Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50005549   

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
Glutamate receptor ionotropic, NMDA 2C (Rattus norvegicus (Rat))	BDBM50038169 ((3R,4R)-3-Amino-1-hydroxy-4-methyl-pyrrolidin-2-on...) Show SMILES C[C@@H]1CN(O)C(=O)[C@@H]1N Show InChI InChI=1S/C5H10N2O2/c1-3-2-7(9)5(8)4(3)6/h3-4,9H,2,6H2,1H3/t3-,4-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of cortical neuron at NMDA receptor				J Med Chem 37: 4053-67 (1995) BindingDB Entry DOI: 10.7270/Q2JM28PT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2C (Rattus norvegicus (Rat))	BDBM50038175 ((3R,4R)-3-Amino-1,4-dihydroxy-pyrrolidin-2-one | C...) Show SMILES N[C@@H]1[C@H](O)CN(O)C1=O Show InChI InChI=1S/C4H8N2O3/c5-3-2(7)1-6(9)4(3)8/h2-3,7,9H,1,5H2/t2-,3-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of cortical neuron at NMDA receptor				J Med Chem 37: 4053-67 (1995) BindingDB Entry DOI: 10.7270/Q2JM28PT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2C (Rattus norvegicus (Rat))	BDBM50038159 ((R)-3-Amino-1-hydroxy-pyrrolidin-2-one | CHEMBL335...) Show SMILES N[C@@H]1CCN(O)C1=O Show InChI InChI=1S/C4H8N2O2/c5-3-1-2-6(8)4(3)7/h3,8H,1-2,5H2/t3-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of cortical neuron at NMDA receptor				J Med Chem 37: 4053-67 (1995) BindingDB Entry DOI: 10.7270/Q2JM28PT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2C (Rattus norvegicus (Rat))	BDBM50038157 (6-Hydroxy-2,6-diaza-bicyclo[3.2.1]octan-7-one | CH...) Show SMILES ON1C2CC(NCC2)C1=O |TLB:0:1:3:5.7.6,THB:9:8:3:5.7.6| Show InChI InChI=1S/C6H10N2O2/c9-6-5-3-4(8(6)10)1-2-7-5/h4-5,7,10H,1-3H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of cortical neuron at NMDA receptor				J Med Chem 37: 4053-67 (1995) BindingDB Entry DOI: 10.7270/Q2JM28PT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2C (Rattus norvegicus (Rat))	BDBM50038162 (5,7-Dinitro-1,4-dihydro-quinoxaline-2,3-dione | CH...) Show SMILES [O-][N+](=O)c1cc([N+]([O-])=O)c2[nH]c(=O)c(=[OH+])[n-]c2c1 Show InChI InChI=1S/C8H4N4O6/c13-7-8(14)10-6-4(9-7)1-3(11(15)16)2-5(6)12(17)18/h1-2H,(H2,9,10,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of [3H]L-689,560 at NMDA receptor.				J Med Chem 37: 4053-67 (1995) BindingDB Entry DOI: 10.7270/Q2JM28PT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2C (Rattus norvegicus (Rat))	BDBM50038162 (5,7-Dinitro-1,4-dihydro-quinoxaline-2,3-dione | CH...) Show SMILES [O-][N+](=O)c1cc([N+]([O-])=O)c2[nH]c(=O)c(=[OH+])[n-]c2c1 Show InChI InChI=1S/C8H4N4O6/c13-7-8(14)10-6-4(9-7)1-3(11(15)16)2-5(6)12(17)18/h1-2H,(H2,9,10,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of cortical slice release at NMDA receptor.				J Med Chem 37: 4053-67 (1995) BindingDB Entry DOI: 10.7270/Q2JM28PT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2C (Rattus norvegicus (Rat))	BDBM50009093 (6-Chloro-3-ethoxycarbonylmethyl-1H-indole-2-carbox...) Show SMILES CCOC(=O)Cc1c([nH]c2cc(Cl)ccc12)C(O)=O Show InChI InChI=1S/C13H12ClNO4/c1-2-19-11(16)6-9-8-4-3-7(14)5-10(8)15-12(9)13(17)18/h3-5,15H,2,6H2,1H3,(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of oocytes at NMDA receptor				J Med Chem 37: 4053-67 (1995) BindingDB Entry DOI: 10.7270/Q2JM28PT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2C (Rattus norvegicus (Rat))	BDBM50001263 (5,7-Dichloro-4-hydroxy-3-(4-hydroxy-phenyl)-1H-qui...) Show SMILES Oc1ccc(cc1)-c1c(O)c2c(Cl)cc(Cl)cc2[nH]c1=O Show InChI InChI=1S/C15H9Cl2NO3/c16-8-5-10(17)13-11(6-8)18-15(21)12(14(13)20)7-1-3-9(19)4-2-7/h1-6,19H,(H2,18,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of spinal cord at NMDA receptor.				J Med Chem 37: 4053-67 (1995) BindingDB Entry DOI: 10.7270/Q2JM28PT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2C (Rattus norvegicus (Rat))	BDBM50004952 (3-(2-Carboxy-ethyl)-4,6-dichloro-1H-indole-2-carbo...) Show SMILES OC(=O)CCc1c([nH]c2cc(Cl)cc(Cl)c12)C(O)=O Show InChI InChI=1S/C12H9Cl2NO4/c13-5-3-7(14)10-6(1-2-9(16)17)11(12(18)19)15-8(10)4-5/h3-4,15H,1-2H2,(H,16,17)(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of cGMP cerebellar slice at NMDA receptor.				J Med Chem 37: 4053-67 (1995) BindingDB Entry DOI: 10.7270/Q2JM28PT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2C (Rattus norvegicus (Rat))	BDBM50009106 (3-Carboxymethyl-6-chloro-1H-indole-2-carboxylic ac...) Show SMILES OC(=O)Cc1c([nH]c2cc(Cl)ccc12)C(O)=O Show InChI InChI=1S/C11H8ClNO4/c12-5-1-2-6-7(4-9(14)15)10(11(16)17)13-8(6)3-5/h1-3,13H,4H2,(H,14,15)(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of oocytes at NMDA receptor				J Med Chem 37: 4053-67 (1995) BindingDB Entry DOI: 10.7270/Q2JM28PT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2C (Rattus norvegicus (Rat))	BDBM50030639 (CHEMBL126035 | N-(6,7-Dichloro-3-oxo-3,4-dihydro-q...) Show SMILES Clc1cc2nc(C(=O)NS(=O)(=O)c3ccccc3)c(=O)[nH]c2cc1Cl Show InChI InChI=1S/C15H9Cl2N3O4S/c16-9-6-11-12(7-10(9)17)19-14(21)13(18-11)15(22)20-25(23,24)8-4-2-1-3-5-8/h1-7H,(H,19,21)(H,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of cortical slice at NMDA receptor				J Med Chem 37: 4053-67 (1995) BindingDB Entry DOI: 10.7270/Q2JM28PT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2C (Rattus norvegicus (Rat))	BDBM50038160 (1-AMINOCYCLOBUTANECARBOXLIC ACID | 1-Amino-cyclobu...) Show SMILES NC1(CCC1)C(O)=O Show InChI InChI=1S/C5H9NO2/c6-5(4(7)8)2-1-3-5/h1-3,6H2,(H,7,8)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of oocytes at NMDA receptor.				J Med Chem 37: 4053-67 (1995) BindingDB Entry DOI: 10.7270/Q2JM28PT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2C (Rattus norvegicus (Rat))	BDBM50038178 ((+)-4-Amino-3-isoxazolidinone | (4R)-4-aminoisoxaz...) Show SMILES N[C@@H]1CON=C1O |r,c:4| Show InChI InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	1.81E+4	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of [3H]-TCP at NMDA receptor.				J Med Chem 37: 4053-67 (1995) BindingDB Entry DOI: 10.7270/Q2JM28PT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2C (Rattus norvegicus (Rat))	BDBM50004938 (3-Carboxymethylsulfanyl-4,6-dichloro-1H-indole-2-c...) Show SMILES OC(=O)CSc1c([nH]c2cc(Cl)cc(Cl)c12)C(O)=O Show InChI InChI=1S/C11H7Cl2NO4S/c12-4-1-5(13)8-6(2-4)14-9(11(17)18)10(8)19-3-7(15)16/h1-2,14H,3H2,(H,15,16)(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	1.40E+5	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of cortical slice at NMDA receptor				J Med Chem 37: 4053-67 (1995) BindingDB Entry DOI: 10.7270/Q2JM28PT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2C (Rattus norvegicus (Rat))	BDBM50038162 (5,7-Dinitro-1,4-dihydro-quinoxaline-2,3-dione | CH...) Show SMILES [O-][N+](=O)c1cc([N+]([O-])=O)c2[nH]c(=O)c(=[OH+])[n-]c2c1 Show InChI InChI=1S/C8H4N4O6/c13-7-8(14)10-6-4(9-7)1-3(11(15)16)2-5(6)12(17)18/h1-2H,(H2,9,10,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of [3H]-GABA release at NMDA receptor.				J Med Chem 37: 4053-67 (1995) BindingDB Entry DOI: 10.7270/Q2JM28PT
					More data for this Ligand-Target Pair