Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50029470   

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 1 (RAT)	BDBM50038047 (2-(9-Bromo-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-pyri...) Show SMILES Brc1cc2CCC(CC(=O)Nc3ccccc3)n3c2c(c1)[nH]c(=O)c3=O Show InChI InChI=1S/C19H16BrN3O3/c20-12-8-11-6-7-14(10-16(24)21-13-4-2-1-3-5-13)23-17(11)15(9-12)22-18(25)19(23)26/h1-5,8-9,14H,6-7,10H2,(H,21,24)(H,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand				Bioorg Med Chem Lett 5: 1533-1536 (1995) Article DOI: 10.1016/0960-894X(95)00244-N BindingDB Entry DOI: 10.7270/Q2FB52WG
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50284808 (2-((5R,6S)-9-Bromo-6-methyl-2,3-dioxo-2,3,6,7-tetr...) Show SMILES C[C@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n([C@@H]1CC(=O)Nc1ccccc1)c23 Show InChI InChI=1S/C20H18BrN3O3/c1-11-7-12-8-13(21)9-15-18(12)24(20(27)19(26)23-15)16(11)10-17(25)22-14-5-3-2-4-6-14/h2-6,8-9,11,16H,7,10H2,1H3,(H,22,25)(H,23,26)/t11-,16+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand				Bioorg Med Chem Lett 5: 1533-1536 (1995) Article DOI: 10.1016/0960-894X(95)00244-N BindingDB Entry DOI: 10.7270/Q2FB52WG
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50284815 (2-((S)-9-Chloro-6-methyl-2,3-dioxo-2,3,6,7-tetrahy...) Show SMILES C[C@H]1Cc2cc(Cl)cc3[nH]c(=O)c(=O)n(C1CC(=O)Nc1ccccc1)c23 Show InChI InChI=1S/C20H18ClN3O3/c1-11-7-12-8-13(21)9-15-18(12)24(20(27)19(26)23-15)16(11)10-17(25)22-14-5-3-2-4-6-14/h2-6,8-9,11,16H,7,10H2,1H3,(H,22,25)(H,23,26)/t11-,16?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand				Bioorg Med Chem Lett 5: 1533-1536 (1995) Article DOI: 10.1016/0960-894X(95)00244-N BindingDB Entry DOI: 10.7270/Q2FB52WG
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50284801 (((5R,6S)-9-Bromo-6-methyl-2,3-dioxo-2,3,6,7-tetrah...) Show SMILES C[C@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n([C@@H]1CC(O)=O)c23 Show InChI InChI=1S/C14H13BrN2O4/c1-6-2-7-3-8(15)4-9-12(7)17(10(6)5-11(18)19)14(21)13(20)16-9/h3-4,6,10H,2,5H2,1H3,(H,16,20)(H,18,19)/t6-,10+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand				Bioorg Med Chem Lett 5: 1533-1536 (1995) Article DOI: 10.1016/0960-894X(95)00244-N BindingDB Entry DOI: 10.7270/Q2FB52WG
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50284813 (((S)-9-Chloro-6-methyl-2,3-dioxo-2,3,6,7-tetrahydr...) Show SMILES C[C@H]1Cc2cc(Cl)cc3[nH]c(=O)c(=O)n(C1CC(O)=O)c23 Show InChI InChI=1S/C14H13ClN2O4/c1-6-2-7-3-8(15)4-9-12(7)17(10(6)5-11(18)19)14(21)13(20)16-9/h3-4,6,10H,2,5H2,1H3,(H,16,20)(H,18,19)/t6-,10?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand				Bioorg Med Chem Lett 5: 1533-1536 (1995) Article DOI: 10.1016/0960-894X(95)00244-N BindingDB Entry DOI: 10.7270/Q2FB52WG
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50284817 ((9-Chloro-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-pyrid...) Show SMILES OC(=O)CC1CCc2cc(Cl)cc3[nH]c(=O)c(=O)n1c23 Show InChI InChI=1S/C13H11ClN2O4/c14-7-3-6-1-2-8(5-10(17)18)16-11(6)9(4-7)15-12(19)13(16)20/h3-4,8H,1-2,5H2,(H,15,19)(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand				Bioorg Med Chem Lett 5: 1533-1536 (1995) Article DOI: 10.1016/0960-894X(95)00244-N BindingDB Entry DOI: 10.7270/Q2FB52WG
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50284818 (2-(9-Chloro-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-pyr...) Show SMILES Clc1cc2CCC(CC(=O)Nc3ccccc3)n3c2c(c1)[nH]c(=O)c3=O Show InChI InChI=1S/C19H16ClN3O3/c20-12-8-11-6-7-14(10-16(24)21-13-4-2-1-3-5-13)23-17(11)15(9-12)22-18(25)19(23)26/h1-5,8-9,14H,6-7,10H2,(H,21,24)(H,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand				Bioorg Med Chem Lett 5: 1533-1536 (1995) Article DOI: 10.1016/0960-894X(95)00244-N BindingDB Entry DOI: 10.7270/Q2FB52WG
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50038043 ((9-Bromo-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-pyrido...) Show SMILES OC(=O)CC1CCc2cc(Br)cc3[nH]c(=O)c(=O)n1c23 Show InChI InChI=1S/C13H11BrN2O4/c14-7-3-6-1-2-8(5-10(17)18)16-11(6)9(4-7)15-12(19)13(16)20/h3-4,8H,1-2,5H2,(H,15,19)(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	9.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand				Bioorg Med Chem Lett 5: 1533-1536 (1995) Article DOI: 10.1016/0960-894X(95)00244-N BindingDB Entry DOI: 10.7270/Q2FB52WG
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50284814 ((9-Iodo-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-pyrido[...) Show SMILES OC(=O)CC1CCc2cc(I)cc3[nH]c(=O)c(=O)n1c23 Show InChI InChI=1S/C13H11IN2O4/c14-7-3-6-1-2-8(5-10(17)18)16-11(6)9(4-7)15-12(19)13(16)20/h3-4,8H,1-2,5H2,(H,15,19)(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand				Bioorg Med Chem Lett 5: 1533-1536 (1995) Article DOI: 10.1016/0960-894X(95)00244-N BindingDB Entry DOI: 10.7270/Q2FB52WG
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50284816 (2-(9-Iodo-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-pyrid...) Show SMILES Ic1cc2CCC(CC(=O)Nc3ccccc3)n3c2c(c1)[nH]c(=O)c3=O Show InChI InChI=1S/C19H16IN3O3/c20-12-8-11-6-7-14(10-16(24)21-13-4-2-1-3-5-13)23-17(11)15(9-12)22-18(25)19(23)26/h1-5,8-9,14H,6-7,10H2,(H,21,24)(H,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	134	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand				Bioorg Med Chem Lett 5: 1533-1536 (1995) Article DOI: 10.1016/0960-894X(95)00244-N BindingDB Entry DOI: 10.7270/Q2FB52WG
					More data for this Ligand-Target Pair