Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50037042   

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)	BDBM17660 ((2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl...) Show SMILES N[C@@H](Cn1oc(=O)[nH]c1=O)C(O)=O Show InChI InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parc Club Orsay Universit£ Curated by ChEMBL					Assay Description Binding affinity at Metabotropic glutamate receptor 1				J Med Chem 45: 3171-83 (2002) BindingDB Entry DOI: 10.7270/Q2B27W18
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50056272 ((1S,2S,5R,6S)-2-Amino-bicyclo[3.1.0]hexane-2,6-dic...) Show SMILES N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r| 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 CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parc Club Orsay Universit£ Curated by ChEMBL					Assay Description Binding affinity at Metabotropic glutamate receptor 2				J Med Chem 45: 3171-83 (2002) BindingDB Entry DOI: 10.7270/Q2B27W18
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50034503 ((1R,2R)-3-((S)-Amino-carboxy-methyl)-cyclopropane-...) Show SMILES N[C@@H](C1[C@H]([C@@H]1C(O)=O)C(O)=O)C(O)=O Show InChI InChI=1S/C7H9NO6/c8-4(7(13)14)1-2(5(9)10)3(1)6(11)12/h1-4H,8H2,(H,9,10)(H,11,12)(H,13,14)/t2-,3-,4+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parc Club Orsay Universit£ Curated by ChEMBL					Assay Description Binding affinity at Metabotropic glutamate receptor 2				J Med Chem 45: 3171-83 (2002) BindingDB Entry DOI: 10.7270/Q2B27W18
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM26431 ((2R)-2-aminopentanedioic acid | CHEMBL76232 | D-Gl...) Show SMILES N[C@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parc Club Orsay Universit£ Curated by ChEMBL					Assay Description Binding affinity at Metabotropic glutamate receptor 1				J Med Chem 45: 3171-83 (2002) BindingDB Entry DOI: 10.7270/Q2B27W18
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 4 (Homo sapiens (Human))	BDBM50007548 ((S)-2-Amino-4-phosphono-butyric acid | (S)-2-amino...) Show SMILES N[C@@H](CCP(O)(O)=O)C(O)=O |r| Show InChI InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parc Club Orsay Universit£ Curated by ChEMBL					Assay Description Binding affinity at Metabotropic glutamate receptor 4				J Med Chem 45: 3171-83 (2002) BindingDB Entry DOI: 10.7270/Q2B27W18
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50079183 ((2S)-amino(3,5-dihydroxyphenyl)ethanoic acid | (S)...) Show SMILES N[C@H](C(O)=O)c1cc(O)cc(O)c1 Show InChI InChI=1S/C8H9NO4/c9-7(8(12)13)4-1-5(10)3-6(11)2-4/h1-3,7,10-11H,9H2,(H,12,13)/t7-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parc Club Orsay Universit£ Curated by ChEMBL					Assay Description Binding affinity at Metabotropic glutamate receptor 1				J Med Chem 45: 3171-83 (2002) BindingDB Entry DOI: 10.7270/Q2B27W18
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM26431 ((2R)-2-aminopentanedioic acid | CHEMBL76232 | D-Gl...) Show SMILES N[C@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parc Club Orsay Universit£ Curated by ChEMBL					Assay Description Binding affinity at Metabotropic glutamate receptor 2				J Med Chem 45: 3171-83 (2002) BindingDB Entry DOI: 10.7270/Q2B27W18
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 4 (Homo sapiens (Human))	BDBM26431 ((2R)-2-aminopentanedioic acid | CHEMBL76232 | D-Gl...) Show SMILES N[C@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parc Club Orsay Universit£ Curated by ChEMBL					Assay Description Binding affinity at Metabotropic glutamate receptor 4				J Med Chem 45: 3171-83 (2002) BindingDB Entry DOI: 10.7270/Q2B27W18
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50053588 ((S)-4-(amino(carboxy)methyl)benzoic acid | (S)-4-c...) Show SMILES N[C@H](C(O)=O)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C9H9NO4/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12/h1-4,7H,10H2,(H,11,12)(H,13,14)/t7-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parc Club Orsay Universit£ Curated by ChEMBL					Assay Description Binding affinity at Metabotropic glutamate receptor 1				J Med Chem 45: 3171-83 (2002) BindingDB Entry DOI: 10.7270/Q2B27W18
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 4 (Homo sapiens (Human))	BDBM17660 ((2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl...) Show SMILES N[C@@H](Cn1oc(=O)[nH]c1=O)C(O)=O Show InChI InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.12E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parc Club Orsay Universit£ Curated by ChEMBL					Assay Description Binding affinity at Metabotropic glutamate receptor 4				J Med Chem 45: 3171-83 (2002) BindingDB Entry DOI: 10.7270/Q2B27W18
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM17660 ((2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl...) Show SMILES N[C@@H](Cn1oc(=O)[nH]c1=O)C(O)=O Show InChI InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.13E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parc Club Orsay Universit£ Curated by ChEMBL					Assay Description Binding affinity at Metabotropic glutamate receptor 2				J Med Chem 45: 3171-83 (2002) BindingDB Entry DOI: 10.7270/Q2B27W18
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50007548 ((S)-2-Amino-4-phosphono-butyric acid | (S)-2-amino...) Show SMILES N[C@@H](CCP(O)(O)=O)C(O)=O |r| Show InChI InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	1.29E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parc Club Orsay Universit£ Curated by ChEMBL					Assay Description Binding affinity at Metabotropic glutamate receptor 2				J Med Chem 45: 3171-83 (2002) BindingDB Entry DOI: 10.7270/Q2B27W18
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 4 (Homo sapiens (Human))	BDBM50053588 ((S)-4-(amino(carboxy)methyl)benzoic acid | (S)-4-c...) Show SMILES N[C@H](C(O)=O)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C9H9NO4/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12/h1-4,7H,10H2,(H,11,12)(H,13,14)/t7-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	8.38E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parc Club Orsay Universit£ Curated by ChEMBL					Assay Description Binding affinity at Metabotropic glutamate receptor 4				J Med Chem 45: 3171-83 (2002) BindingDB Entry DOI: 10.7270/Q2B27W18
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50079183 ((2S)-amino(3,5-dihydroxyphenyl)ethanoic acid | (S)...) Show SMILES N[C@H](C(O)=O)c1cc(O)cc(O)c1 Show InChI InChI=1S/C8H9NO4/c9-7(8(12)13)4-1-5(10)3-6(11)2-4/h1-3,7,10-11H,9H2,(H,12,13)/t7-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parc Club Orsay Universit£ Curated by ChEMBL					Assay Description Binding affinity at Metabotropic glutamate receptor 2				J Med Chem 45: 3171-83 (2002) BindingDB Entry DOI: 10.7270/Q2B27W18
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50007548 ((S)-2-Amino-4-phosphono-butyric acid | (S)-2-amino...) Show SMILES N[C@@H](CCP(O)(O)=O)C(O)=O |r| Show InChI InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parc Club Orsay Universit£ Curated by ChEMBL					Assay Description Binding affinity at Metabotropic glutamate receptor 1				J Med Chem 45: 3171-83 (2002) BindingDB Entry DOI: 10.7270/Q2B27W18
					More data for this Ligand-Target Pair