Compile Data Set for Download or QSAR

Found 854 hits with Last Name = 'carcache' and Initial = 'd'   

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))	BDBM50336921 (3-chloro-5-(7-chloro-1-propyl-1H-benzo[d]imidazol-...) Show SMILES CCCn1c(nc2cccc(Cl)c12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1 Show InChI InChI=1S/C21H19Cl2N5/c1-3-9-28-19-16(22)5-4-6-18(19)27-21(28)14-10-17(23)20(25-11-14)26-15-8-7-13(2)24-12-15/h4-8,10-12H,3,9H2,1-2H3,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]ABP688 from human recombinant mGlu5 receptor				ACS Med Chem Lett 2: 58-62 (2011) Article DOI: 10.1021/ml100215b BindingDB Entry DOI: 10.7270/Q22R3RZM
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50336921 (3-chloro-5-(7-chloro-1-propyl-1H-benzo[d]imidazol-...) Show SMILES CCCn1c(nc2cccc(Cl)c12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1 Show InChI InChI=1S/C21H19Cl2N5/c1-3-9-28-19-16(22)5-4-6-18(19)27-21(28)14-10-17(23)20(25-11-14)26-15-8-7-13(2)24-12-15/h4-8,10-12H,3,9H2,1-2H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]ABP688 from mGlu5 receptor in rat brain tissue				ACS Med Chem Lett 2: 58-62 (2011) Article DOI: 10.1021/ml100215b BindingDB Entry DOI: 10.7270/Q22R3RZM
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50392323 (CHEMBL2153782) Show SMILES Cc1cccc(NC(=O)c2nc(C)cc3cc[nH]c23)n1 Show InChI InChI=1S/C15H14N4O/c1-9-4-3-5-12(17-9)19-15(20)14-13-11(6-7-16-13)8-10(2)18-14/h3-8,16H,1-2H3,(H,17,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]ABP688 from human mGluR5a transmembrane region expressed in mouse L(tk-) cells				Bioorg Med Chem Lett 22: 6454-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.053 BindingDB Entry DOI: 10.7270/Q2765GDX
					More data for this Ligand-Target Pair
Glutamate receptor 2 (Homo sapiens (Human))	BDBM86751 (CHEMBL14935 | LY 293558 | LY-293558) Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1 Show InChI InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Binding affinity to GluR2				J Med Chem 53: 5367-82 (2010) Article DOI: 10.1021/jm901688m BindingDB Entry DOI: 10.7270/Q2FX79NV
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1 (Homo sapiens (Human))	BDBM86751 (CHEMBL14935 | LY 293558 | LY-293558) Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1 Show InChI InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Binding affinity to GluR5				J Med Chem 53: 5367-82 (2010) Article DOI: 10.1021/jm901688m BindingDB Entry DOI: 10.7270/Q2FX79NV
					More data for this Ligand-Target Pair
Glutamate receptor 1 (Homo sapiens (Human))	BDBM86751 (CHEMBL14935 | LY 293558 | LY-293558) Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1 Show InChI InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Binding affinity to GluR1				J Med Chem 53: 5367-82 (2010) Article DOI: 10.1021/jm901688m BindingDB Entry DOI: 10.7270/Q2FX79NV
					More data for this Ligand-Target Pair
Glutamate receptor 3 (Homo sapiens (Human))	BDBM86751 (CHEMBL14935 | LY 293558 | LY-293558) Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1 Show InChI InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Binding affinity to GluR3				J Med Chem 53: 5367-82 (2010) Article DOI: 10.1021/jm901688m BindingDB Entry DOI: 10.7270/Q2FX79NV
					More data for this Ligand-Target Pair
Glutamate receptor 4 (Homo sapiens (Human))	BDBM86751 (CHEMBL14935 | LY 293558 | LY-293558) Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1 Show InChI InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.05E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Binding affinity to GluR4				J Med Chem 53: 5367-82 (2010) Article DOI: 10.1021/jm901688m BindingDB Entry DOI: 10.7270/Q2FX79NV
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2 (Homo sapiens (Human))	BDBM86751 (CHEMBL14935 | LY 293558 | LY-293558) Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1 Show InChI InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Binding affinity to GluR6				J Med Chem 53: 5367-82 (2010) Article DOI: 10.1021/jm901688m BindingDB Entry DOI: 10.7270/Q2FX79NV
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, kainate 3 (Homo sapiens (Human))	BDBM86751 (CHEMBL14935 | LY 293558 | LY-293558) Show SMILES OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1 Show InChI InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Binding affinity to GluR7				J Med Chem 53: 5367-82 (2010) Article DOI: 10.1021/jm901688m BindingDB Entry DOI: 10.7270/Q2FX79NV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50281849 (CHEMBL4175305) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cnc(O[C@@H](C)c3ccccc3)c(Cl)c2)cc1 |r| Show InChI InChI=1S/C23H23ClN2O4S/c1-3-31(28,29)20-11-9-17(10-12-20)13-22(27)26-19-14-21(24)23(25-15-19)30-16(2)18-7-5-4-6-8-18/h4-12,14-16H,3,13H2,1-2H3,(H,26,27)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inverse agonist activity at human His6-tagged RORgammat LBD (264 to 518 residues) assessed as reduction in biotinylated RIP140 co-activator recruitme...				J Med Chem 61: 6724-6735 (2018) Article DOI: 10.1021/acs.jmedchem.8b00529 BindingDB Entry DOI: 10.7270/Q2Z60RK3
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 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))	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))	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))	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))	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))	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))	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))	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 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))	BDBM136049 (US8853203, 93 | US9650377, Example 93) Show SMILES COCc1ncn(n1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:25,t:9| Show InChI InChI=1S/C20H21N5O2/c1-27-11-18-22-12-25(23-18)19-9-17-16-4-2-3-14(13-5-6-13)15(16)7-8-24(17)20(26)10-21-19/h2-4,9,12-13H,5-8,10-11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	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))	BDBM136066 (US8853203, 99k) Show SMILES COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cc(F)cc3C2=C1)C1CC1 |c:26,t:9| Show InChI InChI=1S/C21H21FN4O2/c1-28-11-15-10-25(12-24-15)20-8-19-18-7-14(22)6-17(13-2-3-13)16(18)4-5-26(19)21(27)9-23-20/h6-8,10,12-13H,2-5,9,11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	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))	BDBM136106 (US8853203, 123 | US9650377, Example 123) Show SMILES CO[C@H](C)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |r,c:26,t:10| Show InChI InChI=1S/C22H24N4O2/c1-14(28-2)19-12-25(13-24-19)21-10-20-18-5-3-4-16(15-6-7-15)17(18)8-9-26(20)22(27)11-23-21/h3-5,10,12-15H,6-9,11H2,1-2H3/t14-/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	3	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	3	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))	BDBM136049 (US8853203, 93 | US9650377, Example 93) Show SMILES COCc1ncn(n1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:25,t:9| Show InChI InChI=1S/C20H21N5O2/c1-27-11-18-22-12-25(23-18)19-9-17-16-4-2-3-14(13-5-6-13)15(16)7-8-24(17)20(26)10-21-19/h2-4,9,12-13H,5-8,10-11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	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))	BDBM136106 (US8853203, 123 | US9650377, Example 123) Show SMILES CO[C@H](C)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |r,c:26,t:10| Show InChI InChI=1S/C22H24N4O2/c1-14(28-2)19-12-25(13-24-19)21-10-20-18-5-3-4-16(15-6-7-15)17(18)8-9-26(20)22(27)11-23-21/h3-5,10,12-15H,6-9,11H2,1-2H3/t14-/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	3	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
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50281897 (CHEMBL4171857) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cnc(OCc3ccccc3)c(Cl)c2)cc1 Show InChI InChI=1S/C22H21ClN2O4S/c1-2-30(27,28)19-10-8-16(9-11-19)12-21(26)25-18-13-20(23)22(24-14-18)29-15-17-6-4-3-5-7-17/h3-11,13-14H,2,12,15H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inverse agonist activity at human His6-tagged RORgammat LBD (264 to 518 residues) assessed as reduction in biotinylated RIP140 co-activator recruitme...				J Med Chem 61: 6724-6735 (2018) Article DOI: 10.1021/acs.jmedchem.8b00529 BindingDB Entry DOI: 10.7270/Q2Z60RK3
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50392324 (CHEMBL2153783) Show SMILES Cc1csc(NC(=O)c2nc(C)cc3cc[nH]c23)n1 Show InChI InChI=1S/C13H12N4OS/c1-7-5-9-3-4-14-10(9)11(15-7)12(18)17-13-16-8(2)6-19-13/h3-6,14H,1-2H3,(H,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human mGluR5a expressed in mouse L(tk-) cells assessed as inhibition of glutamate-induced Ca2+ influx by FLIPR assay				Bioorg Med Chem Lett 22: 6454-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.053 BindingDB Entry DOI: 10.7270/Q2765GDX
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM136105 (US8853203, 122 | US9650377, Example 122) Show SMILES CO[C@@H](C)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |r,c:26,t:10| Show InChI InChI=1S/C22H24N4O2/c1-14(28-2)19-12-25(13-24-19)21-10-20-18-5-3-4-16(15-6-7-15)17(18)8-9-26(20)22(27)11-23-21/h3-5,10,12-15H,6-9,11H2,1-2H3/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	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))	BDBM136113 (US8853203, 124 | US9650377, Example 124) Show SMILES CCC(=O)c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CCC1 |c:11,t:9| Show InChI InChI=1S/C23H24N4O2/c1-2-21(28)18-8-4-7-17-16(18)9-10-27-20(17)11-22(24-12-23(27)29)26-13-19(25-14-26)15-5-3-6-15/h4,7-8,11,13-15H,2-3,5-6,9-10,12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	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))	BDBM136113 (US8853203, 124 | US9650377, Example 124) Show SMILES CCC(=O)c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CCC1 |c:11,t:9| Show InChI InChI=1S/C23H24N4O2/c1-2-21(28)18-8-4-7-17-16(18)9-10-27-20(17)11-22(24-12-23(27)29)26-13-19(25-14-26)15-5-3-6-15/h4,7-8,11,13-15H,2-3,5-6,9-10,12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	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))	BDBM136105 (US8853203, 122 | US9650377, Example 122) Show SMILES CO[C@@H](C)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |r,c:26,t:10| Show InChI InChI=1S/C22H24N4O2/c1-14(28-2)19-12-25(13-24-19)21-10-20-18-5-3-4-16(15-6-7-15)17(18)8-9-26(20)22(27)11-23-21/h3-5,10,12-15H,6-9,11H2,1-2H3/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	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))	BDBM136034 (US8853203, 88a | US9650377, Example 88a) Show SMILES CCCc1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)-c1ncco1 |c:10,t:8| Show InChI InChI=1S/C22H21N5O2/c1-2-4-15-5-3-6-17-16(15)7-9-27-19(17)11-20(24-12-21(27)28)26-13-18(25-14-26)22-23-8-10-29-22/h3,5-6,8,10-11,13-14H,2,4,7,9,12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	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))	BDBM136034 (US8853203, 88a | US9650377, Example 88a) Show SMILES CCCc1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)-c1ncco1 |c:10,t:8| Show InChI InChI=1S/C22H21N5O2/c1-2-4-15-5-3-6-17-16(15)7-9-27-19(17)11-20(24-12-21(27)28)26-13-18(25-14-26)22-23-8-10-29-22/h3,5-6,8,10-11,13-14H,2,4,7,9,12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	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))	BDBM136131 (US8853203, 143 | US8853203, 96-1 | US9650377, Exam...) Show SMILES COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:25,t:9| Show InChI InChI=1S/C21H22N4O2/c1-27-12-15-11-24(13-23-15)20-9-19-18-4-2-3-16(14-5-6-14)17(18)7-8-25(19)21(26)10-22-20/h2-4,9,11,13-14H,5-8,10,12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	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))	BDBM136069 (US8853203, 99n) Show SMILES CO[C@H](C)c1cn(cn1)C1=NCC(=O)N2CCc3c(ccc(F)c3C3CC3)C2=C1 |r,c:31,t:10| Show InChI InChI=1S/C22H23FN4O2/c1-13(29-2)18-11-26(12-25-18)20-9-19-15-5-6-17(23)22(14-3-4-14)16(15)7-8-27(19)21(28)10-24-20/h5-6,9,11-14H,3-4,7-8,10H2,1-2H3/t13-/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	6	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	6	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))	BDBM308239 (US9650377, Example 126) Show SMILES CC(C)(C)[Si](OCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1)(c1ccccc1)c1ccccc1 |c:29,t:13| Show InChI InChI=1S/C36H38N4O2Si/c1-36(2,3)43(28-11-6-4-7-12-28,29-13-8-5-9-14-29)42-24-27-23-39(25-38-27)34-21-33-32-16-10-15-30(26-17-18-26)31(32)19-20-40(33)35(41)22-37-34/h4-16,21,23,25-26H,17-20,22,24H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	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))	BDBM136131 (US8853203, 143 | US8853203, 96-1 | US9650377, Exam...) Show SMILES COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:25,t:9| Show InChI InChI=1S/C21H22N4O2/c1-27-12-15-11-24(13-23-15)20-9-19-18-4-2-3-16(14-5-6-14)17(18)7-8-25(19)21(26)10-22-20/h2-4,9,11,13-14H,5-8,10,12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	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))	BDBM136139 (US8853203, 126) Show SMILES OCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1 |c:24,t:8| Show InChI InChI=1S/C20H20N4O2/c25-11-14-10-23(12-22-14)19-8-18-17-3-1-2-15(13-4-5-13)16(17)6-7-24(18)20(26)9-21-19/h1-3,8,10,12-13,25H,4-7,9,11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	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))	BDBM136065 (US8853203, 99j) Show SMILES CO[C@H](C)c1cn(cn1)C1=NCC(=O)N2CCc3c(ccc(F)c3C2=C1)C1CC1 |r,c:27,t:10| Show InChI InChI=1S/C22H23FN4O2/c1-13(29-2)18-11-26(12-25-18)20-9-19-22-16(7-8-27(19)21(28)10-24-20)15(14-3-4-14)5-6-17(22)23/h5-6,9,11-14H,3-4,7-8,10H2,1-2H3/t13-/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	7	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))	BDBM136078 (US8853203, 104 | US9650377, Example 104) Show SMILES O=C1CN=C(C=C2N1CCc1c(cccc21)-c1ncco1)n1cnc(c1)C1CC1 |c:3,5| Show InChI InChI=1S/C22H19N5O2/c28-21-11-24-20(26-12-18(25-13-26)14-4-5-14)10-19-16-2-1-3-17(22-23-7-9-29-22)15(16)6-8-27(19)21/h1-3,7,9-10,12-14H,4-6,8,11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7	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))	BDBM135998 (US8853203, 53 | US9650377, Example 53) Show SMILES COc1cc(ccn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccc(F)nc3)C2=C1 |c:33,t:9| Show InChI InChI=1S/C24H19FN4O2/c1-31-23-11-15(7-9-26-23)20-12-21-19-4-2-3-17(16-5-6-22(25)28-13-16)18(19)8-10-29(21)24(30)14-27-20/h2-7,9,11-13H,8,10,14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7	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

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