Compile Data Set for Download or QSAR

Found 2405 hits of ic50 for UniProtKB: P41594   

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))	BDBM141505 (US8921370, 126 | US9656975, 126) Show SMILES Cc1cccc(n1)C(=O)N[C@@]12CC[C@@](C1)(CCC2)NC(=O)c1ccccn1 |r| Show InChI InChI=1S/C21H24N4O2/c1-15-6-4-8-17(23-15)19(27)25-21-10-5-9-20(14-21,11-12-21)24-18(26)16-7-2-3-13-22-16/h2-4,6-8,13H,5,9-12,14H2,1H3,(H,24,26)(H,25,27)/t20-,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.320	n/a	n/a	n/a	n/a	7.4	37
H. Lundbeck A/S US Patent					Assay Description The cDNA for rat metabotropic glutamate receptor 5 (rmGluR5) and the cDNA for human metabotropic glutamate receptor 5 (rmGluR5) were generous gifts f...				US Patent US8921370 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S3C
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50411838 (CHEMBL271276) Show SMILES Cc1cccc(c1)C#Cc1nc(C)cn2cccc12 Show InChI InChI=1S/C17H14N2/c1-13-5-3-6-15(11-13)8-9-16-17-7-4-10-19(17)12-14(2)18-16/h3-7,10-12H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.398	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human mGluR5 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR				Bioorg Med Chem Lett 18: 1804-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.024 BindingDB Entry DOI: 10.7270/Q27945W4
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50411769 (CHEMBL403390) Show SMILES Cc1cn2cc(cc2c(n1)C#Cc1ccsc1)C#N Show InChI InChI=1S/C15H9N3S/c1-11-8-18-9-13(7-16)6-15(18)14(17-11)3-2-12-4-5-19-10-12/h4-6,8-10H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.398	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human mGluR5 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR				Bioorg Med Chem Lett 18: 1804-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.024 BindingDB Entry DOI: 10.7270/Q27945W4
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50113479 (CHEMBL3603926 | US10246432, Example 22 | US1058411...) Show SMILES Fc1ccc(nc1)-c1cc(ncn1)-c1cc(cc(Cl)c1F)C#N Show InChI InChI=1S/C16H7ClF2N4/c17-12-4-9(6-20)3-11(16(12)19)14-5-15(23-8-22-14)13-2-1-10(18)7-21-13/h1-5,7-8H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.398	n/a	n/a	n/a	n/a	n/a	n/a
Heptares Therapeutics Ltd. Curated by ChEMBL					Assay Description Negative allosteric modulation at human mGlu5 receptor expressed in HEK293 cells assessed as inhibition of L-quisqualic acid-induced inositol phospha...				J Med Chem 58: 6653-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00892 BindingDB Entry DOI: 10.7270/Q2H70HMZ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50105833 (CHEMBL3597593) Show SMILES [#8-]-[#7+](=O)-c1cccnc1-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1ccccn1 Show InChI InChI=1S/C18H16N4O2/c23-22(24)17-8-4-12-20-18(17)21-13-9-15(10-14-21)5-3-7-16-6-1-2-11-19-16/h1-2,4-6,8,11-12H,9-10,13-14H2	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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Negative allosteric modulatory activity at human cloned mGluR5 receptor expressed in CHO-T-Rex cells assessed as inhibiton of quisqualate-induced cal...				Bioorg Med Chem 23: 3040-58 (2015) Article DOI: 10.1016/j.bmc.2015.05.008 BindingDB Entry DOI: 10.7270/Q2PK0HX0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50149801 (2-Phenyl-5-(2-methylthiazol-4ylethynyl)pyridine | ...) Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccccc1 Show InChI InChI=1S/C17H12N2S/c1-13-19-16(12-20-13)9-7-14-8-10-17(18-11-14)15-5-3-2-4-6-15/h2-6,8,10-12H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro potency against human recombinant mGlu5 receptor was determined by [Ca2+] flux assay using glutamate as agonist				Bioorg Med Chem Lett 14: 3993-6 (2004) Article DOI: 10.1016/j.bmcl.2004.05.037 BindingDB Entry DOI: 10.7270/Q2T43SKQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50113476 (CHEMBL3603923 | US10246432, Example 17 | US1058411...) Show SMILES Fc1ccc(nc1)-c1cc(ncn1)-c1cc(Cl)cc(c1)C#N Show InChI InChI=1S/C16H8ClFN4/c17-12-4-10(7-19)3-11(5-12)15-6-16(22-9-21-15)14-2-1-13(18)8-20-14/h1-6,8-9H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.501	n/a	n/a	n/a	n/a	n/a	n/a
Cresset Curated by ChEMBL					Assay Description Inhibition of mGLU5 (unknown origin)				J Med Chem 62: 3036-3050 (2019) Article DOI: 10.1021/acs.jmedchem.8b01925 BindingDB Entry DOI: 10.7270/Q29Z9851
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50113476 (CHEMBL3603923 | US10246432, Example 17 | US1058411...) Show SMILES Fc1ccc(nc1)-c1cc(ncn1)-c1cc(Cl)cc(c1)C#N Show InChI InChI=1S/C16H8ClFN4/c17-12-4-10(7-19)3-11(5-12)15-6-16(22-9-21-15)14-2-1-13(18)8-20-14/h1-6,8-9H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a	n/a
Heptares Therapeutics Ltd. Curated by ChEMBL					Assay Description Negative allosteric modulation at human mGlu5 receptor expressed in HEK293 cells assessed as inhibition of L-quisqualic acid-induced inositol phospha...				J Med Chem 58: 6653-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00892 BindingDB Entry DOI: 10.7270/Q2H70HMZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50113477 (CHEMBL3603924 | US10246432, Example 3 | US10584111...) Show SMILES Clc1cc(cc(c1)-c1cc(ncn1)-c1ccc(cn1)C#N)C#N Show InChI InChI=1S/C17H8ClN5/c18-14-4-12(8-20)3-13(5-14)16-6-17(23-10-22-16)15-2-1-11(7-19)9-21-15/h1-6,9-10H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a	n/a
Heptares Therapeutics Ltd. Curated by ChEMBL					Assay Description Negative allosteric modulation at human mGlu5 receptor expressed in HEK293 cells assessed as inhibition of L-quisqualic acid-induced inositol phospha...				J Med Chem 58: 6653-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00892 BindingDB Entry DOI: 10.7270/Q2H70HMZ
					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))	BDBM50411851 (CHEMBL257880) Show SMILES Cc1cn2cc(cc2c(n1)C#Cc1cccc(F)c1)C#N Show InChI InChI=1S/C17H10FN3/c1-12-10-21-11-14(9-19)8-17(21)16(20-12)6-5-13-3-2-4-15(18)7-13/h2-4,7-8,10-11H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.794	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human mGluR5 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR				Bioorg Med Chem Lett 18: 1804-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.024 BindingDB Entry DOI: 10.7270/Q27945W4
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50105834 (CHEMBL3597594) Show SMILES [#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ncccc1-[#7+](-[#8-])=O Show InChI InChI=1S/C19H18N4O2/c1-15-5-2-7-17(21-15)8-3-6-16-10-13-22(14-11-16)19-18(23(24)25)9-4-12-20-19/h2,4-7,9,12H,10-11,13-14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Negative allosteric modulatory activity at human cloned mGluR5 receptor expressed in CHO-T-Rex cells assessed as inhibiton of quisqualate-induced cal...				Bioorg Med Chem 23: 3040-58 (2015) Article DOI: 10.1016/j.bmc.2015.05.008 BindingDB Entry DOI: 10.7270/Q2PK0HX0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50105834 (CHEMBL3597594) Show SMILES [#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ncccc1-[#7+](-[#8-])=O Show InChI InChI=1S/C19H18N4O2/c1-15-5-2-7-17(21-15)8-3-6-16-10-13-22(14-11-16)19-18(23(24)25)9-4-12-20-19/h2,4-7,9,12H,10-11,13-14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Recordati S.p.A. Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGlu5 receptor expressed in CHO-TREx cell membranes assessed as reduction in quisqualate-induced Ca2+ mobiliz...				J Med Chem 62: 1246-1273 (2019) Article DOI: 10.1021/acs.jmedchem.8b01226 BindingDB Entry DOI: 10.7270/Q24171JF
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50105834 (CHEMBL3597594) Show SMILES [#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ncccc1-[#7+](-[#8-])=O Show InChI InChI=1S/C19H18N4O2/c1-15-5-2-7-17(21-15)8-3-6-16-10-13-22(14-11-16)19-18(23(24)25)9-4-12-20-19/h2,4-7,9,12H,10-11,13-14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Recordati S.p.A. Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGlu5 receptor expressed in CHO-TREx cell membranes assessed as reduction in quisqualate-induced Ca2+ mobiliz...				J Med Chem 62: 1246-1273 (2019) Article DOI: 10.1021/acs.jmedchem.8b01226 BindingDB Entry DOI: 10.7270/Q24171JF
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50105831 (CHEMBL3597584) Show SMILES [O-][N+](=O)c1cccnc1N1CCN(CC1)C(=O)C#Cc1ccccc1 Show InChI InChI=1S/C18H16N4O3/c23-17(9-8-15-5-2-1-3-6-15)20-11-13-21(14-12-20)18-16(22(24)25)7-4-10-19-18/h1-7,10H,11-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Negative allosteric modulatory activity at human cloned mGluR5 receptor expressed in CHO-T-Rex cells assessed as inhibiton of quisqualate-induced cal...				Bioorg Med Chem 23: 3040-58 (2015) Article DOI: 10.1016/j.bmc.2015.05.008 BindingDB Entry DOI: 10.7270/Q2PK0HX0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50172123 (3-Chloro-5-(3-pyridin-2-ylethynyl-cyclohex-2-enylo...) Show SMILES Clc1cncc(OC2CCCC(=C2)C#Cc2ccccn2)c1 |c:11| Show InChI InChI=1S/C18H15ClN2O/c19-15-11-18(13-20-12-15)22-17-6-3-4-14(10-17)7-8-16-5-1-2-9-21-16/h1-2,5,9-13,17H,3-4,6H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Ca+2 flux mediated by human mGlu5 receptor expressed in Ltk cells using fura-2 dye				Bioorg Med Chem Lett 15: 4589-93 (2005) Article DOI: 10.1016/j.bmcl.2005.06.099 BindingDB Entry DOI: 10.7270/Q2DB81C5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50181745 (3-[(2-methyl-4-thiazolyl)ethynyl]benzonitrile | CH...) Show SMILES Cc1nc(cs1)C#Cc1cccc(c1)C#N Show InChI InChI=1S/C13H8N2S/c1-10-15-13(9-16-10)6-5-11-3-2-4-12(7-11)8-14/h2-4,7,9H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.940	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a				J Med Chem 49: 1080-100 (2006) Article DOI: 10.1021/jm050570f BindingDB Entry DOI: 10.7270/Q27S7NC5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM136108 (US8853203, 123b | US9650377, Example 123b) Show SMILES O=C1CN=C(C=C2N1CCc1c(cccc21)C1CC1)n1cnc(c1)-c1ccno1 |c:3,5| Show InChI InChI=1S/C22H19N5O2/c28-22-11-23-21(26-12-18(24-13-26)20-6-8-25-29-20)10-19-17-3-1-2-15(14-4-5-14)16(17)7-9-27(19)22/h1-3,6,8,10,12-14H,4-5,7,9,11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Activity of compounds of the present invention was examined by determination to what extent the glutamate-induced elevation of the intracellular calc...				US Patent US8853203 (2014) BindingDB Entry DOI: 10.7270/Q2MP520T
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM136115 (US8853203, 128 | US9650377, Example 128) Show SMILES OCCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:25,t:9| Show InChI InChI=1S/C21H22N4O2/c26-9-7-15-12-24(13-23-15)20-10-19-18-3-1-2-16(14-4-5-14)17(18)6-8-25(19)21(27)11-22-20/h1-3,10,12-14,26H,4-9,11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...				US Patent US9650377 (2017) BindingDB Entry DOI: 10.7270/Q2G73GT2
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM136048 (US8853203, 92 | US9650377, Example 92) Show SMILES Cc1ncn(n1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CCC1 |c:23,t:7| Show InChI InChI=1S/C20H21N5O/c1-13-22-12-25(23-13)19-10-18-17-7-3-6-15(14-4-2-5-14)16(17)8-9-24(18)20(26)11-21-19/h3,6-7,10,12,14H,2,4-5,8-9,11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...				US Patent US9650377 (2017) BindingDB Entry DOI: 10.7270/Q2G73GT2
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM136048 (US8853203, 92 | US9650377, Example 92) Show SMILES Cc1ncn(n1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CCC1 |c:23,t:7| Show InChI InChI=1S/C20H21N5O/c1-13-22-12-25(23-13)19-10-18-17-7-3-6-15(14-4-2-5-14)16(17)8-9-24(18)20(26)11-21-19/h3,6-7,10,12,14H,2,4-5,8-9,11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Activity of compounds of the present invention was examined by determination to what extent the glutamate-induced elevation of the intracellular calc...				US Patent US8853203 (2014) BindingDB Entry DOI: 10.7270/Q2MP520T
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM136108 (US8853203, 123b | US9650377, Example 123b) Show SMILES O=C1CN=C(C=C2N1CCc1c(cccc21)C1CC1)n1cnc(c1)-c1ccno1 |c:3,5| Show InChI InChI=1S/C22H19N5O2/c28-22-11-23-21(26-12-18(24-13-26)20-6-8-25-29-20)10-19-17-3-1-2-15(14-4-5-14)16(17)7-9-27(19)22/h1-3,6,8,10,12-14H,4-5,7,9,11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...				US Patent US9650377 (2017) BindingDB Entry DOI: 10.7270/Q2G73GT2
					More data for this Ligand-Target Pair
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))	BDBM136115 (US8853203, 128 | US9650377, Example 128) Show SMILES OCCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:25,t:9| Show InChI InChI=1S/C21H22N4O2/c26-9-7-15-12-24(13-23-15)20-10-19-18-3-1-2-16(14-4-5-14)17(18)6-8-25(19)21(27)11-22-20/h1-3,10,12-14,26H,4-9,11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Activity of compounds of the present invention was examined by determination to what extent the glutamate-induced elevation of the intracellular calc...				US Patent US8853203 (2014) BindingDB Entry DOI: 10.7270/Q2MP520T
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50431696 (CHEMBL2349534) Show SMILES Cc1c(nn(C)c1-c1ccc(F)cc1)C(=O)Nc1cccc(C)n1 Show InChI InChI=1S/C18H17FN4O/c1-11-5-4-6-15(20-11)21-18(24)16-12(2)17(23(3)22-16)13-7-9-14(19)10-8-13/h4-10H,1-3H3,(H,20,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
SK Biopharmaceuticals Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 2134-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.116 BindingDB Entry DOI: 10.7270/Q20R9QR5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50312096 (CHEMBL1080481 | N-(3-(3-chlorobenzamido)phenyl)-2-...) Show SMILES COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1 Show InChI InChI=1S/C21H17ClN2O3/c1-27-19-11-3-2-10-18(19)21(26)24-17-9-5-8-16(13-17)23-20(25)14-6-4-7-15(22)12-14/h2-13H,1H3,(H,23,25)(H,24,26)	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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at mGluR5				Bioorg Med Chem Lett 19: 6502-6 (2009) Article DOI: 10.1016/j.bmcl.2009.10.059 BindingDB Entry DOI: 10.7270/Q2JD4WZJ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM196506 (US9212165, 3) Show SMILES Fc1cccc(c1)C#CC12CCC(C1)(CCC2)NC(=O)c1cnccn1 Show InChI InChI=1S/C21H20FN3O/c22-17-4-1-3-16(13-17)5-8-20-6-2-7-21(15-20,10-9-20)25-19(26)18-14-23-11-12-24-18/h1,3-4,11-14H,2,6-7,9-10,15H2,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.4	n/a
H. Lundbeck A/S US Patent					Assay Description The rmGluR5 or hmGluR5 was stably expressed in a HEK 293 cell line and gown in Dulbecco's Modified Eagle Medium (DMEM) (Invitrogen, Carlsbad, Cal...				US Patent US9212165 (2015) BindingDB Entry DOI: 10.7270/Q2Z89B69
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50411829 (CHEMBL404237) Show SMILES Cc1cn2cc(cc2c(n1)C#Cc1ccccc1)C#N Show InChI InChI=1S/C17H11N3/c1-13-11-20-12-15(10-18)9-17(20)16(19-13)8-7-14-5-3-2-4-6-14/h2-6,9,11-12H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human mGluR5 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR				Bioorg Med Chem Lett 18: 1804-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.024 BindingDB Entry DOI: 10.7270/Q27945W4
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50105805 (CHEMBL3597600) Show SMILES [#6]-c1ccc(c(n1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1ccc(cn1)C#N)-[#7+](-[#8-])=O Show InChI InChI=1S/C20H17N5O2/c1-15-5-8-19(25(26)27)20(23-15)24-11-9-16(10-12-24)3-2-4-18-7-6-17(13-21)14-22-18/h3,5-8,14H,9-12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Negative allosteric modulatory activity at human cloned mGluR5 receptor expressed in CHO-T-Rex cells assessed as inhibiton of quisqualate-induced cal...				Bioorg Med Chem 23: 3040-58 (2015) Article DOI: 10.1016/j.bmc.2015.05.008 BindingDB Entry DOI: 10.7270/Q2PK0HX0
					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	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Antagonist activity at human mGluR5 receptor expressed in CHOK1 cells assessed as inhibition of glutamate-mediated internal calcium mobilization				J Med Chem 50: 3388-91 (2007) Article DOI: 10.1021/jm070078r BindingDB Entry DOI: 10.7270/Q2Z89C3C
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50113473 (CHEMBL3603920 | US10246432, Example 1 | US10584111...) Show SMILES Fc1c(Cl)cc(cc1-c1cc(ncn1)-c1ccccn1)C#N Show InChI InChI=1S/C16H8ClFN4/c17-12-6-10(8-19)5-11(16(12)18)14-7-15(22-9-21-14)13-3-1-2-4-20-13/h1-7,9H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Heptares Therapeutics Ltd. Curated by ChEMBL					Assay Description Negative allosteric modulation at human mGlu5 receptor expressed in HEK293 cells assessed as inhibition of L-quisqualic acid-induced inositol phospha...				J Med Chem 58: 6653-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00892 BindingDB Entry DOI: 10.7270/Q2H70HMZ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM196508 (US9212165, 16) Show SMILES O=C(N[C@]12CC[C@](C1)(CCC2)C#Cc1ccccn1)c1ccccn1 |r| Show InChI InChI=1S/C21H21N3O/c25-19(18-7-2-4-15-23-18)24-21-10-5-9-20(16-21,12-13-21)11-8-17-6-1-3-14-22-17/h1-4,6-7,14-15H,5,9-10,12-13,16H2,(H,24,25)/t20-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	7.4	n/a
H. Lundbeck A/S US Patent					Assay Description The rmGluR5 or hmGluR5 was stably expressed in a HEK 293 cell line and gown in Dulbecco's Modified Eagle Medium (DMEM) (Invitrogen, Carlsbad, Cal...				US Patent US9212165 (2015) BindingDB Entry DOI: 10.7270/Q2Z89B69
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50105802 (CHEMBL3597597) Show SMILES [#6]-c1cccc(c1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ncccc1-[#7+](-[#8-])=O Show InChI InChI=1S/C20H19N3O2/c1-16-5-2-7-18(15-16)8-3-6-17-10-13-22(14-11-17)20-19(23(24)25)9-4-12-21-20/h2,4-7,9,12,15H,10-11,13-14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Negative allosteric modulatory activity at human cloned mGluR5 receptor expressed in CHO-T-Rex cells assessed as inhibiton of quisqualate-induced cal...				Bioorg Med Chem 23: 3040-58 (2015) Article DOI: 10.1016/j.bmc.2015.05.008 BindingDB Entry DOI: 10.7270/Q2PK0HX0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM136140 (US8853203, 129 | US9650377, Example 129) Show SMILES CC(O)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:25,t:9| Show InChI InChI=1S/C21H22N4O2/c1-13(26)18-11-24(12-23-18)20-9-19-17-4-2-3-15(14-5-6-14)16(17)7-8-25(19)21(27)10-22-20/h2-4,9,11-14,26H,5-8,10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Activity of compounds of the present invention was examined by determination to what extent the glutamate-induced elevation of the intracellular calc...				US Patent US8853203 (2014) BindingDB Entry DOI: 10.7270/Q2MP520T
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50349571 (CHEMBL1808873) Show SMILES Cc1cc(ncc1C1CCCN1C(=O)c1cncs1)-c1cccc(Cl)c1 Show InChI InChI=1S/C20H18ClN3OS/c1-13-8-17(14-4-2-5-15(21)9-14)23-10-16(13)18-6-3-7-24(18)20(25)19-11-22-12-26-19/h2,4-5,8-12,18H,3,6-7H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGlu5 receptor expressed in HEK293 cells assessed as inhibition of glutamate-induced calcium mobilization aft...				Bioorg Med Chem Lett 21: 4891-9 (2011) Article DOI: 10.1016/j.bmcl.2011.06.014 BindingDB Entry DOI: 10.7270/Q2CN748G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50149793 (3-(2-Methyl-thiazol-4-ylethynyl)-5-phenyl-pyridine...) Show SMILES Cc1nc(cs1)C#Cc1cncc(c1)-c1ccccc1 Show InChI InChI=1S/C17H12N2S/c1-13-19-17(12-20-13)8-7-14-9-16(11-18-10-14)15-5-3-2-4-6-15/h2-6,9-12H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article 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 potency against human recombinant mGlu5 receptor was determined by [Ca2+] flux assay using glutamate as agonist				Bioorg Med Chem Lett 14: 3993-6 (2004) Article DOI: 10.1016/j.bmcl.2004.05.037 BindingDB Entry DOI: 10.7270/Q2T43SKQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50149802 (2-Methyl-4-m-tolylethynyl-thiazole | 2-methyl-4-(m...) Show SMILES Cc1nc(cs1)C#Cc1cccc(C)c1 Show InChI InChI=1S/C13H11NS/c1-10-4-3-5-12(8-10)6-7-13-9-15-11(2)14-13/h3-5,8-9H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article 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 potency against human recombinant mGlu5 receptor was determined by [Ca2+] flux assay using glutamate as agonist				Bioorg Med Chem Lett 14: 3993-6 (2004) Article DOI: 10.1016/j.bmcl.2004.05.037 BindingDB Entry DOI: 10.7270/Q2T43SKQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM136132 (US8853203, 96-2 | US9650377, Example 96-2) Show SMILES COCc1cn(cn1)C1=NCC(=O)N2CCc3c(ccc(F)c3C3CC3)C2=C1 |c:30,t:9| Show InChI InChI=1S/C21H21FN4O2/c1-28-11-14-10-25(12-24-14)19-8-18-15-4-5-17(22)21(13-2-3-13)16(15)6-7-26(18)20(27)9-23-19/h4-5,8,10,12-13H,2-3,6-7,9,11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Activity of compounds of the present invention was examined by determination to what extent the glutamate-induced elevation of the intracellular calc...				US Patent US8853203 (2014) BindingDB Entry DOI: 10.7270/Q2MP520T
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM136055 (US8853203, 99 | US9650377, Example 99s) Show SMILES Fc1ccc(c(F)n1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:16,t:14| Show InChI InChI=1S/C24H19F2N5O/c25-21-7-6-18(24(26)29-21)15-2-1-3-17-16(15)8-9-31-20(17)10-22(27-11-23(31)32)30-12-19(28-13-30)14-4-5-14/h1-3,6-7,10,12-14H,4-5,8-9,11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...				US Patent US9650377 (2017) BindingDB Entry DOI: 10.7270/Q2G73GT2
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM136071 (US8853203, 99p) Show SMILES COCc1ncn(n1)C1=NCC(=O)N2CCc3c(ccc(F)c3C3CC3)C2=C1 |c:30,t:9| Show InChI InChI=1S/C20H20FN5O2/c1-28-10-17-23-11-26(24-17)18-8-16-13-4-5-15(21)20(12-2-3-12)14(13)6-7-25(16)19(27)9-22-18/h4-5,8,11-12H,2-3,6-7,9-10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Activity of compounds of the present invention was examined by determination to what extent the glutamate-induced elevation of the intracellular calc...				US Patent US8853203 (2014) BindingDB Entry DOI: 10.7270/Q2MP520T
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50149805 (2-(Pyridin-3-yl)-5-(2-methylthiazol-4ylethynyl)pyr...) Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)-c1cccnc1 Show InChI InChI=1S/C16H11N3S/c1-12-19-15(11-20-12)6-4-13-5-7-16(18-9-13)14-3-2-8-17-10-14/h2-3,5,7-11H,1H3	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro potency against human recombinant mGlu5 receptor was determined by [Ca2+] flux assay using glutamate as agonist				Bioorg Med Chem Lett 14: 3993-6 (2004) Article DOI: 10.1016/j.bmcl.2004.05.037 BindingDB Entry DOI: 10.7270/Q2T43SKQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM136067 (US8853203, 99l) Show SMILES FC(F)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:25,t:9| Show InChI InChI=1S/C20H18F2N4O/c21-20(22)16-10-25(11-24-16)18-8-17-15-3-1-2-13(12-4-5-12)14(15)6-7-26(17)19(27)9-23-18/h1-3,8,10-12,20H,4-7,9H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Activity of compounds of the present invention was examined by determination to what extent the glutamate-induced elevation of the intracellular calc...				US Patent US8853203 (2014) BindingDB Entry DOI: 10.7270/Q2MP520T
					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))	BDBM136068 (US8853203, 99m) Show SMILES FCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:24,t:8| Show InChI InChI=1S/C20H19FN4O/c21-9-14-11-24(12-23-14)19-8-18-17-3-1-2-15(13-4-5-13)16(17)6-7-25(18)20(26)10-22-19/h1-3,8,11-13H,4-7,9-10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Activity of compounds of the present invention was examined by determination to what extent the glutamate-induced elevation of the intracellular calc...				US Patent US8853203 (2014) BindingDB Entry DOI: 10.7270/Q2MP520T
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM136132 (US8853203, 96-2 | US9650377, Example 96-2) Show SMILES COCc1cn(cn1)C1=NCC(=O)N2CCc3c(ccc(F)c3C3CC3)C2=C1 |c:30,t:9| Show InChI InChI=1S/C21H21FN4O2/c1-28-11-14-10-25(12-24-14)19-8-18-15-4-5-17(22)21(13-2-3-13)16(15)6-7-26(18)20(27)9-23-19/h4-5,8,10,12-13H,2-3,6-7,9,11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...				US Patent US9650377 (2017) BindingDB Entry DOI: 10.7270/Q2G73GT2
					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	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 Tested in vitro against human recombinant Metabotropic glutamate receptor 5 stably expressed in LtK cells by [Ca2+] flux assay using glutamate as ant...				J Med Chem 46: 204-6 (2003) Article DOI: 10.1021/jm025570j BindingDB Entry DOI: 10.7270/Q28P5ZT7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM136055 (US8853203, 99 | US9650377, Example 99s) Show SMILES Fc1ccc(c(F)n1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:16,t:14| Show InChI InChI=1S/C24H19F2N5O/c25-21-7-6-18(24(26)29-21)15-2-1-3-17-16(15)8-9-31-20(17)10-22(27-11-23(31)32)30-12-19(28-13-30)14-4-5-14/h1-3,6-7,10,12-14H,4-5,8-9,11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...				US Patent US9650377 (2017) BindingDB Entry DOI: 10.7270/Q2G73GT2
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM136055 (US8853203, 99 | US9650377, Example 99s) Show SMILES Fc1ccc(c(F)n1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1 |c:16,t:14| Show InChI InChI=1S/C24H19F2N5O/c25-21-7-6-18(24(26)29-21)15-2-1-3-17-16(15)8-9-31-20(17)10-22(27-11-23(31)32)30-12-19(28-13-30)14-4-5-14/h1-3,6-7,10,12-14H,4-5,8-9,11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...				US Patent US9650377 (2017) BindingDB Entry DOI: 10.7270/Q2G73GT2
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM136140 (US8853203, 129 | US9650377, Example 129) Show SMILES CC(O)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:25,t:9| Show InChI InChI=1S/C21H22N4O2/c1-13(26)18-11-24(12-23-18)20-9-19-17-4-2-3-15(14-5-6-14)16(17)7-8-25(19)21(27)10-22-20/h2-4,9,11-14,26H,5-8,10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...				US Patent US9650377 (2017) BindingDB Entry DOI: 10.7270/Q2G73GT2
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50181753 (3-[(2-methyl-4-thiazolyl)ethynyl]-5-vinylpyridine ...) Show SMILES Cc1nc(cs1)C#Cc1cncc(C=C)c1 Show InChI InChI=1S/C13H10N2S/c1-3-11-6-12(8-14-7-11)4-5-13-9-16-10(2)15-13/h3,6-9H,1H2,2H3	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	2.01	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a				J Med Chem 49: 1080-100 (2006) Article DOI: 10.1021/jm050570f BindingDB Entry DOI: 10.7270/Q27S7NC5
					More data for this Ligand-Target Pair

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