Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for entry = 50035348   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50366854 (CHEMBL1169452) Show SMILES COc1cncc(c1)C#Cc1ccccn1 Show InChI InChI=1S/C13H10N2O/c1-16-13-8-11(9-14-10-13)5-6-12-4-2-3-7-15-12/h2-4,7-10H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	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 In vitro functional potency using an automated assay employing LtK-cells stably expressing human recombinant mGlu5 receptor by measuring changes in c...				Bioorg Med Chem Lett 13: 351-4 (2003) BindingDB Entry DOI: 10.7270/Q2H995RQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50084137 (2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...) Show SMILES Cc1cccc(n1)C#Cc1ccccc1 Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro functional potency using an automated assay employing LtK-cells stably expressing human recombinant mGlu5 receptor by measuring changes in c...				Bioorg Med Chem Lett 13: 351-4 (2003) BindingDB Entry DOI: 10.7270/Q2H995RQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50123009 (3-Methyl-5-(2-methyl-thiazol-4-ylethynyl)-pyridine...) Show SMILES Cc1nc(cs1)C#Cc1cncc(C)c1 Show InChI InChI=1S/C12H10N2S/c1-9-5-11(7-13-6-9)3-4-12-8-15-10(2)14-12/h5-8H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro functional potency using an automated assay employing LtK-cells stably expressing human recombinant mGlu5 receptor by measuring changes in c...				Bioorg Med Chem Lett 13: 351-4 (2003) BindingDB Entry DOI: 10.7270/Q2H995RQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50122758 (2-methyl-4-(pyridin-3-ylethynyl)thiazole | 3-(2-(2...) Show SMILES Cc1nc(cs1)C#Cc1cccnc1 Show InChI InChI=1S/C11H8N2S/c1-9-13-11(8-14-9)5-4-10-3-2-6-12-7-10/h2-3,6-8H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro functional potency using an automated assay employing LtK-cells stably expressing human recombinant mGlu5 receptor by measuring changes in c...				Bioorg Med Chem Lett 13: 351-4 (2003) BindingDB Entry DOI: 10.7270/Q2H995RQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50366853 (CHEMBL1169453) Show SMILES COCc1cncc(c1)C#Cc1csc(C)n1 Show InChI InChI=1S/C13H12N2OS/c1-10-15-13(9-17-10)4-3-11-5-12(8-16-2)7-14-6-11/h5-7,9H,8H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro functional potency using an automated assay employing LtK-cells stably expressing human recombinant mGlu5 receptor by measuring changes in c...				Bioorg Med Chem Lett 13: 351-4 (2003) BindingDB Entry DOI: 10.7270/Q2H995RQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50404013 (CHEMBL2112677) Show SMILES COCc1cccc(c1)C#Cc1cccc(C)n1 Show InChI InChI=1S/C16H15NO/c1-13-5-3-8-16(17-13)10-9-14-6-4-7-15(11-14)12-18-2/h3-8,11H,12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro functional potency using an automated assay employing LtK-cells stably expressing human recombinant mGlu5 receptor by measuring changes in c...				Bioorg Med Chem Lett 13: 351-4 (2003) BindingDB Entry DOI: 10.7270/Q2H995RQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50084137 (2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...) Show SMILES Cc1cccc(n1)C#Cc1ccccc1 Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human mGlu5 receptors expressed in LtK-cells				Bioorg Med Chem Lett 13: 351-4 (2003) BindingDB Entry DOI: 10.7270/Q2H995RQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50366854 (CHEMBL1169452) Show SMILES COc1cncc(c1)C#Cc1ccccn1 Show InChI InChI=1S/C13H10N2O/c1-16-13-8-11(9-14-10-13)5-6-12-4-2-3-7-15-12/h2-4,7-10H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards mGlu5 receptors in rat brain membranes was evaluated				Bioorg Med Chem Lett 13: 351-4 (2003) BindingDB Entry DOI: 10.7270/Q2H995RQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50123008 (3-Methoxymethyl-5-pyridin-2-ylethynyl-pyridine | C...) Show SMILES COCc1cncc(c1)C#Cc1ccccn1 Show InChI InChI=1S/C14H12N2O/c1-17-11-13-8-12(9-15-10-13)5-6-14-4-2-3-7-16-14/h2-4,7-10H,11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro functional potency using an automated assay employing LtK-cells stably expressing human recombinant mGlu5 receptor by measuring changes in c...				Bioorg Med Chem Lett 13: 351-4 (2003) BindingDB Entry DOI: 10.7270/Q2H995RQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50084137 (2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...) Show SMILES Cc1cccc(n1)C#Cc1ccccc1 Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards mGlu5 receptors in rat brain membranes was evaluated				Bioorg Med Chem Lett 13: 351-4 (2003) BindingDB Entry DOI: 10.7270/Q2H995RQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50366853 (CHEMBL1169453) Show SMILES COCc1cncc(c1)C#Cc1csc(C)n1 Show InChI InChI=1S/C13H12N2OS/c1-10-15-13(9-17-10)4-3-11-5-12(8-16-2)7-14-6-11/h5-7,9H,8H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human mGlu5 receptors expressed in LtK-cells				Bioorg Med Chem Lett 13: 351-4 (2003) BindingDB Entry DOI: 10.7270/Q2H995RQ
					More data for this Ligand-Target Pair