Compile Data Set for Download or QSAR

Found 191 hits with Last Name = 'allgeier' and Initial = 'h'   

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 5 (Homo sapiens (Human))	BDBM50198702 ((E)-3-((6-methylpyridin-2-yl)ethynyl)cyclohex-2-en...) Show SMILES CO\N=C1/CCCC(=C1)C#Cc1cccc(C)n1 |c:7| Show InChI InChI=1S/C15H16N2O/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-18-2/h3,5,7,11H,4,6,8H2,1-2H3/b17-15+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]ABP688 from human mGluR5 receptor expressed in L (tk-) cells				Bioorg Med Chem 15: 903-14 (2006) Article DOI: 10.1016/j.bmc.2006.10.038 BindingDB Entry DOI: 10.7270/Q25D8SNC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50198702 ((E)-3-((6-methylpyridin-2-yl)ethynyl)cyclohex-2-en...) Show SMILES CO\N=C1/CCCC(=C1)C#Cc1cccc(C)n1 |c:7| Show InChI InChI=1S/C15H16N2O/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-18-2/h3,5,7,11H,4,6,8H2,1-2H3/b17-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]ABP688 from mGluR5 in rat brain membrane				Bioorg Med Chem 15: 903-14 (2006) Article DOI: 10.1016/j.bmc.2006.10.038 BindingDB Entry DOI: 10.7270/Q25D8SNC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50198702 ((E)-3-((6-methylpyridin-2-yl)ethynyl)cyclohex-2-en...) Show SMILES CO\N=C1/CCCC(=C1)C#Cc1cccc(C)n1 |c:7| Show InChI InChI=1S/C15H16N2O/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-18-2/h3,5,7,11H,4,6,8H2,1-2H3/b17-15+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]M-MPEP from human mGluR5 receptor expressed in L (tk-) cells				Bioorg Med Chem 15: 903-14 (2006) Article DOI: 10.1016/j.bmc.2006.10.038 BindingDB Entry DOI: 10.7270/Q25D8SNC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50123005 (2-(3-Methoxy-phenylethynyl)-6-methyl-pyridine | 2-...) Show SMILES COc1cccc(c1)C#Cc1cccc(C)n1 Show InChI InChI=1S/C15H13NO/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-2/h3-8,11H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]ABP688 from human mGluR5 receptor expressed in L (tk-) cells				Bioorg Med Chem 15: 903-14 (2006) Article DOI: 10.1016/j.bmc.2006.10.038 BindingDB Entry DOI: 10.7270/Q25D8SNC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50123005 (2-(3-Methoxy-phenylethynyl)-6-methyl-pyridine | 2-...) Show SMILES COc1cccc(c1)C#Cc1cccc(C)n1 Show InChI InChI=1S/C15H13NO/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-2/h3-8,11H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]ABP688 from mGluR5 in rat brain membrane				Bioorg Med Chem 15: 903-14 (2006) Article DOI: 10.1016/j.bmc.2006.10.038 BindingDB Entry DOI: 10.7270/Q25D8SNC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]ABP688 from mGluR5 in rat brain membrane				Bioorg Med Chem 15: 903-14 (2006) Article DOI: 10.1016/j.bmc.2006.10.038 BindingDB Entry DOI: 10.7270/Q25D8SNC
					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	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]ABP688 from human mGluR5 receptor expressed in L (tk-) cells				Bioorg Med Chem 15: 903-14 (2006) Article DOI: 10.1016/j.bmc.2006.10.038 BindingDB Entry DOI: 10.7270/Q25D8SNC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50094186 ((-)1aS,7aS -2-Hydroxyimino-1a,2-dihydro-1H-7-oxa-c...) Show SMILES CCOC(=O)[C@]12CC1C(N=O)c1ccccc1O2 Show InChI InChI=1S/C13H13NO4/c1-2-17-12(15)13-7-9(13)11(14-16)8-5-3-4-6-10(8)18-13/h3-6,9,11H,2,7H2,1H3/t9?,11?,13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]ABP688 from mGluR5 in rat brain membrane				Bioorg Med Chem 15: 903-14 (2006) Article DOI: 10.1016/j.bmc.2006.10.038 BindingDB Entry DOI: 10.7270/Q25D8SNC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50094186 ((-)1aS,7aS -2-Hydroxyimino-1a,2-dihydro-1H-7-oxa-c...) Show SMILES CCOC(=O)[C@]12CC1C(N=O)c1ccccc1O2 Show InChI InChI=1S/C13H13NO4/c1-2-17-12(15)13-7-9(13)11(14-16)8-5-3-4-6-10(8)18-13/h3-6,9,11H,2,7H2,1H3/t9?,11?,13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]ABP688 from human mGluR5 receptor expressed in L (tk-) cells				Bioorg Med Chem 15: 903-14 (2006) Article DOI: 10.1016/j.bmc.2006.10.038 BindingDB Entry DOI: 10.7270/Q25D8SNC
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM120943 (US8716296, 89) Show SMILES COc1ccc(F)cc1-c1cc(NC(=O)COc2ccc(Cl)cn2)ncn1 Show InChI InChI=1S/C18H14ClFN4O3/c1-26-15-4-3-12(20)6-13(15)14-7-16(23-10-22-14)24-17(25)9-27-18-5-2-11(19)8-21-18/h2-8,10H,9H2,1H3,(H,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00500	n/a	n/a	n/a	n/a	7.5	n/a
Ingenium Pharmaceuticals GmbH US Patent					Assay Description All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...				US Patent US8716296 (2014) BindingDB Entry DOI: 10.7270/Q2PN949G
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM120941 (US8716296, 82) Show SMILES COc1ccc(F)cc1-c1cc(NC(=O)Cc2cccnc2)ncn1 Show InChI InChI=1S/C18H15FN4O2/c1-25-16-5-4-13(19)8-14(16)15-9-17(22-11-21-15)23-18(24)7-12-3-2-6-20-10-12/h2-6,8-11H,7H2,1H3,(H,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0150	n/a	n/a	n/a	n/a	7.5	n/a
Ingenium Pharmaceuticals GmbH US Patent					Assay Description All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...				US Patent US8716296 (2014) BindingDB Entry DOI: 10.7270/Q2PN949G
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM120934 (US8716296, 2) Show SMILES COc1ccc(F)cc1-c1cc(NC(=O)C2CCCNC2)ncn1 Show InChI InChI=1S/C17H19FN4O2/c1-24-15-5-4-12(18)7-13(15)14-8-16(21-10-20-14)22-17(23)11-3-2-6-19-9-11/h4-5,7-8,10-11,19H,2-3,6,9H2,1H3,(H,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0180	n/a	n/a	n/a	n/a	7.5	n/a
Ingenium Pharmaceuticals GmbH US Patent					Assay Description All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...				US Patent US8716296 (2014) BindingDB Entry DOI: 10.7270/Q2PN949G
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM120936 (US8716296, 5 | US8716296, 6) Show SMILES COc1ccccc1-c1cc(NC(=O)C2CCC(=O)NC2)ncn1 Show InChI InChI=1S/C17H18N4O3/c1-24-14-5-3-2-4-12(14)13-8-15(20-10-19-13)21-17(23)11-6-7-16(22)18-9-11/h2-5,8,10-11H,6-7,9H2,1H3,(H,18,22)(H,19,20,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0190	n/a	n/a	n/a	n/a	7.5	n/a
Ingenium Pharmaceuticals GmbH US Patent					Assay Description All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...				US Patent US8716296 (2014) BindingDB Entry DOI: 10.7270/Q2PN949G
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM120942 (US8716296, 83) Show SMILES COc1ccc(F)cc1-c1cc(NC(=O)Cc2ccncc2)ncn1 Show InChI InChI=1S/C18H15FN4O2/c1-25-16-3-2-13(19)9-14(16)15-10-17(22-11-21-15)23-18(24)8-12-4-6-20-7-5-12/h2-7,9-11H,8H2,1H3,(H,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0290	n/a	n/a	n/a	n/a	7.5	n/a
Ingenium Pharmaceuticals GmbH US Patent					Assay Description All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...				US Patent US8716296 (2014) BindingDB Entry DOI: 10.7270/Q2PN949G
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM120935 (US8716296, 3) Show SMILES COc1cccc(F)c1-c1cc(NC(=O)C2CCCNC2)ncn1 Show InChI InChI=1S/C17H19FN4O2/c1-24-14-6-2-5-12(18)16(14)13-8-15(21-10-20-13)22-17(23)11-4-3-7-19-9-11/h2,5-6,8,10-11,19H,3-4,7,9H2,1H3,(H,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0390	n/a	n/a	n/a	n/a	7.5	n/a
Ingenium Pharmaceuticals GmbH US Patent					Assay Description All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...				US Patent US8716296 (2014) BindingDB Entry DOI: 10.7270/Q2PN949G
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM120939 (US8716296, 52) Show SMILES COc1ccccc1-c1cc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)ncn1 Show InChI InChI=1S/C20H20N4O4S/c1-13-8-9-14(10-16(13)24-29(3,26)27)20(25)23-19-11-17(21-12-22-19)15-6-4-5-7-18(15)28-2/h4-12,24H,1-3H3,(H,21,22,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.116	n/a	n/a	n/a	n/a	7.5	n/a
Ingenium Pharmaceuticals GmbH US Patent					Assay Description All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...				US Patent US8716296 (2014) BindingDB Entry DOI: 10.7270/Q2PN949G
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM120936 (US8716296, 5 | US8716296, 6) Show SMILES COc1ccccc1-c1cc(NC(=O)C2CCC(=O)NC2)ncn1 Show InChI InChI=1S/C17H18N4O3/c1-24-14-5-3-2-4-12(14)13-8-15(20-10-19-13)21-17(23)11-6-7-16(22)18-9-11/h2-5,8,10-11H,6-7,9H2,1H3,(H,18,22)(H,19,20,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.173	n/a	n/a	n/a	n/a	7.5	n/a
Ingenium Pharmaceuticals GmbH US Patent					Assay Description All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...				US Patent US8716296 (2014) BindingDB Entry DOI: 10.7270/Q2PN949G
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A (Homo sapiens (Human))	BDBM50451503 (CHEMBL12513) Show SMILES Oc1nc2cc(cc(CP(O)(O)=O)c2nc1O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C15H12ClN2O5P/c16-11-3-1-8(2-4-11)9-5-10(7-24(21,22)23)13-12(6-9)17-14(19)15(20)18-13/h1-6H,7H2,(H,17,19)(H,18,20)(H2,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibitory activity against Xenopus laevis oocyte expressing 1A/2B heteromeric human NMDA (hNMDA) receptor				Bioorg Med Chem Lett 12: 1099-102 (2002) BindingDB Entry DOI: 10.7270/Q24B31V2
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM50451505 (CHEMBL274422) Show SMILES OC(c1cccc2nc(O)c(O)nc12)P(O)(O)=O Show InChI InChI=1S/C9H9N2O6P/c12-7-8(13)11-6-4(9(14)18(15,16)17)2-1-3-5(6)10-7/h1-3,9,14H,(H,10,12)(H,11,13)(H2,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibitory activity against Xenopus laevis oocyte expressing 1A/2B heteromeric human NMDA (hNMDA) receptor				Bioorg Med Chem Lett 12: 1099-102 (2002) BindingDB Entry DOI: 10.7270/Q24B31V2
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM120940 (US8716296, 53) Show SMILES COc1ccccc1-c1cc(NC(=O)c2cccc(NS(C)(=O)=O)c2)ncn1 Show InChI InChI=1S/C19H18N4O4S/c1-27-17-9-4-3-8-15(17)16-11-18(21-12-20-16)22-19(24)13-6-5-7-14(10-13)23-28(2,25)26/h3-12,23H,1-2H3,(H,20,21,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.08	n/a	n/a	n/a	n/a	7.5	n/a
Ingenium Pharmaceuticals GmbH US Patent					Assay Description All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...				US Patent US8716296 (2014) BindingDB Entry DOI: 10.7270/Q2PN949G
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A (Homo sapiens (Human))	BDBM50451505 (CHEMBL274422) Show SMILES OC(c1cccc2nc(O)c(O)nc12)P(O)(O)=O Show InChI InChI=1S/C9H9N2O6P/c12-7-8(13)11-6-4(9(14)18(15,16)17)2-1-3-5(6)10-7/h1-3,9,14H,(H,10,12)(H,11,13)(H2,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibitory activity against Xenopus laevis oocyte expressing 1A/2B heteromeric human NMDA (hNMDA) receptor				Bioorg Med Chem Lett 12: 1099-102 (2002) BindingDB Entry DOI: 10.7270/Q24B31V2
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM120938 (US8716296, 51) Show SMILES COc1ccccc1-c1cc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)ncn1 Show InChI InChI=1S/C19H18N4O4S/c1-27-17-6-4-3-5-15(17)16-11-18(21-12-20-16)22-19(24)13-7-9-14(10-8-13)23-28(2,25)26/h3-12,23H,1-2H3,(H,20,21,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.25	n/a	n/a	n/a	n/a	7.5	n/a
Ingenium Pharmaceuticals GmbH US Patent					Assay Description All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...				US Patent US8716296 (2014) BindingDB Entry DOI: 10.7270/Q2PN949G
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM50451503 (CHEMBL12513) Show SMILES Oc1nc2cc(cc(CP(O)(O)=O)c2nc1O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C15H12ClN2O5P/c16-11-3-1-8(2-4-11)9-5-10(7-24(21,22)23)13-12(6-9)17-14(19)15(20)18-13/h1-6H,7H2,(H,17,19)(H,18,20)(H2,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibitory activity against Xenopus laevis oocyte expressing 1A/2A heteromeric human NMDA (hNMDA) receptor				Bioorg Med Chem Lett 12: 1099-102 (2002) BindingDB Entry DOI: 10.7270/Q24B31V2
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50198702 ((E)-3-((6-methylpyridin-2-yl)ethynyl)cyclohex-2-en...) Show SMILES CO\N=C1/CCCC(=C1)C#Cc1cccc(C)n1 |c:7| Show InChI InChI=1S/C15H16N2O/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-18-2/h3,5,7,11H,4,6,8H2,1-2H3/b17-15+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Activity at human recombinant mGluR5 expressed in L(tk-) cells assessed as inhibition of glutamate-induced calcium release				Bioorg Med Chem 15: 903-14 (2006) Article DOI: 10.1016/j.bmc.2006.10.038 BindingDB Entry DOI: 10.7270/Q25D8SNC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50198702 ((E)-3-((6-methylpyridin-2-yl)ethynyl)cyclohex-2-en...) Show SMILES CO\N=C1/CCCC(=C1)C#Cc1cccc(C)n1 |c:7| Show InChI InChI=1S/C15H16N2O/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-18-2/h3,5,7,11H,4,6,8H2,1-2H3/b17-15+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Activity at human recombinant mGluR5 expressed in L(tk-) cells assessed as inhibition of quisqualate-induced phosphoinositol accumulation				Bioorg Med Chem 15: 903-14 (2006) Article DOI: 10.1016/j.bmc.2006.10.038 BindingDB Entry DOI: 10.7270/Q25D8SNC
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A (Homo sapiens (Human))	BDBM50451498 (CHEMBL536107) Show SMILES Br.Oc1nc2cccc(C(NCc3ccccc3)P(O)(O)=O)c2nc1O Show InChI InChI=1S/C16H16N3O5P.BrH/c20-14-15(21)19-13-11(7-4-8-12(13)18-14)16(25(22,23)24)17-9-10-5-2-1-3-6-10;/h1-8,16-17H,9H2,(H,18,20)(H,19,21)(H2,22,23,24);1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibitory activity against Xenopus laevis oocyte expressing 1A/2B heteromeric human NMDA (hNMDA) receptor				Bioorg Med Chem Lett 12: 1099-102 (2002) BindingDB Entry DOI: 10.7270/Q24B31V2
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50198702 ((E)-3-((6-methylpyridin-2-yl)ethynyl)cyclohex-2-en...) Show SMILES CO\N=C1/CCCC(=C1)C#Cc1cccc(C)n1 |c:7| Show InChI InChI=1S/C15H16N2O/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-18-2/h3,5,7,11H,4,6,8H2,1-2H3/b17-15+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]M-MPEP from human mGluR5 receptor expressed in L (tk-) cells				Bioorg Med Chem 15: 903-14 (2006) Article DOI: 10.1016/j.bmc.2006.10.038 BindingDB Entry DOI: 10.7270/Q25D8SNC
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50069471 (CHEMBL357190 | N-(7-Bromo-2,3-dioxo-1,2,3,4-tetrah...) Show SMILES Clc1ccccc1CC(=O)NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12 Show InChI InChI=1S/C17H13BrClN3O3/c18-11-5-10(15-13(7-11)21-16(24)17(25)22-15)8-20-14(23)6-9-3-1-2-4-12(9)19/h1-5,7H,6,8H2,(H,20,23)(H,21,24)(H,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors				Bioorg Med Chem Lett 8: 493-8 (1999) BindingDB Entry DOI: 10.7270/Q29G5NBG
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM120933 (US8716296, 1) Show SMILES COc1ccccc1-c1cc(ncn1)N(C)C(=O)[C@@H]1CCCNC1 |r| Show InChI InChI=1S/C18H22N4O2/c1-22(18(23)13-6-5-9-19-11-13)17-10-15(20-12-21-17)14-7-3-4-8-16(14)24-2/h3-4,7-8,10,12-13,19H,5-6,9,11H2,1-2H3/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	7.5	n/a
Ingenium Pharmaceuticals GmbH US Patent					Assay Description All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...				US Patent US8716296 (2014) BindingDB Entry DOI: 10.7270/Q2PN949G
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50069483 (CHEMBL356281 | N-(7-Bromo-2,3-dioxo-1,2,3,4-tetrah...) Show SMILES Brc1cc(CNC(=O)Cc2ccsc2)c2[nH]c(=O)c(=O)[nH]c2c1 Show InChI InChI=1S/C15H12BrN3O3S/c16-10-4-9(6-17-12(20)3-8-1-2-23-7-8)13-11(5-10)18-14(21)15(22)19-13/h1-2,4-5,7H,3,6H2,(H,17,20)(H,18,21)(H,19,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors				Bioorg Med Chem Lett 8: 493-8 (1999) BindingDB Entry DOI: 10.7270/Q29G5NBG
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50069482 (CHEMBL357916 | N-(7-Bromo-2,3-dioxo-1,2,3,4-tetrah...) Show SMILES CC(C(=O)NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12)c1ccccc1 Show InChI InChI=1S/C18H16BrN3O3/c1-10(11-5-3-2-4-6-11)16(23)20-9-12-7-13(19)8-14-15(12)22-18(25)17(24)21-14/h2-8,10H,9H2,1H3,(H,20,23)(H,21,24)(H,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors				Bioorg Med Chem Lett 8: 493-8 (1999) BindingDB Entry DOI: 10.7270/Q29G5NBG
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50069465 (CHEMBL343863 | Thiophene-2-carboxylic acid (7-brom...) Show SMILES Brc1cc(CNC(=O)c2cccs2)c2[nH]c(=O)c(=O)[nH]c2c1 Show InChI InChI=1S/C14H10BrN3O3S/c15-8-4-7(6-16-12(19)10-2-1-3-22-10)11-9(5-8)17-13(20)14(21)18-11/h1-5H,6H2,(H,16,19)(H,17,20)(H,18,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors				Bioorg Med Chem Lett 8: 493-8 (1999) BindingDB Entry DOI: 10.7270/Q29G5NBG
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50069459 (CHEMBL413125 | Thiophene-3-carboxylic acid (7-brom...) Show SMILES Brc1cc(CNC(=O)c2ccsc2)c2[nH]c(=O)c(=O)[nH]c2c1 Show InChI InChI=1S/C14H10BrN3O3S/c15-9-3-8(5-16-12(19)7-1-2-22-6-7)11-10(4-9)17-13(20)14(21)18-11/h1-4,6H,5H2,(H,16,19)(H,17,20)(H,18,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors				Bioorg Med Chem Lett 8: 493-8 (1999) BindingDB Entry DOI: 10.7270/Q29G5NBG
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50069458 (CHEMBL147895 | N-(7-Bromo-2,3-dioxo-1,2,3,4-tetrah...) Show SMILES Brc1cc(CNC(=O)Cc2ccccc2)c2[nH]c(=O)c(=O)[nH]c2c1 Show InChI InChI=1S/C17H14BrN3O3/c18-12-7-11(15-13(8-12)20-16(23)17(24)21-15)9-19-14(22)6-10-4-2-1-3-5-10/h1-5,7-8H,6,9H2,(H,19,22)(H,20,23)(H,21,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors				Bioorg Med Chem Lett 8: 493-8 (1999) BindingDB Entry DOI: 10.7270/Q29G5NBG
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50069495 (CHEMBL147894 | N-(7-Chloro-2,3-dioxo-1,2,3,4-tetra...) Show SMILES Clc1cc(CNC(=O)Cc2ccccc2)c2[nH]c(=O)c(=O)[nH]c2c1 Show InChI InChI=1S/C17H14ClN3O3/c18-12-7-11(15-13(8-12)20-16(23)17(24)21-15)9-19-14(22)6-10-4-2-1-3-5-10/h1-5,7-8H,6,9H2,(H,19,22)(H,20,23)(H,21,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors				Bioorg Med Chem Lett 8: 493-8 (1999) BindingDB Entry DOI: 10.7270/Q29G5NBG
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A (Homo sapiens (Human))	BDBM50451509 (CHEMBL268920) Show SMILES C[C@H](NC(c1cccc2nc(O)c(O)nc12)P(O)(O)=O)c1ccccc1 Show InChI InChI=1S/C17H18N3O5P/c1-10(11-6-3-2-4-7-11)18-17(26(23,24)25)12-8-5-9-13-14(12)20-16(22)15(21)19-13/h2-10,17-18H,1H3,(H,19,21)(H,20,22)(H2,23,24,25)/t10-,17?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibitory activity against Xenopus laevis oocyte expressing 1A/2B heteromeric human NMDA (hNMDA) receptor				Bioorg Med Chem Lett 12: 1099-102 (2002) BindingDB Entry DOI: 10.7270/Q24B31V2
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50069478 (3-Methyl-thiophene-2-carboxylic acid (7-bromo-2,3-...) Show SMILES Cc1ccsc1C(=O)NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12 Show InChI InChI=1S/C15H12BrN3O3S/c1-7-2-3-23-12(7)13(20)17-6-8-4-9(16)5-10-11(8)19-15(22)14(21)18-10/h2-5H,6H2,1H3,(H,17,20)(H,18,21)(H,19,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors				Bioorg Med Chem Lett 8: 493-8 (1999) BindingDB Entry DOI: 10.7270/Q29G5NBG
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50069456 (1-Methyl-1H-pyrrole-2-carboxylic acid (7-bromo-2,3...) Show SMILES Cn1cccc1C(=O)NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12 Show InChI InChI=1S/C15H13BrN4O3/c1-20-4-2-3-11(20)13(21)17-7-8-5-9(16)6-10-12(8)19-15(23)14(22)18-10/h2-6H,7H2,1H3,(H,17,21)(H,18,22)(H,19,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors				Bioorg Med Chem Lett 8: 493-8 (1999) BindingDB Entry DOI: 10.7270/Q29G5NBG
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50069461 (CHEMBL357447 | N-(7-Bromo-2,3-dioxo-1,2,3,4-tetrah...) Show SMILES [O-][N+](=O)c1ccccc1CC(=O)NCc1cc(Br)cc2[n-]c(=[OH+])c(=O)[nH]c12 Show InChI InChI=1S/C17H13BrN4O5/c18-11-5-10(15-12(7-11)20-16(24)17(25)21-15)8-19-14(23)6-9-3-1-2-4-13(9)22(26)27/h1-5,7H,6,8H2,(H3,19,20,21,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors				Bioorg Med Chem Lett 8: 493-8 (1999) BindingDB Entry DOI: 10.7270/Q29G5NBG
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50069470 (CHEMBL145606 | N-(7-Bromo-2,3-dioxo-1,2,3,4-tetrah...) Show SMILES COc1cccc(CC(=O)NCc2cc(Br)cc3[nH]c(=O)c(=O)[nH]c23)c1 Show InChI InChI=1S/C18H16BrN3O4/c1-26-13-4-2-3-10(5-13)6-15(23)20-9-11-7-12(19)8-14-16(11)22-18(25)17(24)21-14/h2-5,7-8H,6,9H2,1H3,(H,20,23)(H,21,24)(H,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors				Bioorg Med Chem Lett 8: 493-8 (1999) BindingDB Entry DOI: 10.7270/Q29G5NBG
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50069491 (1-(2-Methoxy-phenyl)-3-(7-nitro-2,3-dioxo-1,2,3,4-...) Show SMILES COc1ccccc1NC(=O)NCc1cc(cc2[n-]c(=[OH+])c(=O)[nH]c12)[N+]([O-])=O Show InChI InChI=1S/C17H15N5O6/c1-28-13-5-3-2-4-11(13)20-17(25)18-8-9-6-10(22(26)27)7-12-14(9)21-16(24)15(23)19-12/h2-7H,8H2,1H3,(H4,18,19,20,21,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors				Bioorg Med Chem Lett 8: 493-8 (1999) BindingDB Entry DOI: 10.7270/Q29G5NBG
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50069479 (5-Methyl-thiophene-2-carboxylic acid (7-bromo-2,3-...) Show SMILES Cc1ccc(s1)C(=O)NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12 Show InChI InChI=1S/C15H12BrN3O3S/c1-7-2-3-11(23-7)13(20)17-6-8-4-9(16)5-10-12(8)19-15(22)14(21)18-10/h2-5H,6H2,1H3,(H,17,20)(H,18,21)(H,19,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors				Bioorg Med Chem Lett 8: 493-8 (1999) BindingDB Entry DOI: 10.7270/Q29G5NBG
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50069488 (1-(4-Methoxy-phenyl)-3-(7-nitro-2,3-dioxo-1,2,3,4-...) Show SMILES COc1ccc(NC(=O)NCc2cc(cc3[n-]c(=[OH+])c(=O)[nH]c23)[N+]([O-])=O)cc1 Show InChI InChI=1S/C17H15N5O6/c1-28-12-4-2-10(3-5-12)19-17(25)18-8-9-6-11(22(26)27)7-13-14(9)21-16(24)15(23)20-13/h2-7H,8H2,1H3,(H4,18,19,20,21,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors				Bioorg Med Chem Lett 8: 493-8 (1999) BindingDB Entry DOI: 10.7270/Q29G5NBG
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM50451498 (CHEMBL536107) Show SMILES Br.Oc1nc2cccc(C(NCc3ccccc3)P(O)(O)=O)c2nc1O Show InChI InChI=1S/C16H16N3O5P.BrH/c20-14-15(21)19-13-11(7-4-8-12(13)18-14)16(25(22,23)24)17-9-10-5-2-1-3-6-10;/h1-8,16-17H,9H2,(H,18,20)(H,19,21)(H2,22,23,24);1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibitory activity against Xenopus laevis oocyte expressing 1A/2B heteromeric human NMDA (hNMDA) receptor				Bioorg Med Chem Lett 12: 1099-102 (2002) BindingDB Entry DOI: 10.7270/Q24B31V2
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50069464 (CHEMBL144064 | Furan-2-carboxylic acid (7-bromo-2,...) Show SMILES Brc1cc(CNC(=O)c2ccco2)c2[nH]c(=O)c(=O)[nH]c2c1 Show InChI InChI=1S/C14H10BrN3O4/c15-8-4-7(6-16-12(19)10-2-1-3-22-10)11-9(5-8)17-13(20)14(21)18-11/h1-5H,6H2,(H,16,19)(H,17,20)(H,18,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors				Bioorg Med Chem Lett 8: 493-8 (1999) BindingDB Entry DOI: 10.7270/Q29G5NBG
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50069460 (CHEMBL144365 | N-(7-Nitro-2,3-dioxo-1,2,3,4-tetrah...) Show SMILES [O-][N+](=O)c1cc(CNC(=O)Cc2ccccc2)c2[nH]c(=O)c(=[OH+])[n-]c2c1 Show InChI InChI=1S/C17H14N4O5/c22-14(6-10-4-2-1-3-5-10)18-9-11-7-12(21(25)26)8-13-15(11)20-17(24)16(23)19-13/h1-5,7-8H,6,9H2,(H3,18,19,20,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors				Bioorg Med Chem Lett 8: 493-8 (1999) BindingDB Entry DOI: 10.7270/Q29G5NBG
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A (Homo sapiens (Human))	BDBM50451518 (CHEMBL12256) Show SMILES Oc1nc2cccc(C(NCCc3ccccc3)P(O)(O)=O)c2nc1O Show InChI InChI=1S/C17H18N3O5P/c21-15-16(22)20-14-12(7-4-8-13(14)19-15)17(26(23,24)25)18-10-9-11-5-2-1-3-6-11/h1-8,17-18H,9-10H2,(H,19,21)(H,20,22)(H2,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibitory activity against Xenopus laevis oocyte expressing 1A/2B heteromeric human NMDA (hNMDA) receptor				Bioorg Med Chem Lett 12: 1099-102 (2002) BindingDB Entry DOI: 10.7270/Q24B31V2
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50069467 (Acetic acid [(7-bromo-2,3-dioxo-1,2,3,4-tetrahydro...) Show SMILES CC(=O)OC(C(=O)NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12)c1ccccc1 Show InChI InChI=1S/C19H16BrN3O5/c1-10(24)28-16(11-5-3-2-4-6-11)17(25)21-9-12-7-13(20)8-14-15(12)23-19(27)18(26)22-14/h2-8,16H,9H2,1H3,(H,21,25)(H,22,26)(H,23,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors				Bioorg Med Chem Lett 8: 493-8 (1999) BindingDB Entry DOI: 10.7270/Q29G5NBG
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50069497 (CHEMBL146827 | N-(7-Bromo-2,3-dioxo-1,2,3,4-tetrah...) Show SMILES Clc1cccc(CC(=O)NCc2cc(Br)cc3[nH]c(=O)c(=O)[nH]c23)c1 Show InChI InChI=1S/C17H13BrClN3O3/c18-11-6-10(15-13(7-11)21-16(24)17(25)22-15)8-20-14(23)5-9-2-1-3-12(19)4-9/h1-4,6-7H,5,8H2,(H,20,23)(H,21,24)(H,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors				Bioorg Med Chem Lett 8: 493-8 (1999) BindingDB Entry DOI: 10.7270/Q29G5NBG
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50069490 (CHEMBL147855 | N-(7-Bromo-2,3-dioxo-1,2,3,4-tetrah...) Show SMILES [O-][N+](=O)c1cccc(CC(=O)NCc2cc(Br)cc3[nH]c(=O)c(=O)[nH]c23)c1 Show InChI InChI=1S/C17H13BrN4O5/c18-11-6-10(15-13(7-11)20-16(24)17(25)21-15)8-19-14(23)5-9-2-1-3-12(4-9)22(26)27/h1-4,6-7H,5,8H2,(H,19,23)(H,20,24)(H,21,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors				Bioorg Med Chem Lett 8: 493-8 (1999) BindingDB Entry DOI: 10.7270/Q29G5NBG
					More data for this Ligand-Target Pair

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