) Article DOI: 10.1021/acs.jmedchem.6b01858 BindingDB Entry DOI: 10.7270/Q2RV0R05
					More data for this Ligand-Target Pair