Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50040642   

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))	BDBM50151435 ((1R,2R,3R,5R,6R)-2-Amino-3-(3,4-dichloro-benzyloxy...) Show SMILES N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(Cl)c(Cl)c1)[C@]2(F)C(O)=O)C(O)=O Show InChI InChI=1S/C15H14Cl2FNO5/c16-8-2-1-6(3-9(8)17)5-24-10-4-7-11(14(7,18)12(20)21)15(10,19)13(22)23/h1-3,7,10-11H,4-5,19H2,(H,20,21)(H,22,23)/t7-,10-,11+,14-,15+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Binding affinity to mGLUR2				Bioorg Med Chem Lett 22: 1958-62 (2012) Article DOI: 10.1016/j.bmcl.2012.01.039 BindingDB Entry DOI: 10.7270/Q2T72JJ1
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 3 (Homo sapiens (Human))	BDBM50151435 ((1R,2R,3R,5R,6R)-2-Amino-3-(3,4-dichloro-benzyloxy...) Show SMILES N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(Cl)c(Cl)c1)[C@]2(F)C(O)=O)C(O)=O Show InChI InChI=1S/C15H14Cl2FNO5/c16-8-2-1-6(3-9(8)17)5-24-10-4-7-11(14(7,18)12(20)21)15(10,19)13(22)23/h1-3,7,10-11H,4-5,19H2,(H,20,21)(H,22,23)/t7-,10-,11+,14-,15+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Binding affinity to mGLUR3				Bioorg Med Chem Lett 22: 1958-62 (2012) Article DOI: 10.1016/j.bmcl.2012.01.039 BindingDB Entry DOI: 10.7270/Q2T72JJ1
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 3 (Homo sapiens (Human))	BDBM50062522 ((1S,2S)-2-((S)-1-amino-1-carboxy-2-(9H-xanthen-9-y...) Show SMILES N[C@@](CC1c2ccccc2Oc2ccccc12)([C@H]1C[C@@H]1C(O)=O)C(O)=O Show InChI InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Antagonist activity at human mGLUR3 expressed in RGT cells assessed as inhibition of (1S,3R)-1-aminocyclopentane-1,3-dicarboxylic acid-induced inhibi...				Bioorg Med Chem Lett 22: 1958-62 (2012) Article DOI: 10.1016/j.bmcl.2012.01.039 BindingDB Entry DOI: 10.7270/Q2T72JJ1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50151435 ((1R,2R,3R,5R,6R)-2-Amino-3-(3,4-dichloro-benzyloxy...) Show SMILES N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(Cl)c(Cl)c1)[C@]2(F)C(O)=O)C(O)=O Show InChI InChI=1S/C15H14Cl2FNO5/c16-8-2-1-6(3-9(8)17)5-24-10-4-7-11(14(7,18)12(20)21)15(10,19)13(22)23/h1-3,7,10-11H,4-5,19H2,(H,20,21)(H,22,23)/t7-,10-,11+,14-,15+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Antagonist activity at mGLUR2 expressed in CHO cells assessed as inhibition of glutamate-induced inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 22: 1958-62 (2012) Article DOI: 10.1016/j.bmcl.2012.01.039 BindingDB Entry DOI: 10.7270/Q2T72JJ1
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50062522 ((1S,2S)-2-((S)-1-amino-1-carboxy-2-(9H-xanthen-9-y...) Show SMILES N[C@@](CC1c2ccccc2Oc2ccccc12)([C@H]1C[C@@H]1C(O)=O)C(O)=O Show InChI InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Antagonist activity at human mGLUR2 expressed in RGT cells assessed as inhibition of (1S,3R)-1-aminocyclopentane-1,3-dicarboxylic acid-induced inhibi...				Bioorg Med Chem Lett 22: 1958-62 (2012) Article DOI: 10.1016/j.bmcl.2012.01.039 BindingDB Entry DOI: 10.7270/Q2T72JJ1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 3 (Homo sapiens (Human))	BDBM50151435 ((1R,2R,3R,5R,6R)-2-Amino-3-(3,4-dichloro-benzyloxy...) Show SMILES N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(Cl)c(Cl)c1)[C@]2(F)C(O)=O)C(O)=O Show InChI InChI=1S/C15H14Cl2FNO5/c16-8-2-1-6(3-9(8)17)5-24-10-4-7-11(14(7,18)12(20)21)15(10,19)13(22)23/h1-3,7,10-11H,4-5,19H2,(H,20,21)(H,22,23)/t7-,10-,11+,14-,15+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Antagonist activity at mGLUR3 expressed in CHO cells assessed as inhibition of glutamate-induced inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 22: 1958-62 (2012) Article DOI: 10.1016/j.bmcl.2012.01.039 BindingDB Entry DOI: 10.7270/Q2T72JJ1
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50397661 (EGLUMEGAD) Show SMILES N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	11.1	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Agonist activity at mGLUR2 in rat cerebral cortex assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 22: 1958-62 (2012) Article DOI: 10.1016/j.bmcl.2012.01.039 BindingDB Entry DOI: 10.7270/Q2T72JJ1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 3 (Homo sapiens (Human))	BDBM50094843 ((+)-2-Amino-6-fluoro-4-oxo-bicyclo[3.1.0]hexane-2,...) Show SMILES N[C@]1(CC(=O)[C@@H]2[C@H]1[C@@]2(F)C(O)=O)C(O)=O Show InChI InChI=1S/C8H8FNO5/c9-8(6(14)15)3-2(11)1-7(10,4(3)8)5(12)13/h3-4H,1,10H2,(H,12,13)(H,14,15)/t3-,4-,7+,8-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.07	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Agonist activity at mGLUR3 expressed in CHO cells				Bioorg Med Chem Lett 22: 1958-62 (2012) Article DOI: 10.1016/j.bmcl.2012.01.039 BindingDB Entry DOI: 10.7270/Q2T72JJ1
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50094843 ((+)-2-Amino-6-fluoro-4-oxo-bicyclo[3.1.0]hexane-2,...) Show SMILES N[C@]1(CC(=O)[C@@H]2[C@H]1[C@@]2(F)C(O)=O)C(O)=O Show InChI InChI=1S/C8H8FNO5/c9-8(6(14)15)3-2(11)1-7(10,4(3)8)5(12)13/h3-4H,1,10H2,(H,12,13)(H,14,15)/t3-,4-,7+,8-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.570	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Agonist activity at mGLUR2 expressed in CHO cells				Bioorg Med Chem Lett 22: 1958-62 (2012) Article DOI: 10.1016/j.bmcl.2012.01.039 BindingDB Entry DOI: 10.7270/Q2T72JJ1
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 3 (Homo sapiens (Human))	BDBM50074749 ((1R,4R,5S,6R)-4-Amino-2-oxa-bicyclo[3.1.0]hexane-4...) Show SMILES N[C@]1(CO[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O Show InChI InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+/m1/s1	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	4.58	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Agonist activity at human mGLUR3 assessed as inhibition of forskolin-stimulated cAMP production by cell-based assay				Bioorg Med Chem Lett 22: 1958-62 (2012) Article DOI: 10.1016/j.bmcl.2012.01.039 BindingDB Entry DOI: 10.7270/Q2T72JJ1
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50074749 ((1R,4R,5S,6R)-4-Amino-2-oxa-bicyclo[3.1.0]hexane-4...) Show SMILES N[C@]1(CO[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O Show InChI InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+/m1/s1	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	2.69	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Agonist activity at human mGLUR2 assessed as inhibition of forskolin-stimulated cAMP production by cell-based assay				Bioorg Med Chem Lett 22: 1958-62 (2012) Article DOI: 10.1016/j.bmcl.2012.01.039 BindingDB Entry DOI: 10.7270/Q2T72JJ1
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 3 (Rattus norvegicus (Rat))	BDBM50397661 (EGLUMEGAD) Show SMILES N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	38	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Agonist activity at mGLUR3 in rat cerebral cortex assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 22: 1958-62 (2012) Article DOI: 10.1016/j.bmcl.2012.01.039 BindingDB Entry DOI: 10.7270/Q2T72JJ1
					More data for this Ligand-Target Pair				3D Structure (crystal)