Compile Data Set for Download or QSAR

Found 13 hits with Last Name = 'gorostiza' and Initial = 'p'   

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))	BDBM50232462 (ADX-10059 | Raseglurant) Show SMILES Cc1cc(C)c(N)c(n1)C#Cc1cccc(F)c1 Show InChI InChI=1S/C15H13FN2/c1-10-8-11(2)18-14(15(10)17)7-6-12-4-3-5-13(16)9-12/h3-5,8-9H,17H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Advanced Chemistry of Catalonia (IQAC-CSIC) Curated by ChEMBL					Assay Description Negative allosteric modulation of mGlu5 receptor (unknown origin)				Eur J Med Chem 127: 567-576 (2017) Article DOI: 10.1016/j.ejmech.2017.01.013 BindingDB Entry DOI: 10.7270/Q2736T4T
					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	36	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Advanced Chemistry of Catalonia (IQAC-CSIC) Curated by ChEMBL					Assay Description Negative allosteric modulation of recombinant human mGlu5a receptor assessed as inhibition of quisqualate-stimulated phosphoinositide hydrolysis by c...				Eur J Med Chem 127: 567-576 (2017) Article DOI: 10.1016/j.ejmech.2017.01.013 BindingDB Entry DOI: 10.7270/Q2736T4T
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50179663 (1-(3-chlorophenyl)-3-(1-methyl-5-oxoimidazolidin-2...) Show SMILES Cn1c(O)cnc1NC(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C11H11ClN4O2/c1-16-9(17)6-13-10(16)15-11(18)14-8-4-2-3-7(12)5-8/h2-6,17H,1H3,(H2,13,14,15,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Advanced Chemistry of Catalonia (IQAC-CSIC) Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGlu5a receptor expressed in HEK293 cells co-expressing EAAC1 assessed as inhibition of quisqualate-induced i...				Eur J Med Chem 127: 567-576 (2017) Article DOI: 10.1016/j.ejmech.2017.01.013 BindingDB Entry DOI: 10.7270/Q2736T4T
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50232458 (CHEMBL4064885) Show SMILES c1ccc(nc1)C#Cc1cccc(c1)C#Cc1ccccn1 Show InChI InChI=1S/C20H12N2/c1-3-14-21-19(8-1)12-10-17-6-5-7-18(16-17)11-13-20-9-2-4-15-22-20/h1-9,14-16H	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	430	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Advanced Chemistry of Catalonia (IQAC-CSIC) Curated by ChEMBL					Assay Description Negative allosteric modulation of rat N-terminal HA-tagged mGlu5 receptor expressed in HEK293 cells co-expressing N-terminal HA-tagged EAAC1 assessed...				Eur J Med Chem 127: 567-576 (2017) Article DOI: 10.1016/j.ejmech.2017.01.013 BindingDB Entry DOI: 10.7270/Q2736T4T
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50232463 (CHEMBL4073483) Show SMILES c1ccc(\N=N\c2cccc(c2)C#Cc2ccccn2)nc1 Show InChI InChI=1S/C18H12N4/c1-3-12-19-16(7-1)11-10-15-6-5-8-17(14-15)21-22-18-9-2-4-13-20-18/h1-9,12-14H/b22-21+	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	960	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Advanced Chemistry of Catalonia (IQAC-CSIC) Curated by ChEMBL					Assay Description Negative allosteric modulation of rat N-terminal HA-tagged mGlu5 receptor expressed in HEK293 cells co-expressing N-terminal HA-tagged EAAC1 assessed...				Eur J Med Chem 127: 567-576 (2017) Article DOI: 10.1016/j.ejmech.2017.01.013 BindingDB Entry DOI: 10.7270/Q2736T4T
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50232459 (CHEMBL4094126) Show SMILES c1ccc(nc1)C#Cc1ccc(cc1)C#Cc1ccccn1 Show InChI InChI=1S/C20H12N2/c1-3-15-21-19(5-1)13-11-17-7-9-18(10-8-17)12-14-20-6-2-4-16-22-20/h1-10,15-16H	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	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Advanced Chemistry of Catalonia (IQAC-CSIC) Curated by ChEMBL					Assay Description Negative allosteric modulation of rat N-terminal HA-tagged mGlu5 receptor expressed in HEK293 cells co-expressing N-terminal HA-tagged EAAC1 assessed...				Eur J Med Chem 127: 567-576 (2017) Article DOI: 10.1016/j.ejmech.2017.01.013 BindingDB Entry DOI: 10.7270/Q2736T4T
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50601609 (CHEMBL5175325) Show SMILES Cl.Cl.CN1CCN(CC(=O)Nc2ccccc2\N=N/c2ccccc2)CC1 Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00504 BindingDB Entry DOI: 10.7270/Q2C82FCV
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50179663 (1-(3-chlorophenyl)-3-(1-methyl-5-oxoimidazolidin-2...) Show SMILES Cn1c(O)cnc1NC(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C11H11ClN4O2/c1-16-9(17)6-13-10(16)15-11(18)14-8-4-2-3-7(12)5-8/h2-6,17H,1H3,(H2,13,14,15,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Advanced Chemistry of Catalonia (IQAC-CSIC) Curated by ChEMBL					Assay Description Negative allosteric modulation of rat N-terminal HA-tagged mGlu5 receptor expressed in HEK293 cells co-expressing N-terminal HA-tagged EAAC1 assessed...				Eur J Med Chem 127: 567-576 (2017) Article DOI: 10.1016/j.ejmech.2017.01.013 BindingDB Entry DOI: 10.7270/Q2736T4T
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50232460 (CHEMBL4101860) Show SMILES c1ccc(\N=N/c2ccc(cc2)C#Cc2ccccn2)nc1 Show InChI InChI=1S/C18H12N4/c1-3-13-19-16(5-1)10-7-15-8-11-17(12-9-15)21-22-18-6-2-4-14-20-18/h1-6,8-9,11-14H/b22-21-	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	3.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Advanced Chemistry of Catalonia (IQAC-CSIC) Curated by ChEMBL					Assay Description Negative allosteric modulation of rat N-terminal HA-tagged mGlu5 receptor expressed in HEK293 cells co-expressing N-terminal HA-tagged EAAC1 assessed...				Eur J Med Chem 127: 567-576 (2017) Article DOI: 10.1016/j.ejmech.2017.01.013 BindingDB Entry DOI: 10.7270/Q2736T4T
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50232461 (CHEMBL4083861) Show SMILES c1ccc(\N=N\c2cccc(c2)\N=N\c2ccccn2)nc1 Show InChI InChI=1S/C16H12N6/c1-3-10-17-15(8-1)21-19-13-6-5-7-14(12-13)20-22-16-9-2-4-11-18-16/h1-12H/b21-19+,22-20+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Advanced Chemistry of Catalonia (IQAC-CSIC) Curated by ChEMBL					Assay Description Negative allosteric modulation of rat N-terminal HA-tagged mGlu5 receptor expressed in HEK293 cells co-expressing N-terminal HA-tagged EAAC1 assessed...				Eur J Med Chem 127: 567-576 (2017) Article DOI: 10.1016/j.ejmech.2017.01.013 BindingDB Entry DOI: 10.7270/Q2736T4T
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50232472 (CHEMBL4063852) Show SMILES c1ccc(\N=N\c2ccc(cc2)\N=N\c2ccccn2)nc1 Show InChI InChI=1S/C16H12N6/c1-3-11-17-15(5-1)21-19-13-7-9-14(10-8-13)20-22-16-6-2-4-12-18-16/h1-12H/b21-19+,22-20+	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	6.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Advanced Chemistry of Catalonia (IQAC-CSIC) Curated by ChEMBL					Assay Description Negative allosteric modulation of rat N-terminal HA-tagged mGlu5 receptor expressed in HEK293 cells co-expressing N-terminal HA-tagged EAAC1 assessed...				Eur J Med Chem 127: 567-576 (2017) Article DOI: 10.1016/j.ejmech.2017.01.013 BindingDB Entry DOI: 10.7270/Q2736T4T
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2 (Homo sapiens (Human))	BDBM50482549 (CHEMBL1222147) Show SMILES N[C@@H](C[C@@H](CCCC(=O)NCC(=O)Nc1ccccc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C17H23N3O6/c18-13(17(25)26)9-11(16(23)24)5-4-8-14(21)19-10-15(22)20-12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10,18H2,(H,19,21)(H,20,22)(H,23,24)(H,25,26)/t11-,13+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.80E+5	n/a	n/a	n/a	n/a
University of California Berkeley Curated by ChEMBL					Assay Description Agonist activity at iGluR6 L439C mutant expressed in human HEK293 cells assessed as increase in intracellular Ca2+ levels by FURA-2-M staining based ...				Nat Chem Biol 2: 47-52 (2006) Article DOI: 10.1038/nchembio756 BindingDB Entry DOI: 10.7270/Q2JS9T8F
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2 (Homo sapiens (Human))	BDBM50088213 ((2S,4R)-4-allyl glutamate | 2-Allyl-4-amino-pentan...) Show SMILES N[C@@H](C[C@@H](CC=C)C(O)=O)C(O)=O Show InChI InChI=1S/C8H13NO4/c1-2-3-5(7(10)11)4-6(9)8(12)13/h2,5-6H,1,3-4,9H2,(H,10,11)(H,12,13)/t5-,6+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a
University of California Berkeley Curated by ChEMBL					Assay Description Agonist activity at iGluR6 L439C mutant expressed in human HEK293 cells assessed as increase in intracellular Ca2+ levels by FURA-2-M staining based ...				Nat Chem Biol 2: 47-52 (2006) Article DOI: 10.1038/nchembio756 BindingDB Entry DOI: 10.7270/Q2JS9T8F
					More data for this Ligand-Target Pair