Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50017064   

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 1 (RAT)	BDBM50177063 (3-(4-Bromo-phenyl)-9-dimethylamino-3H-pyrido[3',2'...) Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc(Br)cc4)c3=O)c12 Show InChI InChI=1S/C17H13BrN4OS/c1-21(2)12-7-8-19-16-13(12)14-15(24-16)17(23)22(9-20-14)11-5-3-10(18)4-6-11/h3-9H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]R214127 from mGluR1 in rat cerebellum membranes				J Med Chem 48: 7374-88 (2005) Article DOI: 10.1021/jm0504407 BindingDB Entry DOI: 10.7270/Q27P8XX0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50177097 (9-Dimethylamino-3-p-tolyl-3H-pyrido[3',2':4,5]thie...) Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc(C)cc4)c3=O)c12 Show InChI InChI=1S/C18H16N4OS/c1-11-4-6-12(7-5-11)22-10-20-15-14-13(21(2)3)8-9-19-17(14)24-16(15)18(22)23/h4-10H,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]R214127 from mGluR1 in rat cerebellum membranes				J Med Chem 48: 7374-88 (2005) Article DOI: 10.1021/jm0504407 BindingDB Entry DOI: 10.7270/Q27P8XX0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50177065 (9-Dimethylamino-3-(2,4-dimethyl-phenyl)-3H-pyrido[...) Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc(C)cc4C)c3=O)c12 Show InChI InChI=1S/C19H18N4OS/c1-11-5-6-13(12(2)9-11)23-10-21-16-15-14(22(3)4)7-8-20-18(15)25-17(16)19(23)24/h5-10H,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]R214127 from mGluR1 in rat cerebellum membranes				J Med Chem 48: 7374-88 (2005) Article DOI: 10.1021/jm0504407 BindingDB Entry DOI: 10.7270/Q27P8XX0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50177076 (3-(4-Chloro-phenyl)-9-dimethylamino-3H-pyrido[3',2...) Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c12 Show InChI InChI=1S/C17H13ClN4OS/c1-21(2)12-7-8-19-16-13(12)14-15(24-16)17(23)22(9-20-14)11-5-3-10(18)4-6-11/h3-9H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]R214127 from mGluR1 in rat cerebellum membranes				J Med Chem 48: 7374-88 (2005) Article DOI: 10.1021/jm0504407 BindingDB Entry DOI: 10.7270/Q27P8XX0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50177053 (9-Dimethylamino-3-(4-ethyl-phenyl)-3H-pyrido[3',2'...) Show SMILES CCc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O Show InChI InChI=1S/C19H18N4OS/c1-4-12-5-7-13(8-6-12)23-11-21-16-15-14(22(2)3)9-10-20-18(15)25-17(16)19(23)24/h5-11H,4H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]R214127 from mGluR1 in rat cerebellum membranes				J Med Chem 48: 7374-88 (2005) Article DOI: 10.1021/jm0504407 BindingDB Entry DOI: 10.7270/Q27P8XX0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50177055 (9-Dimethylamino-3-(3-ethyl-phenyl)-3H-pyrido[3',2'...) Show SMILES CCc1cccc(c1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O Show InChI InChI=1S/C19H18N4OS/c1-4-12-6-5-7-13(10-12)23-11-21-16-15-14(22(2)3)8-9-20-18(15)25-17(16)19(23)24/h5-11H,4H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]R214127 from mGluR1 in rat cerebellum membranes				J Med Chem 48: 7374-88 (2005) Article DOI: 10.1021/jm0504407 BindingDB Entry DOI: 10.7270/Q27P8XX0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50177057 (9-Dimethylamino-3-(4-trifluoromethyl-phenyl)-3H-py...) Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc(cc4)C(F)(F)F)c3=O)c12 Show InChI InChI=1S/C18H13F3N4OS/c1-24(2)12-7-8-22-16-13(12)14-15(27-16)17(26)25(9-23-14)11-5-3-10(4-6-11)18(19,20)21/h3-9H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]R214127 from mGluR1 in rat cerebellum membranes				J Med Chem 48: 7374-88 (2005) Article DOI: 10.1021/jm0504407 BindingDB Entry DOI: 10.7270/Q27P8XX0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50177078 (9-Dimethylamino-3-(4-fluoro-phenyl)-3H-pyrido[3',2...) Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc(F)cc4)c3=O)c12 Show InChI InChI=1S/C17H13FN4OS/c1-21(2)12-7-8-19-16-13(12)14-15(24-16)17(23)22(9-20-14)11-5-3-10(18)4-6-11/h3-9H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]R214127 from mGluR1 in rat cerebellum membranes				J Med Chem 48: 7374-88 (2005) Article DOI: 10.1021/jm0504407 BindingDB Entry DOI: 10.7270/Q27P8XX0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50177081 (3-(2,4-Dichloro-phenyl)-9-dimethylamino-3H-pyrido[...) Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc(Cl)cc4Cl)c3=O)c12 Show InChI InChI=1S/C17H12Cl2N4OS/c1-22(2)12-5-6-20-16-13(12)14-15(25-16)17(24)23(8-21-14)11-4-3-9(18)7-10(11)19/h3-8H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]R214127 from mGluR1 in rat cerebellum membranes				J Med Chem 48: 7374-88 (2005) Article DOI: 10.1021/jm0504407 BindingDB Entry DOI: 10.7270/Q27P8XX0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50177082 (9-dimethylamino-3-(1H-indazol-6-yl)-3H-5-thia-1,3,...) Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc5cn[nH]c5c4)c3=O)c12 Show InChI InChI=1S/C18H14N6OS/c1-23(2)13-5-6-19-17-14(13)15-16(26-17)18(25)24(9-20-15)11-4-3-10-8-21-22-12(10)7-11/h3-9H,1-2H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]R214127 from mGluR1 in rat cerebellum membranes				J Med Chem 48: 7374-88 (2005) Article DOI: 10.1021/jm0504407 BindingDB Entry DOI: 10.7270/Q27P8XX0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50177064 (3-Benzyl-9-dimethylamino-3H-pyrido[3',2':4,5]thien...) Show SMILES CN(C)c1ccnc2sc3c(ncn(Cc4ccccc4)c3=O)c12 Show InChI InChI=1S/C18H16N4OS/c1-21(2)13-8-9-19-17-14(13)15-16(24-17)18(23)22(11-20-15)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]R214127 from mGluR1 in rat cerebellum membranes				J Med Chem 48: 7374-88 (2005) Article DOI: 10.1021/jm0504407 BindingDB Entry DOI: 10.7270/Q27P8XX0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50177067 (9-Dimethylamino-3-(2-hydroxy-phenyl)-3H-pyrido[3',...) Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccccc4O)c3=O)c12 Show InChI InChI=1S/C17H14N4O2S/c1-20(2)11-7-8-18-16-13(11)14-15(24-16)17(23)21(9-19-14)10-5-3-4-6-12(10)22/h3-9,22H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]R214127 from mGluR1 in rat cerebellum membranes				J Med Chem 48: 7374-88 (2005) Article DOI: 10.1021/jm0504407 BindingDB Entry DOI: 10.7270/Q27P8XX0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50177056 (9-Dimethylamino-3-(2-ethyl-phenyl)-3H-pyrido[3',2'...) Show SMILES CCc1ccccc1-n1cnc2c(sc3nccc(N(C)C)c23)c1=O Show InChI InChI=1S/C19H18N4OS/c1-4-12-7-5-6-8-13(12)23-11-21-16-15-14(22(2)3)9-10-20-18(15)25-17(16)19(23)24/h5-11H,4H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	142	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]R214127 from mGluR1 in rat cerebellum membranes				J Med Chem 48: 7374-88 (2005) Article DOI: 10.1021/jm0504407 BindingDB Entry DOI: 10.7270/Q27P8XX0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50177084 (9-Dimethylamino-3-(6-methoxy-pyridin-3-yl)-3H-pyri...) Show SMILES COc1ccc(cn1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O Show InChI InChI=1S/C17H15N5O2S/c1-21(2)11-6-7-18-16-13(11)14-15(25-16)17(23)22(9-20-14)10-4-5-12(24-3)19-8-10/h4-9H,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	261	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]R214127 from mGluR1 in rat cerebellum membranes				J Med Chem 48: 7374-88 (2005) Article DOI: 10.1021/jm0504407 BindingDB Entry DOI: 10.7270/Q27P8XX0
					More data for this Ligand-Target Pair