Compile Data Set for Download or QSAR

Found 324 hits with Last Name = 'zheng' and Initial = 'gz'   

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)	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)	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)	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 5 (Rattus norvegicus (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	194	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]MPEP from rat cortex mGluR5				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
Metabotropic glutamate receptor 5 (Rattus norvegicus (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	500	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]MPEP from rat cortex mGluR5				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 5 (Rattus norvegicus (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	613	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]MPEP from rat cortex mGluR5				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 5 (Rattus norvegicus (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.03E+3	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]MPEP from rat cortex mGluR5				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 5 (Rattus norvegicus (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.18E+3	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]MPEP from rat cortex mGluR5				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 5 (Rattus norvegicus (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+3	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]MPEP from rat cortex mGluR5				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 5 (Rattus norvegicus (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.44E+3	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]MPEP from rat cortex mGluR5				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 5 (Rattus norvegicus (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from rat cortex mGluR5				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 5 (Rattus norvegicus (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from rat cortex mGluR5				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 5 (Rattus norvegicus (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from rat cortex mGluR5				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 5 (Rattus norvegicus (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from rat cortex mGluR5				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 5 (Rattus norvegicus (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+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]MPEP from rat cortex mGluR5				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 5 (Rattus norvegicus (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from rat cortex mGluR5				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 5 (Rattus norvegicus (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+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]MPEP from rat cortex mGluR5				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 (Homo sapiens (Human))	BDBM50177100 (3-Cycloheptyl-9-dimethylamino-3H-pyrido[3',2':4,5]...) Show SMILES CN(C)c1ccnc2sc3c(ncn(C4CCCCCC4)c3=O)c12 Show InChI InChI=1S/C18H22N4OS/c1-21(2)13-9-10-19-17-14(13)15-16(24-17)18(23)22(11-20-15)12-7-5-3-4-6-8-12/h9-12H,3-8H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human mGluR1 expressed in 1321N1 cells assessed as effect on L-glutamate-induced calcium mobilization				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)	BDBM50177080 (3-azepan-1-yl-9-dimethylamino-3H-pyrido[3',2':4,5]...) Show SMILES CN(C)c1ccnc2sc3c(ncn(N4CCCCCC4)c3=O)c12 Show InChI InChI=1S/C17H21N5OS/c1-20(2)12-7-8-18-16-13(12)14-15(24-16)17(23)22(11-19-14)21-9-5-3-4-6-10-21/h7-8,11H,3-6,9-10H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR1 expressed in 1321N1 cells				Bioorg Med Chem Lett 16: 4936-40 (2006) Article DOI: 10.1016/j.bmcl.2006.06.053 BindingDB Entry DOI: 10.7270/Q2C24W2W
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50102928 (5-(3-Bromo-phenyl)-7-(6-thiomorpholin-4-yl-pyridin...) Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCSCC1 Show InChI InChI=1S/C22H19BrN6S/c23-16-3-1-2-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-4-5-19(25-12-15)29-6-8-30-9-7-29/h1-5,10-13H,6-9H2,(H2,24,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro concentration required for 50% inhibition against Adenosine Kinase (AK) in the presence of intact cells				Bioorg Med Chem Lett 11: 2071-4 (2001) BindingDB Entry DOI: 10.7270/Q2CN735Q
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50102925 (5-(3-Bromo-phenyl)-7-[6-(1,4-dioxa-8-aza-spiro[4.5...) Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCC2(CC1)OCCO2 Show InChI InChI=1S/C25H23BrN6O2/c26-18-3-1-2-16(12-18)19-13-20(31-24-22(19)23(27)29-15-30-24)17-4-5-21(28-14-17)32-8-6-25(7-9-32)33-10-11-34-25/h1-5,12-15H,6-11H2,(H2,27,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro concentration required for 50% inhibition against Adenosine Kinase (AK) in the presence of enzyme				Bioorg Med Chem Lett 11: 2071-4 (2001) BindingDB Entry DOI: 10.7270/Q2CN735Q
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50102927 (5'-[4-Amino-5-(3-bromo-phenyl)-pyrido[2,3-d]pyrimi...) Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCC(O)CC1 Show InChI InChI=1S/C23H21BrN6O/c24-16-3-1-2-14(10-16)18-11-19(29-23-21(18)22(25)27-13-28-23)15-4-5-20(26-12-15)30-8-6-17(31)7-9-30/h1-5,10-13,17,31H,6-9H2,(H2,25,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro concentration required for 50% inhibition against Adenosine Kinase (AK) in the presence of enzyme				Bioorg Med Chem Lett 11: 2071-4 (2001) BindingDB Entry DOI: 10.7270/Q2CN735Q
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50132280 (5-(3-Bromo-phenyl)-7-{6-[4-(tetrahydro-pyran-4-ylo...) Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nn1)N1CCC(COC2CCOCC2)CC1 Show InChI InChI=1S/C28H30BrN7O2/c29-20-3-1-2-19(14-20)22-15-24(33-28-26(22)27(30)31-17-32-28)23-4-5-25(35-34-23)36-10-6-18(7-11-36)16-38-21-8-12-37-13-9-21/h1-5,14-15,17-18,21H,6-13,16H2,(H2,30,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against adenosine kinase was determined				Bioorg Med Chem Lett 13: 3041-4 (2003) BindingDB Entry DOI: 10.7270/Q2JH3KJ3
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	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 antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human mGluR1 expressed in 1321N1 cells assessed as effect on L-glutamate-induced calcium mobilization				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 (Homo sapiens (Human))	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 antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human mGluR1 expressed in 1321N1 cells				Bioorg Med Chem Lett 16: 4936-40 (2006) Article DOI: 10.1016/j.bmcl.2006.06.053 BindingDB Entry DOI: 10.7270/Q2C24W2W
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50102924 (5-(3-Bromo-phenyl)-7-(6-pyrrolidin-1-yl-pyridin-3-...) Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCCC1 Show InChI InChI=1S/C22H19BrN6/c23-16-5-3-4-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-6-7-19(25-12-15)29-8-1-2-9-29/h3-7,10-13H,1-2,8-9H2,(H2,24,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro concentration required for 50% inhibition against Adenosine Kinase (AK) in the presence of intact cells				Bioorg Med Chem Lett 11: 2071-4 (2001) BindingDB Entry DOI: 10.7270/Q2CN735Q
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	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 antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human mGluR1 expressed in 1321N1 cells assessed as effect on L-glutamate-induced calcium mobilization				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
Adenosine kinase (Homo sapiens (Human))	BDBM50102929 (5-(3-Bromo-phenyl)-7-[6-((R)-2-methoxy-pyrrolidin-...) Show SMILES CO[C@@H]1CCCN1c1ccc(cn1)-c1cc(-c2cccc(Br)c2)c2c(N)ncnc2n1 Show InChI InChI=1S/C23H21BrN6O/c1-31-20-6-3-9-30(20)19-8-7-15(12-26-19)18-11-17(14-4-2-5-16(24)10-14)21-22(25)27-13-28-23(21)29-18/h2,4-5,7-8,10-13,20H,3,6,9H2,1H3,(H2,25,27,28,29)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro concentration required for 50% inhibition against Adenosine Kinase (AK) in the presence of enzyme				Bioorg Med Chem Lett 11: 2071-4 (2001) BindingDB Entry DOI: 10.7270/Q2CN735Q
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50102923 (5-(3-Bromo-phenyl)-7-[6-(methyl-pyridin-3-ylmethyl...) Show SMILES CN(Cc1cccnc1)c1ccc(cn1)-c1cc(-c2cccc(Br)c2)c2c(N)ncnc2n1 Show InChI InChI=1S/C25H20BrN7/c1-33(14-16-4-3-9-28-12-16)22-8-7-18(13-29-22)21-11-20(17-5-2-6-19(26)10-17)23-24(27)30-15-31-25(23)32-21/h2-13,15H,14H2,1H3,(H2,27,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro concentration required for 50% inhibition against Adenosine Kinase (AK) in the presence of enzyme				Bioorg Med Chem Lett 11: 2071-4 (2001) BindingDB Entry DOI: 10.7270/Q2CN735Q
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50102929 (5-(3-Bromo-phenyl)-7-[6-((R)-2-methoxy-pyrrolidin-...) Show SMILES CO[C@@H]1CCCN1c1ccc(cn1)-c1cc(-c2cccc(Br)c2)c2c(N)ncnc2n1 Show InChI InChI=1S/C23H21BrN6O/c1-31-20-6-3-9-30(20)19-8-7-15(12-26-19)18-11-17(14-4-2-5-16(24)10-14)21-22(25)27-13-28-23(21)29-18/h2,4-5,7-8,10-13,20H,3,6,9H2,1H3,(H2,25,27,28,29)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.12	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro concentration required for 50% inhibition against Adenosine Kinase (AK) in the presence of enzyme				Bioorg Med Chem Lett 11: 2071-4 (2001) BindingDB Entry DOI: 10.7270/Q2CN735Q
					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	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR1 expressed in 1321N1 cells				Bioorg Med Chem Lett 16: 4936-40 (2006) Article DOI: 10.1016/j.bmcl.2006.06.053 BindingDB Entry DOI: 10.7270/Q2C24W2W
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50177085 (3-Cyclopentyl-9-dimethylamino-3H-pyrido[3',2':4,5]...) Show SMILES CN(C)c1ccnc2sc3c(ncn(C4CCCC4)c3=O)c12 Show InChI InChI=1S/C16H18N4OS/c1-19(2)11-7-8-17-15-12(11)13-14(22-15)16(21)20(9-18-13)10-5-3-4-6-10/h7-10H,3-6H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human mGluR1 expressed in 1321N1 cells assessed as effect on L-glutamate-induced calcium mobilization				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 (Homo sapiens (Human))	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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human mGluR1 expressed in 1321N1 cells assessed as effect on L-glutamate-induced calcium mobilization				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
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50133817 (4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...) Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1 Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)	PDB MMDB Reactome pathway 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	5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human recombinant TRPV1 expressed in human 1321N1 cells assessed as inhibition of capsaicin-induced calcium influx by FLIPR as...				Bioorg Med Chem 16: 8516-25 (2008) Article DOI: 10.1016/j.bmc.2008.08.005 BindingDB Entry DOI: 10.7270/Q2FX798X
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50264620 (CHEMBL518979 | N-(4-tert-Butylphenyl)-1-(3-(triflu...) Show SMILES CC(C)(C)c1ccc(NC(=O)C2=CCN(CC2)c2ncccc2C(F)(F)F)cc1 |t:11| Show InChI InChI=1S/C22H24F3N3O/c1-21(2,3)16-6-8-17(9-7-16)27-20(29)15-10-13-28(14-11-15)19-18(22(23,24)25)5-4-12-26-19/h4-10,12H,11,13-14H2,1-3H3,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human recombinant TRPV1 expressed in human 1321N1 cells assessed as inhibition of capsaicin-induced calcium influx by FLIPR as...				Bioorg Med Chem 16: 8516-25 (2008) Article DOI: 10.1016/j.bmc.2008.08.005 BindingDB Entry DOI: 10.7270/Q2FX798X
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50132273 (1-{5-[4-Amino-5-(3-bromo-phenyl)-pyrido[2,3-d]pyri...) Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1C[C@H](O)[C@H](O)C1 Show InChI InChI=1S/C22H19BrN6O2/c23-14-3-1-2-12(6-14)15-7-16(28-22-20(15)21(24)26-11-27-22)13-4-5-19(25-8-13)29-9-17(30)18(31)10-29/h1-8,11,17-18,30-31H,9-10H2,(H2,24,26,27,28)/t17-,18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against adenosine kinase was determined				Bioorg Med Chem Lett 13: 3041-4 (2003) BindingDB Entry DOI: 10.7270/Q2JH3KJ3
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50132275 (1-{6-[4-Amino-5-(3-bromo-phenyl)-pyrido[2,3-d]pyri...) Show SMILES [#7]-c1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nn1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]\[#8]-[#6]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1 Show InChI InChI=1S/C27H27BrN8O2/c28-18-3-1-2-17(14-18)21-15-23(32-27-25(21)26(29)30-16-31-27)22-4-5-24(34-33-22)36-10-6-19(7-11-36)35-38-20-8-12-37-13-9-20/h1-5,14-16,20H,6-13H2,(H2,29,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against adenosine kinase was determined				Bioorg Med Chem Lett 13: 3041-4 (2003) BindingDB Entry DOI: 10.7270/Q2JH3KJ3
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50132279 (5-(3-Bromo-phenyl)-7-[6-(3,4-diethoxy-pyrrolidin-1...) Show SMILES CCO[C@@H]1CN(C[C@@H]1OCC)c1ccc(nn1)-c1cc(-c2cccc(Br)c2)c2c(N)ncnc2n1 Show InChI InChI=1S/C25H26BrN7O2/c1-3-34-20-12-33(13-21(20)35-4-2)22-9-8-18(31-32-22)19-11-17(15-6-5-7-16(26)10-15)23-24(27)28-14-29-25(23)30-19/h5-11,14,20-21H,3-4,12-13H2,1-2H3,(H2,27,28,29,30)/t20-,21+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against adenosine kinase was determined				Bioorg Med Chem Lett 13: 3041-4 (2003) BindingDB Entry DOI: 10.7270/Q2JH3KJ3
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50132272 (5-(3-Bromo-phenyl)-7-[6-(2-oxa-5-aza-bicyclo[2.2.1...) Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CC2CC1CO2 Show InChI InChI=1S/C23H19BrN6O/c24-15-3-1-2-13(6-15)18-8-19(29-23-21(18)22(25)27-12-28-23)14-4-5-20(26-9-14)30-10-17-7-16(30)11-31-17/h1-6,8-9,12,16-17H,7,10-11H2,(H2,25,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against adenosine kinase was determined				Bioorg Med Chem Lett 13: 3041-4 (2003) BindingDB Entry DOI: 10.7270/Q2JH3KJ3
					More data for this Ligand-Target Pair

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