BDBM50139451 CHEMBL3765747

SMILES: Cc1ccc(cc1C)S(=O)(=O)c1cnc2ccccc2c1N1CCOCC1

InChI Key: InChIKey=HDVXJJUOYDLALI-UHFFFAOYSA-N

Data: 6 KI

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 6 hits for monomerid = 50139451   

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 (Homo sapiens (Human))	BDBM50139451 (CHEMBL3765747) Show SMILES Cc1ccc(cc1C)S(=O)(=O)c1cnc2ccccc2c1N1CCOCC1 Show InChI InChI=1S/C21H22N2O3S/c1-15-7-8-17(13-16(15)2)27(24,25)20-14-22-19-6-4-3-5-18(19)21(20)23-9-11-26-12-10-23/h3-8,13-14H,9-12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	52	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 recombinant human mGluR5a expressed in A18 cells 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 5 (Homo sapiens (Human))	BDBM50139451 (CHEMBL3765747) Show SMILES Cc1ccc(cc1C)S(=O)(=O)c1cnc2ccccc2c1N1CCOCC1 Show InChI InChI=1S/C21H22N2O3S/c1-15-7-8-17(13-16(15)2)27(24,25)20-14-22-19-6-4-3-5-18(19)21(20)23-9-11-26-12-10-23/h3-8,13-14H,9-12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	52	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 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
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50139451 (CHEMBL3765747) Show SMILES Cc1ccc(cc1C)S(=O)(=O)c1cnc2ccccc2c1N1CCOCC1 Show InChI InChI=1S/C21H22N2O3S/c1-15-7-8-17(13-16(15)2)27(24,25)20-14-22-19-6-4-3-5-18(19)21(20)23-9-11-26-12-10-23/h3-8,13-14H,9-12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	52	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 recombinant human mGluR5a expressed in human A18 cell membrane homogenate measured after 60 mins				Eur J Med Chem 133: 240-254 (2017) Article DOI: 10.1016/j.ejmech.2017.03.071 BindingDB Entry DOI: 10.7270/Q2DB84CD
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50139451 (CHEMBL3765747) Show SMILES Cc1ccc(cc1C)S(=O)(=O)c1cnc2ccccc2c1N1CCOCC1 Show InChI InChI=1S/C21H22N2O3S/c1-15-7-8-17(13-16(15)2)27(24,25)20-14-22-19-6-4-3-5-18(19)21(20)23-9-11-26-12-10-23/h3-8,13-14H,9-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	68	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 rat cerebrocortical membranes measured after 60 mins				Eur J Med Chem 133: 240-254 (2017) Article DOI: 10.1016/j.ejmech.2017.03.071 BindingDB Entry DOI: 10.7270/Q2DB84CD
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50139451 (CHEMBL3765747) Show SMILES Cc1ccc(cc1C)S(=O)(=O)c1cnc2ccccc2c1N1CCOCC1 Show InChI InChI=1S/C21H22N2O3S/c1-15-7-8-17(13-16(15)2)27(24,25)20-14-22-19-6-4-3-5-18(19)21(20)23-9-11-26-12-10-23/h3-8,13-14H,9-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	68	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))	BDBM50139451 (CHEMBL3765747) Show SMILES Cc1ccc(cc1C)S(=O)(=O)c1cnc2ccccc2c1N1CCOCC1 Show InChI InChI=1S/C21H22N2O3S/c1-15-7-8-17(13-16(15)2)27(24,25)20-14-22-19-6-4-3-5-18(19)21(20)23-9-11-26-12-10-23/h3-8,13-14H,9-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	68	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