Compile Data Set for Download or QSAR

Found 142 hits with Last Name = 'nishimura' and Initial = 'k'   

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
Amine oxidase [flavin-containing] B (Bos taurus)	BDBM50036731 (3-Dimethylamino-1-phenyl-propan-1-one | CHEMBL5011...) Show SMILES CN(C)CCC(=O)c1ccccc1 Show InChI InChI=1S/C11H15NO/c1-12(2)9-8-11(13)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	3.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of Monoamine oxidase-B from Bovine liver				J Med Chem 36: 1711-5 (1993) BindingDB Entry DOI: 10.7270/Q2DN443D
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Bos taurus)	BDBM50047897 (CHEMBL289199 | Dimethyl-(3-phenyl-propyl)-amine) Show SMILES CN(C)CCCc1ccccc1 Show InChI InChI=1S/C11H17N/c1-12(2)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of Monoamine oxidase-B from Bovine liver				J Med Chem 36: 1711-5 (1993) BindingDB Entry DOI: 10.7270/Q2DN443D
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Bos taurus)	BDBM50046768 (2-Pentylamino-acetamide | 2-Pentylamino-acetamide(...) Show SMILES CCCCCNCC(N)=O Show InChI InChI=1S/C7H16N2O/c1-2-3-4-5-9-6-7(8)10/h9H,2-6H2,1H3,(H2,8,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	9.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Kinetic constant (KI) was calculated by inhibition of monoamino oxidase B (MAO B)				J Med Chem 36: 446-8 (1993) BindingDB Entry DOI: 10.7270/Q24B30CC
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Bos taurus)	BDBM50046768 (2-Pentylamino-acetamide | 2-Pentylamino-acetamide(...) Show SMILES CCCCCNCC(N)=O Show InChI InChI=1S/C7H16N2O/c1-2-3-4-5-9-6-7(8)10/h9H,2-6H2,1H3,(H2,8,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	1.08E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Kinetic constant was calculated by inhibition of monoamino oxidase B (MAO B)				J Med Chem 36: 446-8 (1993) BindingDB Entry DOI: 10.7270/Q24B30CC
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Bos taurus)	BDBM50046767 (CHEMBL344189 | Pentylamino-acetic acid ethyl ester) Show SMILES CCCCCNCC(=O)OCC Show InChI InChI=1S/C9H19NO2/c1-3-5-6-7-10-8-9(11)12-4-2/h10H,3-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Kinetic constant was calculated by inhibition of monoamino oxidase B (MAO B)				J Med Chem 36: 446-8 (1993) BindingDB Entry DOI: 10.7270/Q24B30CC
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Bos taurus)	BDBM50047898 (CHEMBL47794 | Dimethyl-pentyl-amine) Show SMILES CCCCCN(C)C Show InChI InChI=1S/C7H17N/c1-4-5-6-7-8(2)3/h4-7H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.10E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of Monoamine oxidase-B from Bovine liver				J Med Chem 36: 1711-5 (1993) BindingDB Entry DOI: 10.7270/Q2DN443D
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Bos taurus)	BDBM50047896 (CHEMBL46232 | Phenethyl-propyl-amine) Show SMILES CCCNCCc1ccccc1 Show InChI InChI=1S/C11H17N/c1-2-9-12-10-8-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of Monoamine oxidase-B from Bovine liver				J Med Chem 36: 1711-5 (1993) BindingDB Entry DOI: 10.7270/Q2DN443D
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Bos taurus)	BDBM50046766 (CHEMBL139751 | Pentylamino-acetonitrile) Show SMILES CCCCCNCC#N Show InChI InChI=1S/C7H14N2/c1-2-3-4-6-9-7-5-8/h9H,2-4,6-7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	4.94E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Kinetic constant was calculated by inhibition of monoamino oxidase B (MAO B)				J Med Chem 36: 446-8 (1993) BindingDB Entry DOI: 10.7270/Q24B30CC
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Bos taurus)	BDBM50046769 (3-Pentylamino-propionitrile | CHEMBL139492) Show SMILES CCCCCNCCC#N Show InChI InChI=1S/C8H16N2/c1-2-3-4-7-10-8-5-6-9/h10H,2-5,7-8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	4.94E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Kinetic constant was calculated by inhibition of monoamino oxidase B (MAO B)				J Med Chem 36: 446-8 (1993) BindingDB Entry DOI: 10.7270/Q24B30CC
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Bos taurus)	BDBM50046769 (3-Pentylamino-propionitrile | CHEMBL139492) Show SMILES CCCCCNCCC#N Show InChI InChI=1S/C8H16N2/c1-2-3-4-7-10-8-5-6-9/h10H,2-5,7-8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	5.79E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Kinetic constant (KI) was calculated by inhibition of monoamino oxidase B (MAO B)				J Med Chem 36: 446-8 (1993) BindingDB Entry DOI: 10.7270/Q24B30CC
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Bos taurus)	BDBM50018453 (CHEMBL46278 | Dimethyl-phenethyl-amine | N,N-dimet...) Show SMILES CN(C)CCc1ccccc1 Show InChI InChI=1S/C10H15N/c1-11(2)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.10E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of Monoamine oxidase-B from Bovine liver				J Med Chem 36: 1711-5 (1993) BindingDB Entry DOI: 10.7270/Q2DN443D
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Bos taurus)	BDBM50016907 (CHEMBL46841 | Dimethyl-(4-phenyl-butyl)-amine) Show SMILES CN(C)CCCCc1ccccc1 Show InChI InChI=1S/C12H19N/c1-13(2)11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of Monoamine oxidase-B from Bovine liver				J Med Chem 36: 1711-5 (1993) BindingDB Entry DOI: 10.7270/Q2DN443D
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Bos taurus)	BDBM50046766 (CHEMBL139751 | Pentylamino-acetonitrile) Show SMILES CCCCCNCC#N Show InChI InChI=1S/C7H14N2/c1-2-3-4-6-9-7-5-8/h9H,2-4,6-7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.40E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Kinetic constant (KI) was calculated by inhibition of monoamino oxidase B (MAO B)				J Med Chem 36: 446-8 (1993) BindingDB Entry DOI: 10.7270/Q24B30CC
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Bos taurus)	BDBM50046767 (CHEMBL344189 | Pentylamino-acetic acid ethyl ester) Show SMILES CCCCCNCC(=O)OCC Show InChI InChI=1S/C9H19NO2/c1-3-5-6-7-10-8-9(11)12-4-2/h10H,3-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	1.42E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Kinetic constant (KI) was calculated by inhibition of monoamino oxidase B (MAO B)				J Med Chem 36: 446-8 (1993) BindingDB Entry DOI: 10.7270/Q24B30CC
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50287290 (CHEMBL34866 | KRH-594 | Potassium; 2-[5-ethyl-3-[2...) Show SMILES CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(=NC(=O)C2=C(CCC2)C([O-])=O)s1 |w:24.27,t:30| Show InChI InChI=1S/C25H23N7O3S/c1-2-21-29-32(25(36-21)26-23(33)19-8-5-9-20(19)24(34)35)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-27-30-31-28-22/h3-4,6-7,10-13H,2,5,8-9,14H2,1H3,(H,34,35)(H,27,28,30,31)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for the ability to displace the specific binding of [125I]-A II from receptors in rat liver membrane(type 1 receptor)				Bioorg Med Chem Lett 6: 1469-1474 (1996) Article DOI: 10.1016/S0960-894X(96)00250-8 BindingDB Entry DOI: 10.7270/Q2SN08XQ
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50287294 (2-[5-Ethyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylm...) Show SMILES CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(=NC(=O)C2=C(CCC2)C(O)=O)s1 |w:24.27,t:30| Show InChI InChI=1S/C25H23N7O3S/c1-2-21-29-32(25(36-21)26-23(33)19-8-5-9-20(19)24(34)35)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-27-30-31-28-22/h3-4,6-7,10-13H,2,5,8-9,14H2,1H3,(H,34,35)(H,27,28,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for the ability to displace the specific binding of [125I]-A II from receptors in rat liver membrane(type 1 receptor)				Bioorg Med Chem Lett 6: 1469-1474 (1996) Article DOI: 10.1016/S0960-894X(96)00250-8 BindingDB Entry DOI: 10.7270/Q2SN08XQ
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50287291 (CHEMBL35381 | N-[5-Ethyl-3-[2'-(1H-tetrazol-5-yl)-...) Show SMILES CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(=NC(=O)c2ccccc2C(O)=O)s1 |w:24.27| Show InChI InChI=1S/C26H21N7O3S/c1-2-22-30-33(26(37-22)27-24(34)20-9-5-6-10-21(20)25(35)36)15-16-11-13-17(14-12-16)18-7-3-4-8-19(18)23-28-31-32-29-23/h3-14H,2,15H2,1H3,(H,35,36)(H,28,29,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for the ability to displace the specific binding of [125I]-A II from receptors in rat liver membrane(type 1 receptor)				Bioorg Med Chem Lett 6: 1469-1474 (1996) Article DOI: 10.1016/S0960-894X(96)00250-8 BindingDB Entry DOI: 10.7270/Q2SN08XQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50107587 (CHEMBL3601910) Show SMILES Cc1ccc(Nc2ncc(cc2Cl)[C@@H](CC=C)NC(=O)c2nccs2)cn1 |r| Show InChI InChI=1S/C19H18ClN5OS/c1-3-4-16(25-18(26)19-21-7-8-27-19)13-9-15(20)17(23-10-13)24-14-6-5-12(2)22-11-14/h3,5-11,16H,1,4H2,2H3,(H,23,24)(H,25,26)/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...				Bioorg Med Chem Lett 25: 3135-41 (2015) Article DOI: 10.1016/j.bmcl.2015.06.008 BindingDB Entry DOI: 10.7270/Q2DZ0B3G
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50287289 (2-Chloro-N-[5-ethyl-3-[2'-(1H-tetrazol-5-yl)-biphe...) Show SMILES CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(=NC(=O)c2ccccc2Cl)s1 |w:24.27| Show InChI InChI=1S/C25H20ClN7OS/c1-2-22-30-33(25(35-22)27-24(34)20-9-5-6-10-21(20)26)15-16-11-13-17(14-12-16)18-7-3-4-8-19(18)23-28-31-32-29-23/h3-14H,2,15H2,1H3,(H,28,29,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for the ability to displace the specific binding of [125I]-A II from receptors in rat liver membrane(type 1 receptor)				Bioorg Med Chem Lett 6: 1469-1474 (1996) Article DOI: 10.1016/S0960-894X(96)00250-8 BindingDB Entry DOI: 10.7270/Q2SN08XQ
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50287292 (CHEMBL34190 | Cyclopropanecarboxylic acid [5-ethyl...) Show SMILES CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(=NC(=O)C2CC2)s1 |w:24.27| Show InChI InChI=1S/C22H21N7OS/c1-2-19-26-29(22(31-19)23-21(30)16-11-12-16)13-14-7-9-15(10-8-14)17-5-3-4-6-18(17)20-24-27-28-25-20/h3-10,16H,2,11-13H2,1H3,(H,24,25,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for the ability to displace the specific binding of [125I]-A II from receptors in rat liver membrane(type 1 receptor)				Bioorg Med Chem Lett 6: 1469-1474 (1996) Article DOI: 10.1016/S0960-894X(96)00250-8 BindingDB Entry DOI: 10.7270/Q2SN08XQ
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50287295 (CHEMBL35475 | N-[5-Ethyl-3-[2'-(1H-tetrazol-5-yl)-...) Show SMILES CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(=NC(C)=O)s1 |w:24.27| Show InChI InChI=1S/C20H19N7OS/c1-3-18-24-27(20(29-18)21-13(2)28)12-14-8-10-15(11-9-14)16-6-4-5-7-17(16)19-22-25-26-23-19/h4-11H,3,12H2,1-2H3,(H,22,23,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for the ability to displace the specific binding of [125I]-A II from receptors in rat liver membrane(type 1 receptor)				Bioorg Med Chem Lett 6: 1469-1474 (1996) Article DOI: 10.1016/S0960-894X(96)00250-8 BindingDB Entry DOI: 10.7270/Q2SN08XQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50107535 (CHEMBL3601902) Show SMILES CC(C)[C@@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r| Show InChI InChI=1S/C19H20ClN5OS/c1-11(2)16(25-18(26)19-21-6-7-27-19)13-8-15(20)17(23-9-13)24-14-5-4-12(3)22-10-14/h4-11,16H,1-3H3,(H,23,24)(H,25,26)/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...				Bioorg Med Chem Lett 25: 3135-41 (2015) Article DOI: 10.1016/j.bmcl.2015.06.008 BindingDB Entry DOI: 10.7270/Q2DZ0B3G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50107532 (CHEMBL3601900) Show SMILES CCC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r| Show InChI InChI=1S/C19H20ClN5OS/c1-3-4-16(25-18(26)19-21-7-8-27-19)13-9-15(20)17(23-10-13)24-14-6-5-12(2)22-11-14/h5-11,16H,3-4H2,1-2H3,(H,23,24)(H,25,26)/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...				Bioorg Med Chem Lett 25: 3135-41 (2015) Article DOI: 10.1016/j.bmcl.2015.06.008 BindingDB Entry DOI: 10.7270/Q2DZ0B3G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50107588 (CHEMBL3601911) Show SMILES C\C=C\C[C@@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r| Show InChI InChI=1S/C20H20ClN5OS/c1-3-4-5-17(26-19(27)20-22-8-9-28-20)14-10-16(21)18(24-11-14)25-15-7-6-13(2)23-12-15/h3-4,6-12,17H,5H2,1-2H3,(H,24,25)(H,26,27)/b4-3+/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...				Bioorg Med Chem Lett 25: 3135-41 (2015) Article DOI: 10.1016/j.bmcl.2015.06.008 BindingDB Entry DOI: 10.7270/Q2DZ0B3G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50107539 (CHEMBL3601906) Show SMILES Cc1ccc(Nc2ncc(cc2Cl)[C@H](NC(=O)c2nccs2)C2CCC2)cn1 |r| Show InChI InChI=1S/C20H20ClN5OS/c1-12-5-6-15(11-23-12)25-18-16(21)9-14(10-24-18)17(13-3-2-4-13)26-19(27)20-22-7-8-28-20/h5-11,13,17H,2-4H2,1H3,(H,24,25)(H,26,27)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...				Bioorg Med Chem Lett 25: 3135-41 (2015) Article DOI: 10.1016/j.bmcl.2015.06.008 BindingDB Entry DOI: 10.7270/Q2DZ0B3G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50107538 (CHEMBL3601905) Show SMILES Cc1ccc(Nc2ncc(cc2Cl)[C@H](NC(=O)c2nccs2)C2CC2)cn1 |r| Show InChI InChI=1S/C19H18ClN5OS/c1-11-2-5-14(10-22-11)24-17-15(20)8-13(9-23-17)16(12-3-4-12)25-18(26)19-21-6-7-27-19/h2,5-10,12,16H,3-4H2,1H3,(H,23,24)(H,25,26)/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...				Bioorg Med Chem Lett 25: 3135-41 (2015) Article DOI: 10.1016/j.bmcl.2015.06.008 BindingDB Entry DOI: 10.7270/Q2DZ0B3G
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50406795 (Cozaar | LOSARTAN POTASSIUM) Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[n-]n1 Show InChI InChI=1S/C22H22ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3/q-1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for the ability to displace the specific binding of [125I]-A II from receptors in rat liver membrane(type 1 receptor)				Bioorg Med Chem Lett 6: 1469-1474 (1996) Article DOI: 10.1016/S0960-894X(96)00250-8 BindingDB Entry DOI: 10.7270/Q2SN08XQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50107424 (CHEMBL3600421) Show SMILES CCC[C@@H](NC(=O)c1nc(C)cs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r| Show InChI InChI=1S/C20H22ClN5OS/c1-4-5-17(26-19(27)20-24-13(3)11-28-20)14-8-16(21)18(23-9-14)25-15-7-6-12(2)22-10-15/h6-11,17H,4-5H2,1-3H3,(H,23,25)(H,26,27)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...				Bioorg Med Chem Lett 25: 3135-41 (2015) Article DOI: 10.1016/j.bmcl.2015.06.008 BindingDB Entry DOI: 10.7270/Q2DZ0B3G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50107429 (CHEMBL3600427) Show SMILES CCC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(F)nc2)c(Cl)c1 |r| Show InChI InChI=1S/C18H17ClFN5OS/c1-2-3-14(25-17(26)18-21-6-7-27-18)11-8-13(19)16(23-9-11)24-12-4-5-15(20)22-10-12/h4-10,14H,2-3H2,1H3,(H,23,24)(H,25,26)/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...				Bioorg Med Chem Lett 25: 3135-41 (2015) Article DOI: 10.1016/j.bmcl.2015.06.008 BindingDB Entry DOI: 10.7270/Q2DZ0B3G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50107428 (CHEMBL3600426) Show SMILES CCC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(OC)nc2)c(Cl)c1 |r| Show InChI InChI=1S/C19H20ClN5O2S/c1-3-4-15(25-18(26)19-21-7-8-28-19)12-9-14(20)17(23-10-12)24-13-5-6-16(27-2)22-11-13/h5-11,15H,3-4H2,1-2H3,(H,23,24)(H,25,26)/t15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...				Bioorg Med Chem Lett 25: 3135-41 (2015) Article DOI: 10.1016/j.bmcl.2015.06.008 BindingDB Entry DOI: 10.7270/Q2DZ0B3G
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2 (Homo sapiens (Human))	BDBM50023929 (CHEMBL3325502) Show SMILES CN(C)CCCN1CCC(CC1)NC(=O)c1ccc(COc2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C25H32F3N3O2/c1-30(2)14-3-15-31-16-12-22(13-17-31)29-24(32)20-6-4-19(5-7-20)18-33-23-10-8-21(9-11-23)25(26,27)28/h4-11,22H,3,12-18H2,1-2H3,(H,29,32)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Inhibition of human GlyT2 transfected in HEK293 cells assessed as [3H]glycine uptake after 2 hrs				Bioorg Med Chem Lett 24: 4603-6 (2014) Article DOI: 10.1016/j.bmcl.2014.06.059 BindingDB Entry DOI: 10.7270/Q2K64KN1
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50107452 (CHEMBL3601898) Show SMILES CC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r| Show InChI InChI=1S/C18H18ClN5OS/c1-3-15(24-17(25)18-20-6-7-26-18)12-8-14(19)16(22-9-12)23-13-5-4-11(2)21-10-13/h4-10,15H,3H2,1-2H3,(H,22,23)(H,24,25)/t15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...				Bioorg Med Chem Lett 25: 3135-41 (2015) Article DOI: 10.1016/j.bmcl.2015.06.008 BindingDB Entry DOI: 10.7270/Q2DZ0B3G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50107585 (CHEMBL3601908) Show SMILES Cc1ccc(Nc2ncc(cc2Cl)[C@H](NC(=O)c2nccs2)C2CCCC2)cn1 |r| Show InChI InChI=1S/C21H22ClN5OS/c1-13-6-7-16(12-24-13)26-19-17(22)10-15(11-25-19)18(14-4-2-3-5-14)27-20(28)21-23-8-9-29-21/h6-12,14,18H,2-5H2,1H3,(H,25,26)(H,27,28)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Toray Industries, Inc. Curated by ChEMBL					Assay Description Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...				Bioorg Med Chem Lett 25: 3135-41 (2015) Article DOI: 10.1016/j.bmcl.2015.06.008 BindingDB Entry DOI: 10.7270/Q2DZ0B3G
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor alpha 5 subunit (Musca domestica)	BDBM50212288 ((2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimida...) Show SMILES [O-][N+](=O)NC1=NCCN1Cc1ccc(Cl)nc1 |t:4| Show InChI InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)	MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Displacement of [3HIMI from nicotinic acetylcholine receptor in Musca domestica (house fly) head membranes incubated for 60 min by liquid scintillati...				Biosci Biotechnol Biochem 67: 980-8 (2003) Article DOI: 10.1271/bbb.67.980 BindingDB Entry DOI: 10.7270/Q2KS6VGQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50107426 (CHEMBL3600424) Show SMILES CCC[C@@H](NC(=O)c1cocn1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r| Show InChI InChI=1S/C19H20ClN5O2/c1-3-4-16(25-19(26)17-10-27-11-23-17)13-7-15(20)18(22-8-13)24-14-6-5-12(2)21-9-14/h5-11,16H,3-4H2,1-2H3,(H,22,24)(H,25,26)/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...				Bioorg Med Chem Lett 25: 3135-41 (2015) Article DOI: 10.1016/j.bmcl.2015.06.008 BindingDB Entry DOI: 10.7270/Q2DZ0B3G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50107422 (CHEMBL3601915) Show SMILES CCC[C@@H](NC(=O)c1ccccn1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r| Show InChI InChI=1S/C21H22ClN5O/c1-3-6-18(27-21(28)19-7-4-5-10-23-19)15-11-17(22)20(25-12-15)26-16-9-8-14(2)24-13-16/h4-5,7-13,18H,3,6H2,1-2H3,(H,25,26)(H,27,28)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...				Bioorg Med Chem Lett 25: 3135-41 (2015) Article DOI: 10.1016/j.bmcl.2015.06.008 BindingDB Entry DOI: 10.7270/Q2DZ0B3G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50107435 (CHEMBL3600433) Show SMILES CCCC(NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 Show InChI InChI=1S/C19H20ClN5OS/c1-3-4-16(25-18(26)19-21-7-8-27-19)13-9-15(20)17(23-10-13)24-14-6-5-12(2)22-11-14/h5-11,16H,3-4H2,1-2H3,(H,23,24)(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...				Bioorg Med Chem Lett 25: 3135-41 (2015) Article DOI: 10.1016/j.bmcl.2015.06.008 BindingDB Entry DOI: 10.7270/Q2DZ0B3G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50107423 (CHEMBL3600420) Show SMILES CCC[C@@H](NC(=O)c1cscn1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r| Show InChI InChI=1S/C19H20ClN5OS/c1-3-4-16(25-19(26)17-10-27-11-23-17)13-7-15(20)18(22-8-13)24-14-6-5-12(2)21-9-14/h5-11,16H,3-4H2,1-2H3,(H,22,24)(H,25,26)/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...				Bioorg Med Chem Lett 25: 3135-41 (2015) Article DOI: 10.1016/j.bmcl.2015.06.008 BindingDB Entry DOI: 10.7270/Q2DZ0B3G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50107534 (CHEMBL3601901) Show SMILES CCCC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r| Show InChI InChI=1S/C20H22ClN5OS/c1-3-4-5-17(26-19(27)20-22-8-9-28-20)14-10-16(21)18(24-11-14)25-15-7-6-13(2)23-12-15/h6-12,17H,3-5H2,1-2H3,(H,24,25)(H,26,27)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...				Bioorg Med Chem Lett 25: 3135-41 (2015) Article DOI: 10.1016/j.bmcl.2015.06.008 BindingDB Entry DOI: 10.7270/Q2DZ0B3G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50107537 (CHEMBL3601904) Show SMILES Cc1ccc(Nc2ncc(cc2Cl)[C@H](NC(=O)c2nccs2)C(C)(C)C)cn1 |r| Show InChI InChI=1S/C20H22ClN5OS/c1-12-5-6-14(11-23-12)25-17-15(21)9-13(10-24-17)16(20(2,3)4)26-18(27)19-22-7-8-28-19/h5-11,16H,1-4H3,(H,24,25)(H,26,27)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...				Bioorg Med Chem Lett 25: 3135-41 (2015) Article DOI: 10.1016/j.bmcl.2015.06.008 BindingDB Entry DOI: 10.7270/Q2DZ0B3G
					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	32	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...				Bioorg Med Chem Lett 25: 3135-41 (2015) Article DOI: 10.1016/j.bmcl.2015.06.008 BindingDB Entry DOI: 10.7270/Q2DZ0B3G
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50287293 (CHEMBL286537 | N-[5-Ethyl-3-[2'-(1H-tetrazol-5-yl)...) Show SMILES CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(=NC(=O)c2ccccc2)s1 |w:24.27| Show InChI InChI=1S/C25H21N7OS/c1-2-22-29-32(25(34-22)26-24(33)19-8-4-3-5-9-19)16-17-12-14-18(15-13-17)20-10-6-7-11-21(20)23-27-30-31-28-23/h3-15H,2,16H2,1H3,(H,27,28,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for the ability to displace the specific binding of [125I]-A II from receptors in rat liver membrane(type 1 receptor)				Bioorg Med Chem Lett 6: 1469-1474 (1996) Article DOI: 10.1016/S0960-894X(96)00250-8 BindingDB Entry DOI: 10.7270/Q2SN08XQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50107586 (CHEMBL3601909) Show SMILES Cc1ccc(Nc2ncc(cc2Cl)[C@H](NC(=O)c2nccs2)C2CCCCC2)cn1 |r| Show InChI InChI=1S/C22H24ClN5OS/c1-14-7-8-17(13-25-14)27-20-18(23)11-16(12-26-20)19(15-5-3-2-4-6-15)28-21(29)22-24-9-10-30-22/h7-13,15,19H,2-6H2,1H3,(H,26,27)(H,28,29)/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...				Bioorg Med Chem Lett 25: 3135-41 (2015) Article DOI: 10.1016/j.bmcl.2015.06.008 BindingDB Entry DOI: 10.7270/Q2DZ0B3G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50107425 (CHEMBL3600423) Show SMILES CCC[C@@H](NC(=O)c1ncco1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r| Show InChI InChI=1S/C19H20ClN5O2/c1-3-4-16(25-18(26)19-21-7-8-27-19)13-9-15(20)17(23-10-13)24-14-6-5-12(2)22-11-14/h5-11,16H,3-4H2,1-2H3,(H,23,24)(H,25,26)/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...				Bioorg Med Chem Lett 25: 3135-41 (2015) Article DOI: 10.1016/j.bmcl.2015.06.008 BindingDB Entry DOI: 10.7270/Q2DZ0B3G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50107431 (CHEMBL3600430) Show SMILES CCC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2cnc(C)nc2)c(Cl)c1 |r| Show InChI InChI=1S/C18H19ClN6OS/c1-3-4-15(25-17(26)18-20-5-6-27-18)12-7-14(19)16(23-8-12)24-13-9-21-11(2)22-10-13/h5-10,15H,3-4H2,1-2H3,(H,23,24)(H,25,26)/t15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...				Bioorg Med Chem Lett 25: 3135-41 (2015) Article DOI: 10.1016/j.bmcl.2015.06.008 BindingDB Entry DOI: 10.7270/Q2DZ0B3G
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2 (Homo sapiens (Human))	BDBM50023797 (CHEMBL3325511) Show SMILES FC(F)(F)c1ccc(OCc2ccc(cc2)C(=O)NC2CCN(Cc3cccnc3)CC2)cc1 Show InChI InChI=1S/C26H26F3N3O2/c27-26(28,29)22-7-9-24(10-8-22)34-18-19-3-5-21(6-4-19)25(33)31-23-11-14-32(15-12-23)17-20-2-1-13-30-16-20/h1-10,13,16,23H,11-12,14-15,17-18H2,(H,31,33)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Inhibition of human GlyT2 transfected in HEK293 cells assessed as [3H]glycine uptake after 2 hrs				Bioorg Med Chem Lett 24: 4603-6 (2014) Article DOI: 10.1016/j.bmcl.2014.06.059 BindingDB Entry DOI: 10.7270/Q2K64KN1
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50107421 (CHEMBL3601913) Show SMILES COC[C@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r| Show InChI InChI=1S/C18H18ClN5O2S/c1-11-3-4-13(9-21-11)23-16-14(19)7-12(8-22-16)15(10-26-2)24-17(25)18-20-5-6-27-18/h3-9,15H,10H2,1-2H3,(H,22,23)(H,24,25)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...				Bioorg Med Chem Lett 25: 3135-41 (2015) Article DOI: 10.1016/j.bmcl.2015.06.008 BindingDB Entry DOI: 10.7270/Q2DZ0B3G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50107395 (CHEMBL3601912) Show SMILES Cc1ccc(Nc2ncc(cc2Cl)[C@@H](Cc2ccccc2)NC(=O)c2nccs2)cn1 |r| Show InChI InChI=1S/C23H20ClN5OS/c1-15-7-8-18(14-26-15)28-21-19(24)12-17(13-27-21)20(11-16-5-3-2-4-6-16)29-22(30)23-25-9-10-31-23/h2-10,12-14,20H,11H2,1H3,(H,27,28)(H,29,30)/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...				Bioorg Med Chem Lett 25: 3135-41 (2015) Article DOI: 10.1016/j.bmcl.2015.06.008 BindingDB Entry DOI: 10.7270/Q2DZ0B3G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50107430 (CHEMBL3600429) Show SMILES CCC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2cnc(C)s2)c(Cl)c1 |r| Show InChI InChI=1S/C17H18ClN5OS2/c1-3-4-13(22-16(24)17-19-5-6-25-17)11-7-12(18)15(21-8-11)23-14-9-20-10(2)26-14/h5-9,13H,3-4H2,1-2H3,(H,21,23)(H,22,24)/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...				Bioorg Med Chem Lett 25: 3135-41 (2015) Article DOI: 10.1016/j.bmcl.2015.06.008 BindingDB Entry DOI: 10.7270/Q2DZ0B3G
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2 (Homo sapiens (Human))	BDBM50023926 (CHEMBL3325505) Show SMILES FC(F)(F)c1ccc(OCc2ccc(cc2)C(=O)NC2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C27H27F3N2O2/c28-27(29,30)23-10-12-25(13-11-23)34-19-21-6-8-22(9-7-21)26(33)31-24-14-16-32(17-15-24)18-20-4-2-1-3-5-20/h1-13,24H,14-19H2,(H,31,33)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Inhibition of human GlyT2 transfected in HEK293 cells assessed as [3H]glycine uptake after 2 hrs				Bioorg Med Chem Lett 24: 4603-6 (2014) Article DOI: 10.1016/j.bmcl.2014.06.059 BindingDB Entry DOI: 10.7270/Q2K64KN1
					More data for this Ligand-Target Pair

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