Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50047014   

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 (Rattus norvegicus (Rat))	BDBM109106 (US8609852, 13) Show SMILES Cc1nc(cs1)C#Cc1cnc(nc1)-c1ccccc1C Show InChI InChI=1S/C17H13N3S/c1-12-5-3-4-6-16(12)17-18-9-14(10-19-17)7-8-15-11-21-13(2)20-15/h3-6,9-11H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [3H]methoxymethyl-3-[(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine from mGlu5R in rat brain membranes				Bioorg Med Chem Lett 26: 484-94 (2016) Article DOI: 10.1016/j.bmcl.2015.11.087 BindingDB Entry DOI: 10.7270/Q21C1ZQ3
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM109136 (US8609852, 43) Show SMILES Cc1nc(cs1)C#Cc1cncc(c1)-c1cccc(Cl)c1 Show InChI InChI=1S/C17H11ClN2S/c1-12-20-17(11-21-12)6-5-13-7-15(10-19-9-13)14-3-2-4-16(18)8-14/h2-4,7-11H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [3H]methoxymethyl-3-[(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine from mGlu5R in rat brain membranes				Bioorg Med Chem Lett 26: 484-94 (2016) Article DOI: 10.1016/j.bmcl.2015.11.087 BindingDB Entry DOI: 10.7270/Q21C1ZQ3
					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	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [3H]-M-MPEP from mGluR5 StaR domain (569 to 836 residues) (unknown origin) expressed in HEK293 cell membranes				Bioorg Med Chem Lett 26: 484-94 (2016) Article DOI: 10.1016/j.bmcl.2015.11.087 BindingDB Entry DOI: 10.7270/Q21C1ZQ3
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50443085 (AFQ056 | Mavoglurant) Show SMILES COC(=O)N1CC[C@@H]2[C@H]1CCC[C@@]2(O)C#Cc1cccc(C)c1 |r| Show InChI InChI=1S/C19H23NO3/c1-14-5-3-6-15(13-14)8-11-19(22)10-4-7-17-16(19)9-12-20(17)18(21)23-2/h3,5-6,13,16-17,22H,4,7,9-10,12H2,1-2H3/t16-,17-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [3H]-M-MPEP from mGluR5 StaR domain (569 to 836 residues) (unknown origin) expressed in HEK293 cell membranes				Bioorg Med Chem Lett 26: 484-94 (2016) Article DOI: 10.1016/j.bmcl.2015.11.087 BindingDB Entry DOI: 10.7270/Q21C1ZQ3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50143540 (CHEMBL3759750) Show SMILES Cc1cccc(n1)C(=O)NC12CC3CC(C1)CC(C3)(C2)NC(=O)c1cccc(C)n1 |TLB:15:10:13.14.16:18,20:17:13:11.15.10,THB:15:14:18:11.10.19,19:10:13:16.17.18,19:17:13:11.15.10,9:10:13:16.17.18,9:10:13.14.16:18| Show InChI InChI=1S/C24H28N4O2/c1-15-5-3-7-19(25-15)21(29)27-23-10-17-9-18(11-23)13-24(12-17,14-23)28-22(30)20-8-4-6-16(2)26-20/h3-8,17-18H,9-14H2,1-2H3,(H,27,29)(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [3H]methoxy-PEPgamma from mGluR5 in rat cerebral cortex membranes after 60 mins by scintillation counting analysis				Bioorg Med Chem Lett 26: 484-94 (2016) Article DOI: 10.1016/j.bmcl.2015.11.087 BindingDB Entry DOI: 10.7270/Q21C1ZQ3
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50154977 (2-{2-[3-fluoro-5-(pyridin-3-yloxy)phenyl]-2H-tetra...) Show SMILES Fc1cc(Oc2cccnc2)cc(c1)-n1nnc(n1)-c1ccccn1 Show InChI InChI=1S/C17H11FN6O/c18-12-8-13(10-15(9-12)25-14-4-3-6-19-11-14)24-22-17(21-23-24)16-5-1-2-7-20-16/h1-11H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5R in rat cortical membranes by liquid scintillation spectrometric analysis				Bioorg Med Chem Lett 26: 484-94 (2016) Article DOI: 10.1016/j.bmcl.2015.11.087 BindingDB Entry DOI: 10.7270/Q21C1ZQ3
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5R in rat cortical membranes by liquid scintillation spectrometric analysis				Bioorg Med Chem Lett 26: 484-94 (2016) Article DOI: 10.1016/j.bmcl.2015.11.087 BindingDB Entry DOI: 10.7270/Q21C1ZQ3
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50143544 (CHEMBL3759766) Show SMILES Fc1ccc-2c(SCc3c(nnn-23)C(=O)Nc2ccnc(Cl)c2)c1Cl Show InChI InChI=1S/C15H8Cl2FN5OS/c16-11-5-7(3-4-19-11)20-15(24)13-10-6-25-14-9(23(10)22-21-13)2-1-8(18)12(14)17/h1-5H,6H2,(H,19,20,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Antagonist activity at human mGluR5 expressed in CHO cells assessed as inhibition of glutamate-induced effect by aequorin bioluminescence assay				Bioorg Med Chem Lett 26: 484-94 (2016) Article DOI: 10.1016/j.bmcl.2015.11.087 BindingDB Entry DOI: 10.7270/Q21C1ZQ3
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50143541 (CHEMBL3759977) Show SMILES C[C@@H](Oc1nnc(-c2cn[nH]c(=O)c2)n1C)c1nnn(n1)-c1cccc(C)c1 |r| Show InChI InChI=1S/C17H17N9O2/c1-10-5-4-6-13(7-10)26-23-15(20-24-26)11(2)28-17-22-21-16(25(17)3)12-8-14(27)19-18-9-12/h4-9,11H,1-3H3,(H,19,27)/t11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Antagonist activity at human mGluR5d by fluo-3-based FLIPR assay				Bioorg Med Chem Lett 26: 484-94 (2016) Article DOI: 10.1016/j.bmcl.2015.11.087 BindingDB Entry DOI: 10.7270/Q21C1ZQ3
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50143542 (CHEMBL3758851) Show SMILES C[C@H]1N(CCc2sccc12)C(=O)c1cc2ncc(Br)cn2n1 |r| Show InChI InChI=1S/C15H13BrN4OS/c1-9-11-3-5-22-13(11)2-4-19(9)15(21)12-6-14-17-7-10(16)8-20(14)18-12/h3,5-9H,2,4H2,1H3/t9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [3H]-MPEP (2-methyl-6-(phenylethynyl)pyridine) from mGlu5R in Sprague-Dawley rat cortical membranes after 60 mins by scintillation co...				Bioorg Med Chem Lett 26: 484-94 (2016) Article DOI: 10.1016/j.bmcl.2015.11.087 BindingDB Entry DOI: 10.7270/Q21C1ZQ3
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50143539 (CHEMBL3758266) Show SMILES [H][C@@]12CC[C@@H](N1CCN(C2)c1nccnc1C#N)c1nnn(n1)-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C19H18ClN9/c20-13-2-1-3-14(10-13)29-25-18(24-26-29)17-5-4-15-12-27(8-9-28(15)17)19-16(11-21)22-6-7-23-19/h1-3,6-7,10,15,17H,4-5,8-9,12H2/t15-,17+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Antagonist activity at mGluR5 (unknown origin)				Bioorg Med Chem Lett 26: 484-94 (2016) Article DOI: 10.1016/j.bmcl.2015.11.087 BindingDB Entry DOI: 10.7270/Q21C1ZQ3
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50143538 (CHEMBL3759888) Show SMILES [H][C@@]12CCC[C@H](C#Cc3cccc(c3)C#N)N1CCN(C2)c1ncccc1C#N |r| Show InChI InChI=1S/C23H21N5/c24-15-19-5-1-4-18(14-19)9-10-21-7-2-8-22-17-27(12-13-28(21)22)23-20(16-25)6-3-11-26-23/h1,3-6,11,14,21-22H,2,7-8,12-13,17H2/t21-,22+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Antagonist activity at human mGluR5d by fluo-3-based FLIPR assay				Bioorg Med Chem Lett 26: 484-94 (2016) Article DOI: 10.1016/j.bmcl.2015.11.087 BindingDB Entry DOI: 10.7270/Q21C1ZQ3
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50143543 (CHEMBL3759200) Show SMILES Fc1ccc(cc1)-c1nc(Nc2nc3ccccc3o2)ncc1C#N Show InChI InChI=1S/C18H10FN5O/c19-13-7-5-11(6-8-13)16-12(9-20)10-21-17(23-16)24-18-22-14-3-1-2-4-15(14)25-18/h1-8,10H,(H,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced calcium mobilization by Fluo-4 dye-based fluo...				Bioorg Med Chem Lett 26: 484-94 (2016) Article DOI: 10.1016/j.bmcl.2015.11.087 BindingDB Entry DOI: 10.7270/Q21C1ZQ3
					More data for this Ligand-Target Pair