Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50015274   

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 2 (Homo sapiens (Human))	BDBM50153741 (1-(2-Hydroxy-3-propyl-4-{4-[4-(2H-tetrazol-5-yl)-p...) Show SMILES CCCc1c(OCCCC(C)Oc2ccc(cc2)-c2nnn[nH]2)ccc(C(C)=O)c1O Show InChI InChI=1S/C23H28N4O4/c1-4-6-20-21(13-12-19(16(3)28)22(20)29)30-14-5-7-15(2)31-18-10-8-17(9-11-18)23-24-26-27-25-23/h8-13,15,29H,4-7,14H2,1-3H3,(H,24,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	495	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration for binding to human metabotropic glutamate receptor 2 as determined by GTPgammaS assay				Bioorg Med Chem Lett 14: 5329-32 (2004) Article DOI: 10.1016/j.bmcl.2004.08.020 BindingDB Entry DOI: 10.7270/Q21Z43W0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50153757 (1-(2-Hydroxy-3-propyl-4-{4-[4-(1H-tetrazol-5-yl)-p...) Show SMILES CCCc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc(C(C)=O)c1O Show InChI InChI=1S/C22H26N4O4/c1-3-6-19-20(12-11-18(15(2)27)21(19)28)30-14-5-4-13-29-17-9-7-16(8-10-17)22-23-25-26-24-22/h7-12,28H,3-6,13-14H2,1-2H3,(H,23,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	348	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration for binding to human metabotropic glutamate receptor 2 as determined by GTPgammaS assay				Bioorg Med Chem Lett 14: 5329-32 (2004) Article DOI: 10.1016/j.bmcl.2004.08.020 BindingDB Entry DOI: 10.7270/Q21Z43W0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50153742 (1-[2-Hydroxy-4-(4-{methyl-[4-(2H-tetrazol-5-yl)-ph...) Show SMILES CCCc1c(OCCCCN(C)c2ccc(cc2)-c2nnn[nH]2)ccc(C(C)=O)c1O Show InChI InChI=1S/C23H29N5O3/c1-4-7-20-21(13-12-19(16(2)29)22(20)30)31-15-6-5-14-28(3)18-10-8-17(9-11-18)23-24-26-27-25-23/h8-13,30H,4-7,14-15H2,1-3H3,(H,24,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.01E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration for binding to human metabotropic glutamate receptor 2 as determined by GTPgammaS assay				Bioorg Med Chem Lett 14: 5329-32 (2004) Article DOI: 10.1016/j.bmcl.2004.08.020 BindingDB Entry DOI: 10.7270/Q21Z43W0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50153743 (1-(2-Hydroxy-3-methyl-4-{4-[4-(2H-tetrazol-5-yl)-p...) Show SMILES CCC(=O)c1ccc(OCCCCOc2ccc(cc2)-c2nnn[nH]2)c(C)c1O Show InChI InChI=1S/C21H24N4O4/c1-3-18(26)17-10-11-19(14(2)20(17)27)29-13-5-4-12-28-16-8-6-15(7-9-16)21-22-24-25-23-21/h6-11,27H,3-5,12-13H2,1-2H3,(H,22,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	380	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration for binding to human metabotropic glutamate receptor 2 as determined by GTPgammaS assay				Bioorg Med Chem Lett 14: 5329-32 (2004) Article DOI: 10.1016/j.bmcl.2004.08.020 BindingDB Entry DOI: 10.7270/Q21Z43W0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50153744 (4-(4-Acetyl-3-hydroxy-2-propyl-phenoxy)-butyric ac...) Show SMILES CCCc1c(OCCCC(=O)Oc2ccc(cc2)-c2nnn[nH]2)ccc(C(C)=O)c1O Show InChI InChI=1S/C22H24N4O5/c1-3-5-18-19(12-11-17(14(2)27)21(18)29)30-13-4-6-20(28)31-16-9-7-15(8-10-16)22-23-25-26-24-22/h7-12,29H,3-6,13H2,1-2H3,(H,23,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.52E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration for binding to human metabotropic glutamate receptor 2 as determined by GTPgammaS assay				Bioorg Med Chem Lett 14: 5329-32 (2004) Article DOI: 10.1016/j.bmcl.2004.08.020 BindingDB Entry DOI: 10.7270/Q21Z43W0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50153745 (CHEMBL183756 | N-{4-[4-(4-Acetyl-3-hydroxy-2-propy...) Show SMILES CCCc1c(O)c(ccc1OCCCCOc1ccc(cc1)C(=O)NS(C)(=O)=O)C(C)=O Show InChI InChI=1S/C23H29NO7S/c1-4-7-20-21(13-12-19(16(2)25)22(20)26)31-15-6-5-14-30-18-10-8-17(9-11-18)23(27)24-32(3,28)29/h8-13,26H,4-7,14-15H2,1-3H3,(H,24,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.04E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration for binding to human metabotropic glutamate receptor 2 as determined by GTPgammaS assay				Bioorg Med Chem Lett 14: 5329-32 (2004) Article DOI: 10.1016/j.bmcl.2004.08.020 BindingDB Entry DOI: 10.7270/Q21Z43W0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50153746 (1-(2-Hydroxy-3-propyl-4-{4-[4-(2H-tetrazol-5-yl)-p...) Show SMILES CCCc1c(OCCCCNc2ccc(cc2)-c2nnn[nH]2)ccc(C(C)=O)c1O Show InChI InChI=1S/C22H27N5O3/c1-3-6-19-20(12-11-18(15(2)28)21(19)29)30-14-5-4-13-23-17-9-7-16(8-10-17)22-24-26-27-25-22/h7-12,23,29H,3-6,13-14H2,1-2H3,(H,24,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	939	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration for binding to human metabotropic glutamate receptor 2 as determined by GTPgammaS assay				Bioorg Med Chem Lett 14: 5329-32 (2004) Article DOI: 10.1016/j.bmcl.2004.08.020 BindingDB Entry DOI: 10.7270/Q21Z43W0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50153747 (1-(2-Hydroxy-3-propyl-4-{4-[4-(2H-tetrazol-5-yl)-p...) Show SMILES CCCc1c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc(C(=O)CC(C)C)c1O Show InChI InChI=1S/C25H32N4O4/c1-4-7-21-23(13-12-20(24(21)31)22(30)16-17(2)3)33-15-6-5-14-32-19-10-8-18(9-11-19)25-26-28-29-27-25/h8-13,17,31H,4-7,14-16H2,1-3H3,(H,26,27,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	421	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration for binding to human metabotropic glutamate receptor 2 as determined by GTPgammaS assay				Bioorg Med Chem Lett 14: 5329-32 (2004) Article DOI: 10.1016/j.bmcl.2004.08.020 BindingDB Entry DOI: 10.7270/Q21Z43W0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50153748 (1-(2-Hydroxy-4-{1-methyl-4-[4-(2H-tetrazol-5-yl)-p...) Show SMILES CCCc1c(OC(C)CCCOc2ccc(cc2)-c2nnn[nH]2)ccc(C(C)=O)c1O Show InChI InChI=1S/C23H28N4O4/c1-4-6-20-21(13-12-19(16(3)28)22(20)29)31-15(2)7-5-14-30-18-10-8-17(9-11-18)23-24-26-27-25-23/h8-13,15,29H,4-7,14H2,1-3H3,(H,24,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	918	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration for binding to human metabotropic glutamate receptor 2 as determined by GTPgammaS assay				Bioorg Med Chem Lett 14: 5329-32 (2004) Article DOI: 10.1016/j.bmcl.2004.08.020 BindingDB Entry DOI: 10.7270/Q21Z43W0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50153749 (1-(2-Hydroxy-3-methyl-4-{4-[4-(2H-tetrazol-5-yl)-p...) Show SMILES CC(=O)c1ccc(OCCCCOc2ccc(cc2)-c2nnn[nH]2)c(C)c1O Show InChI InChI=1S/C20H22N4O4/c1-13-18(10-9-17(14(2)25)19(13)26)28-12-4-3-11-27-16-7-5-15(6-8-16)20-21-23-24-22-20/h5-10,26H,3-4,11-12H2,1-2H3,(H,21,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.37E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration for binding to human metabotropic glutamate receptor 2 as determined by GTPgammaS assay				Bioorg Med Chem Lett 14: 5329-32 (2004) Article DOI: 10.1016/j.bmcl.2004.08.020 BindingDB Entry DOI: 10.7270/Q21Z43W0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50153750 (1-(2-Hydroxy-3-methyl-4-{4-[4-(2H-tetrazol-5-yl)-p...) Show SMILES CCCC(=O)c1ccc(OCCCCOc2ccc(cc2)-c2nnn[nH]2)c(C)c1O Show InChI InChI=1S/C22H26N4O4/c1-3-6-19(27)18-11-12-20(15(2)21(18)28)30-14-5-4-13-29-17-9-7-16(8-10-17)22-23-25-26-24-22/h7-12,28H,3-6,13-14H2,1-2H3,(H,23,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	304	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration for binding to human metabotropic glutamate receptor 2 as determined by GTPgammaS assay				Bioorg Med Chem Lett 14: 5329-32 (2004) Article DOI: 10.1016/j.bmcl.2004.08.020 BindingDB Entry DOI: 10.7270/Q21Z43W0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50153751 (1-(3-Bromo-2-hydroxy-4-{4-[4-(2H-tetrazol-5-yl)-ph...) Show SMILES CC(=O)c1ccc(OCCCCOc2ccc(cc2)-c2nnn[nH]2)c(Br)c1O Show InChI InChI=1S/C19H19BrN4O4/c1-12(25)15-8-9-16(17(20)18(15)26)28-11-3-2-10-27-14-6-4-13(5-7-14)19-21-23-24-22-19/h4-9,26H,2-3,10-11H2,1H3,(H,21,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	878	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration for binding to human metabotropic glutamate receptor 2 as determined by GTPgammaS assay				Bioorg Med Chem Lett 14: 5329-32 (2004) Article DOI: 10.1016/j.bmcl.2004.08.020 BindingDB Entry DOI: 10.7270/Q21Z43W0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50153752 (1-(2-Hydroxy-3-methyl-4-{4-[4-(1H-tetrazol-5-yl)-p...) Show SMILES CC(C)CC(=O)c1ccc(OCCCCOc2ccc(cc2)-c2nnn[nH]2)c(C)c1O Show InChI InChI=1S/C23H28N4O4/c1-15(2)14-20(28)19-10-11-21(16(3)22(19)29)31-13-5-4-12-30-18-8-6-17(7-9-18)23-24-26-27-25-23/h6-11,15,29H,4-5,12-14H2,1-3H3,(H,24,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	229	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration for binding to human metabotropic glutamate receptor 2 as determined by GTPgammaS assay				Bioorg Med Chem Lett 14: 5329-32 (2004) Article DOI: 10.1016/j.bmcl.2004.08.020 BindingDB Entry DOI: 10.7270/Q21Z43W0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50130608 (2,2,2-Trifluoro-ethanesulfonic acid [4-(2-methoxy-...) Show SMILES COc1ccccc1Oc1ccc(cc1)N(Cc1cccnc1)S(=O)(=O)CC(F)(F)F Show InChI InChI=1S/C21H19F3N2O4S/c1-29-19-6-2-3-7-20(19)30-18-10-8-17(9-11-18)26(14-16-5-4-12-25-13-16)31(27,28)15-21(22,23)24/h2-13H,14-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration for binding to human metabotropic glutamate receptor 2 as determined by GTPgammaS assay				Bioorg Med Chem Lett 14: 5329-32 (2004) Article DOI: 10.1016/j.bmcl.2004.08.020 BindingDB Entry DOI: 10.7270/Q21Z43W0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50153753 (1-(2-Hydroxy-4-{1-methyl-4-[4-(2H-tetrazol-5-yl)-p...) Show SMILES CCCc1c(OC(C)CCC(C)Oc2ccc(cc2)-c2nnn[nH]2)ccc(C(C)=O)c1O Show InChI InChI=1S/C24H30N4O4/c1-5-6-21-22(14-13-20(17(4)29)23(21)30)32-16(3)8-7-15(2)31-19-11-9-18(10-12-19)24-25-27-28-26-24/h9-16,30H,5-8H2,1-4H3,(H,25,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	241	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration for binding to human metabotropic glutamate receptor 2 as determined by GTPgammaS assay				Bioorg Med Chem Lett 14: 5329-32 (2004) Article DOI: 10.1016/j.bmcl.2004.08.020 BindingDB Entry DOI: 10.7270/Q21Z43W0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50153755 (4-[4-(4-Acetyl-3-hydroxy-2-propyl-phenoxy)-butoxy]...) Show SMILES CCCc1c(O)c(ccc1OCCCCOc1ccc(cc1)C(O)=O)C(C)=O Show InChI InChI=1S/C22H26O6/c1-3-6-19-20(12-11-18(15(2)23)21(19)24)28-14-5-4-13-27-17-9-7-16(8-10-17)22(25)26/h7-12,24H,3-6,13-14H2,1-2H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.82E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration for binding to human metabotropic glutamate receptor 2 as determined by GTPgammaS assay				Bioorg Med Chem Lett 14: 5329-32 (2004) Article DOI: 10.1016/j.bmcl.2004.08.020 BindingDB Entry DOI: 10.7270/Q21Z43W0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50153754 (1-(2-Hydroxy-3-propyl-4-{5-[4-(2H-tetrazol-5-yl)-p...) Show SMILES CCCc1c(OCCCCCOc2ccc(cc2)-c2nnn[nH]2)ccc(C(C)=O)c1O Show InChI InChI=1S/C23H28N4O4/c1-3-7-20-21(13-12-19(16(2)28)22(20)29)31-15-6-4-5-14-30-18-10-8-17(9-11-18)23-24-26-27-25-23/h8-13,29H,3-7,14-15H2,1-2H3,(H,24,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.31E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration for binding to human metabotropic glutamate receptor 2 as determined by GTPgammaS assay				Bioorg Med Chem Lett 14: 5329-32 (2004) Article DOI: 10.1016/j.bmcl.2004.08.020 BindingDB Entry DOI: 10.7270/Q21Z43W0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50153756 (1-(3-Bromo-2-hydroxy-4-{4-[4-(2H-tetrazol-5-yl)-ph...) Show SMILES CC(C)CC(=O)c1ccc(OCCCCOc2ccc(cc2)-c2nnn[nH]2)c(Br)c1O Show InChI InChI=1S/C22H25BrN4O4/c1-14(2)13-18(28)17-9-10-19(20(23)21(17)29)31-12-4-3-11-30-16-7-5-15(6-8-16)22-24-26-27-25-22/h5-10,14,29H,3-4,11-13H2,1-2H3,(H,24,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	93	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration for binding to human metabotropic glutamate receptor 2 as determined by GTPgammaS assay				Bioorg Med Chem Lett 14: 5329-32 (2004) Article DOI: 10.1016/j.bmcl.2004.08.020 BindingDB Entry DOI: 10.7270/Q21Z43W0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50153740 (1-(2-Hydroxy-3-propyl-4-{3-[4-(2H-tetrazol-5-yl)-p...) Show SMILES CCCc1c(OCCCOc2ccc(cc2)-c2nnn[nH]2)ccc(C(C)=O)c1O Show InChI InChI=1S/C21H24N4O4/c1-3-5-18-19(11-10-17(14(2)26)20(18)27)29-13-4-12-28-16-8-6-15(7-9-16)21-22-24-25-23-21/h6-11,27H,3-5,12-13H2,1-2H3,(H,22,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.42E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration for binding to human metabotropic glutamate receptor 2 as determined by GTPgammaS assay				Bioorg Med Chem Lett 14: 5329-32 (2004) Article DOI: 10.1016/j.bmcl.2004.08.020 BindingDB Entry DOI: 10.7270/Q21Z43W0
					More data for this Ligand-Target Pair