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Compile Data Set for Download or QSAR

Found 215 hits Enz. Inhib. hit(s) with Target = 'Ionotropic glutamate receptor NMDA 1/2D'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Glutamate receptor ionotropic, NMDA 2D


(Homo sapiens (Human))		BDBM50436060
PNG
(CHEMBL2397100 | US10273214, Example 1390)
Show SMILES COc1ccc(OCC2N(CCc3cc(OC)c(OC)cc23)C(=O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C26H26ClNO5/c1-30-20-7-9-21(10-8-20)33-16-23-22-15-25(32-3)24(31-2)14-17(22)11-12-28(23)26(29)18-5-4-6-19(27)13-18/h4-10,13-15,23H,11-12,16H2,1-3H3
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n/an/an/an/a 2.80E+3n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GluN2D receptor (unknown origin) expressed in xenopus laevis oocytes assessed as increase in glycine-induced channe...

J Med Chem 62: 3-23 (2019)


Article DOI: 10.1021/acs.jmedchem.7b01640
BindingDB Entry DOI: 10.7270/Q2N019RG
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2D


(Homo sapiens (Human))		CHEMBL5273123
PNG
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n/an/an/an/a 5.10E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2D


(Homo sapiens (Human))		BDBM50503147
PNG
(CHEMBL4435232)
Show SMILES CCCc1nc2[nH]c(C)c(NS(=O)(=O)c3ccc(cc3)C3CCCCC3)c(=O)n2n1
Show InChI InChI=1S/C21H27N5O3S/c1-3-7-18-23-21-22-14(2)19(20(27)26(21)24-18)25-30(28,29)17-12-10-16(11-13-17)15-8-5-4-6-9-15/h10-13,15,25H,3-9H2,1-2H3,(H,22,23,24)
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n/an/an/an/a 6.70E+3n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GluN2D receptor (unknown origin) expressed in xenopus laevis oocytes assessed as increase in glycine-induced channe...

J Med Chem 62: 3-23 (2019)


Article DOI: 10.1021/acs.jmedchem.7b01640
BindingDB Entry DOI: 10.7270/Q2N019RG
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2D


(Homo sapiens (Human))		BDBM50379184
PNG
(CHEMBL2010868)
Show SMILES OC(=O)c1cc2cccc(O)c2cc1O
Show InChI InChI=1S/C11H8O4/c12-9-3-1-2-6-4-8(11(14)15)10(13)5-7(6)9/h1-5,12-13H,(H,14,15)
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n/an/an/an/a 1.00E+4n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GluN2D receptor (unknown origin) expressed in xenopus laevis oocytes assessed as increase in glycine-induced channe...

J Med Chem 62: 3-23 (2019)


Article DOI: 10.1021/acs.jmedchem.7b01640
BindingDB Entry DOI: 10.7270/Q2N019RG
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2D


(Homo sapiens (Human))		BDBM50503152
PNG
(CHEMBL4452216)
Show SMILES CC(C)CCCc1ccc2cc(ccc2c1)C(O)=O
Show InChI InChI=1S/C17H20O2/c1-12(2)4-3-5-13-6-7-15-11-16(17(18)19)9-8-14(15)10-13/h6-12H,3-5H2,1-2H3,(H,18,19)
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n/an/an/an/a 2.90E+4n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GluN2D receptor (unknown origin) expressed in xenopus laevis oocytes assessed as increase in glycine-induced channe...

J Med Chem 62: 3-23 (2019)


Article DOI: 10.1021/acs.jmedchem.7b01640
BindingDB Entry DOI: 10.7270/Q2N019RG
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2D


(Homo sapiens (Human))		BDBM50503144
PNG
(CHEBI:35420 | CHEMBL1179605)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OS(O)(=O)=O |t:19|
Show InChI InChI=1S/C21H32O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3,(H,23,24,25)/t15-,16-,17+,18-,19-,20-,21+/m0/s1
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n/an/an/an/a 7.80E+4n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Positive allosteric modulation of EGFP-fused human GluN2D receptor expressed in HEK293T cells assessed as increase in glycine-induced channel current...

J Med Chem 62: 3-23 (2019)


Article DOI: 10.1021/acs.jmedchem.7b01640
BindingDB Entry DOI: 10.7270/Q2N019RG
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM50122594
PNG
(4,6-Dichloro-3-[(3-phenyl-ureido)-methyl]-1H-indol...)
Show SMILES OC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1CNC(=O)Nc1ccccc1
Show InChI InChI=1S/C17H13Cl2N3O3/c18-9-6-12(19)14-11(15(16(23)24)22-13(14)7-9)8-20-17(25)21-10-4-2-1-3-5-10/h1-7,22H,8H2,(H,23,24)(H2,20,21,25)
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 14n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universität

Curated by ChEMBL


Assay Description
Tested for the affinity for the glycine binding site of the N-methyl-D-aspartate glutamate receptor using pig brain membranes in binding assay with [...

J Med Chem 46: 64-73 (2002)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM50122590
PNG
(4,6-Dichloro-3-(2,4-dioxo-3-phenyl-imidazolidin-1-...)
Show SMILES OC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1Cn1cc(O)n(-c2ccccc2)c1=O
Show InChI InChI=1S/C19H13Cl2N3O4/c20-10-6-13(21)16-12(17(18(26)27)22-14(16)7-10)8-23-9-15(25)24(19(23)28)11-4-2-1-3-5-11/h1-7,9,22,25H,8H2,(H,26,27)
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 22n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universität

Curated by ChEMBL


Assay Description
Tested for the affinity for the glycine binding site of the N-methyl-D-aspartate glutamate receptor using pig brain membranes in binding assay with [...

J Med Chem 46: 64-73 (2002)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM50122611
PNG
(4,6-Dichloro-3-(2,4-dioxo-3-p-tolyl-imidazolidin-1...)
Show SMILES Cc1ccc(cc1)-n1c(O)cn(Cc2c([nH]c3cc(Cl)cc(Cl)c23)C(O)=O)c1=O
Show InChI InChI=1S/C20H15Cl2N3O4/c1-10-2-4-12(5-3-10)25-16(26)9-24(20(25)29)8-13-17-14(22)6-11(21)7-15(17)23-18(13)19(27)28/h2-7,9,23,26H,8H2,1H3,(H,27,28)
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 36n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universität

Curated by ChEMBL


Assay Description
Tested for the affinity for the glycine binding site of the N-methyl-D-aspartate glutamate receptor using pig brain membranes in binding assay with [...

J Med Chem 46: 64-73 (2002)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM50122606
PNG
(4,6-Dichloro-3-(2,4-dioxo-3-m-tolyl-imidazolidin-1...)
Show SMILES Cc1cccc(c1)-n1c(O)cn(Cc2c([nH]c3cc(Cl)cc(Cl)c23)C(O)=O)c1=O
Show InChI InChI=1S/C20H15Cl2N3O4/c1-10-3-2-4-12(5-10)25-16(26)9-24(20(25)29)8-13-17-14(22)6-11(21)7-15(17)23-18(13)19(27)28/h2-7,9,23,26H,8H2,1H3,(H,27,28)
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 45n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universität

Curated by ChEMBL


Assay Description
Tested for the affinity for the glycine binding site of the N-methyl-D-aspartate glutamate receptor using pig brain membranes in binding assay with [...

J Med Chem 46: 64-73 (2002)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM50122598
PNG
(4,6-Dichloro-3-[3-(4-fluoro-phenyl)-2,4-dioxo-imid...)
Show SMILES OC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1Cn1cc(O)n(-c2ccc(F)cc2)c1=O
Show InChI InChI=1S/C19H12Cl2FN3O4/c20-9-5-13(21)16-12(17(18(27)28)23-14(16)6-9)7-24-8-15(26)25(19(24)29)11-3-1-10(22)2-4-11/h1-6,8,23,26H,7H2,(H,27,28)
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 53n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universität

Curated by ChEMBL


Assay Description
Tested for the affinity for the glycine binding site of the N-methyl-D-aspartate glutamate receptor using pig brain membranes in binding assay with [...

J Med Chem 46: 64-73 (2002)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM50122602
PNG
(3-[3-(3-Acetyl-phenyl)-2,4-dioxo-imidazolidin-1-yl...)
Show SMILES CC(=O)c1cccc(c1)-n1c(O)cn(Cc2c([nH]c3cc(Cl)cc(Cl)c23)C(O)=O)c1=O
Show InChI InChI=1S/C21H15Cl2N3O5/c1-10(27)11-3-2-4-13(5-11)26-17(28)9-25(21(26)31)8-14-18-15(23)6-12(22)7-16(18)24-19(14)20(29)30/h2-7,9,24,28H,8H2,1H3,(H,29,30)
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 57n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universität

Curated by ChEMBL


Assay Description
Tested for the affinity for the glycine binding site of the N-methyl-D-aspartate glutamate receptor using pig brain membranes in binding assay with [...

J Med Chem 46: 64-73 (2002)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM50122601
PNG
(4,6-Dichloro-3-(2-oxo-3-phenyl-imidazolidin-1-ylme...)
Show SMILES OC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1CN1CCN(C1=O)c1ccccc1
Show InChI InChI=1S/C19H15Cl2N3O3/c20-11-8-14(21)16-13(17(18(25)26)22-15(16)9-11)10-23-6-7-24(19(23)27)12-4-2-1-3-5-12/h1-5,8-9,22H,6-7,10H2,(H,25,26)
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 58n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universität

Curated by ChEMBL


Assay Description
Tested for the affinity for the glycine binding site of the N-methyl-D-aspartate glutamate receptor using pig brain membranes in binding assay with [...

J Med Chem 46: 64-73 (2002)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM557699
PNG
(US11358971, Compound 1h | US11466027, Compound 1l)
Show SMILES N[C@H](CNC(=O)c1cc2nccc(Br)c2s1)C(O)=O
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 63n/an/an/an/an/an/an/an/a


TBA

Assay Description
To determine the affinity of the compounds of the present invention a SPA is used. The assay is run in a 384-plate format (OptiPlate-384) where each ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2V98C93
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM50122591
PNG
(4,6-dichloro-3-[({[(phenylsulfonyl)amino]carbonyl}...)
Show SMILES OC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1CNC(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H13Cl2N3O5S/c18-9-6-12(19)14-11(15(16(23)24)21-13(14)7-9)8-20-17(25)22-28(26,27)10-4-2-1-3-5-10/h1-7,21H,8H2,(H,23,24)(H2,20,22,25)
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 72n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universität

Curated by ChEMBL


Assay Description
Tested for the affinity for the glycine binding site of the N-methyl-D-aspartate glutamate receptor using pig brain membranes in binding assay with [...

J Med Chem 46: 64-73 (2002)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM50122610
PNG
(4,6-Dichloro-3-[3-(3,5-dichloro-phenyl)-2,4-dioxo-...)
Show SMILES OC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1Cn1cc(O)n(-c2cc(Cl)cc(Cl)c2)c1=O
Show InChI InChI=1S/C19H11Cl4N3O4/c20-8-1-9(21)3-11(2-8)26-15(27)7-25(19(26)30)6-12-16-13(23)4-10(22)5-14(16)24-17(12)18(28)29/h1-5,7,24,27H,6H2,(H,28,29)
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 80n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universität

Curated by ChEMBL


Assay Description
Tested for the affinity for the glycine binding site of the N-methyl-D-aspartate glutamate receptor using pig brain membranes in binding assay with [...

J Med Chem 46: 64-73 (2002)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM50122608
PNG
(4,6-Dichloro-3-[3-(3-chloro-phenyl)-2,4-dioxo-imid...)
Show SMILES OC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1Cn1cc(O)n(-c2cccc(Cl)c2)c1=O
Show InChI InChI=1S/C19H12Cl3N3O4/c20-9-2-1-3-11(4-9)25-15(26)8-24(19(25)29)7-12-16-13(22)5-10(21)6-14(16)23-17(12)18(27)28/h1-6,8,23,26H,7H2,(H,27,28)
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 85n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universität

Curated by ChEMBL


Assay Description
Tested for the affinity for the glycine binding site of the N-methyl-D-aspartate glutamate receptor using pig brain membranes in binding assay with [...

J Med Chem 46: 64-73 (2002)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM557694
PNG
(US11358971, Compound 1c | US11466027, Compound 1e)
Show SMILES Cc1ccnc2cc(sc12)C(=O)NC[C@@H](N)C(O)=O
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 96n/an/an/an/an/an/an/an/a


TBA

Assay Description
To determine the affinity of the compounds of the present invention a SPA is used. The assay is run in a 384-plate format (OptiPlate-384) where each ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2V98C93
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM50122593
PNG
(4,6-Dichloro-3-[3-(4-methoxy-phenyl)-2,4-dioxo-imi...)
Show SMILES COc1ccc(cc1)-n1c(O)cn(Cc2c([nH]c3cc(Cl)cc(Cl)c23)C(O)=O)c1=O
Show InChI InChI=1S/C20H15Cl2N3O5/c1-30-12-4-2-11(3-5-12)25-16(26)9-24(20(25)29)8-13-17-14(22)6-10(21)7-15(17)23-18(13)19(27)28/h2-7,9,23,26H,8H2,1H3,(H,27,28)
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 100n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universität

Curated by ChEMBL


Assay Description
Tested for the affinity for the glycine binding site of the N-methyl-D-aspartate glutamate receptor using pig brain membranes in binding assay with [...

J Med Chem 46: 64-73 (2002)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM50122600
PNG
(4,6-Dichloro-3-[3-(4-chloro-phenyl)-2,4-dioxo-imid...)
Show SMILES OC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1Cn1cc(O)n(-c2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C19H12Cl3N3O4/c20-9-1-3-11(4-2-9)25-15(26)8-24(19(25)29)7-12-16-13(22)5-10(21)6-14(16)23-17(12)18(27)28/h1-6,8,23,26H,7H2,(H,27,28)
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 120n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universität

Curated by ChEMBL


Assay Description
Tested for the affinity for the glycine binding site of the N-methyl-D-aspartate glutamate receptor using pig brain membranes in binding assay with [...

J Med Chem 46: 64-73 (2002)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM50122596
PNG
(3-(Benzoylamino-methyl)-4,6-dichloro-1H-indole-2-c...)
Show SMILES OC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1CNC(=O)c1ccccc1
Show InChI InChI=1S/C17H12Cl2N2O3/c18-10-6-12(19)14-11(15(17(23)24)21-13(14)7-10)8-20-16(22)9-4-2-1-3-5-9/h1-7,21H,8H2,(H,20,22)(H,23,24)
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 120n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universität

Curated by ChEMBL


Assay Description
Tested for the affinity for the glycine binding site of the N-methyl-D-aspartate glutamate receptor using pig brain membranes in binding assay with [...

J Med Chem 46: 64-73 (2002)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM50122605
PNG
(4,6-Dichloro-3-(3-cyclohexyl-2,4-dioxo-imidazolidi...)
Show SMILES OC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1Cn1cc(O)n(C2CCCCC2)c1=O
Show InChI InChI=1S/C19H19Cl2N3O4/c20-10-6-13(21)16-12(17(18(26)27)22-14(16)7-10)8-23-9-15(25)24(19(23)28)11-4-2-1-3-5-11/h6-7,9,11,22,25H,1-5,8H2,(H,26,27)
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 130n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universität

Curated by ChEMBL


Assay Description
Tested for the affinity for the glycine binding site of the N-methyl-D-aspartate glutamate receptor using pig brain membranes in binding assay with [...

J Med Chem 46: 64-73 (2002)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM557693
PNG
(US11358971, Compound 1b | US11466027, Compound 1d)
Show SMILES N[C@H](CNC(=O)c1cc2nccc(C3CC3)c2s1)C(O)=O
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 140n/an/an/an/an/an/an/an/a


TBA

Assay Description
To determine the affinity of the compounds of the present invention a SPA is used. The assay is run in a 384-plate format (OptiPlate-384) where each ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2V98C93
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM50122603
PNG
(3-[3-(4-Acetyl-phenyl)-2,4-dioxo-imidazolidin-1-yl...)
Show SMILES CC(=O)c1ccc(cc1)-n1c(O)cn(Cc2c([nH]c3cc(Cl)cc(Cl)c23)C(O)=O)c1=O
Show InChI InChI=1S/C21H15Cl2N3O5/c1-10(27)11-2-4-13(5-3-11)26-17(28)9-25(21(26)31)8-14-18-15(23)6-12(22)7-16(18)24-19(14)20(29)30/h2-7,9,24,28H,8H2,1H3,(H,29,30)
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 150n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universität

Curated by ChEMBL


Assay Description
Tested for the affinity for the glycine binding site of the N-methyl-D-aspartate glutamate receptor using pig brain membranes in binding assay with [...

J Med Chem 46: 64-73 (2002)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM557667
PNG
(US11358971, Compound 1a | US11466027, Compound 1c)
Show SMILES N[C@H](CNC(=O)c1cc2nccc(C(F)F)c2s1)C(O)=O
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 170n/an/an/an/an/an/an/an/a


TBA

Assay Description
To determine the affinity of the compounds of the present invention a SPA is used. The assay is run in a 384-plate format (OptiPlate-384) where each ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2V98C93
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM557701
PNG
(US11358971, Compound 1j | US11466027, Compound 1n)
Show SMILES N[C@H](CNC(=O)c1cc2nccc(CF)c2s1)C(O)=O
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 180n/an/an/an/an/an/an/an/a


TBA

Assay Description
To determine the affinity of the compounds of the present invention a SPA is used. The assay is run in a 384-plate format (OptiPlate-384) where each ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2V98C93
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM557698
PNG
(US11358971, Compound 1g | US11466027, Compound 1k)
Show SMILES CC(C)Oc1ccnc2cc(sc12)C(=O)NC[C@@H](N)C(O)=O
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 220n/an/an/an/an/an/an/an/a


TBA

Assay Description
To determine the affinity of the compounds of the present invention a SPA is used. The assay is run in a 384-plate format (OptiPlate-384) where each ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2V98C93
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM557702
PNG
(US11358971, Compound 1k | US11466027, Compound 1o)
Show SMILES Cc1c(F)cnc2cc(sc12)C(=O)NC[C@@H](N)C(O)=O
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 260n/an/an/an/an/an/an/an/a


TBA

Assay Description
To determine the affinity of the compounds of the present invention a SPA is used. The assay is run in a 384-plate format (OptiPlate-384) where each ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2V98C93
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM50122609
PNG
(4,6-Dichloro-3-(5-methyl-2,4-dioxo-3-phenyl-imidaz...)
Show SMILES Cc1c(O)n(-c2ccccc2)c(=O)n1Cc1c([nH]c2cc(Cl)cc(Cl)c12)C(O)=O
Show InChI InChI=1S/C20H15Cl2N3O4/c1-10-18(26)25(12-5-3-2-4-6-12)20(29)24(10)9-13-16-14(22)7-11(21)8-15(16)23-17(13)19(27)28/h2-8,23,26H,9H2,1H3,(H,27,28)
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 310n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universität

Curated by ChEMBL


Assay Description
Tested for the affinity for the glycine binding site of the N-methyl-D-aspartate glutamate receptor using pig brain membranes in binding assay with [...

J Med Chem 46: 64-73 (2002)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM557697
PNG
(US11358971, Compound 1f | US11466027, Compound 1i)
Show SMILES N[C@H](CNC(=O)c1cc2nccc(c2s1)C(F)(F)F)C(O)=O
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 360n/an/an/an/an/an/an/an/a


TBA

Assay Description
To determine the affinity of the compounds of the present invention a SPA is used. The assay is run in a 384-plate format (OptiPlate-384) where each ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2V98C93
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM557703
PNG
(US11358971, Compound 1l | US11466027, Compound 1p)
Show SMILES Cc1cnc2cc(sc2c1C)C(=O)NC[C@@H](N)C(O)=O
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 490n/an/an/an/an/an/an/an/a


TBA

Assay Description
To determine the affinity of the compounds of the present invention a SPA is used. The assay is run in a 384-plate format (OptiPlate-384) where each ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2V98C93
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM50122595
PNG
(4,6-Dichloro-3-(4-oxo-3-phenyl-2-thioxo-imidazolid...)
Show SMILES OC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1Cn1cc(O)n(-c2ccccc2)c1=S
Show InChI InChI=1S/C19H13Cl2N3O3S/c20-10-6-13(21)16-12(17(18(26)27)22-14(16)7-10)8-23-9-15(25)24(19(23)28)11-4-2-1-3-5-11/h1-7,9,22,25H,8H2,(H,26,27)
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 580n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universität

Curated by ChEMBL


Assay Description
Tested for the affinity for the glycine binding site of the N-methyl-D-aspartate glutamate receptor using pig brain membranes in binding assay with [...

J Med Chem 46: 64-73 (2002)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM557696
PNG
(US11358971, Compound 1e | US11466027, Compound 1h)
Show SMILES COc1ccnc2cc(sc12)C(=O)NC[C@@H](N)C(O)=O
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 690n/an/an/an/an/an/an/an/a


TBA

Assay Description
To determine the affinity of the compounds of the present invention a SPA is used. The assay is run in a 384-plate format (OptiPlate-384) where each ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2V98C93
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM557695
PNG
(US11358971, Compound 1d | US11466027, Compound 1g)
Show SMILES CCc1ccccc1-c1ccnc2cc(sc12)C(=O)NC[C@@H](N)C(O)=O
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 860n/an/an/an/an/an/an/an/a


TBA

Assay Description
To determine the affinity of the compounds of the present invention a SPA is used. The assay is run in a 384-plate format (OptiPlate-384) where each ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2V98C93
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM50122604
PNG
(3-(Benzenesulfonylamino-methyl)-4,6-dichloro-1H-in...)
Show SMILES OC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1CNS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H12Cl2N2O4S/c17-9-6-12(18)14-11(15(16(21)22)20-13(14)7-9)8-19-25(23,24)10-4-2-1-3-5-10/h1-7,19-20H,8H2,(H,21,22)
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 990n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universität

Curated by ChEMBL


Assay Description
Tested for the affinity for the glycine binding site of the N-methyl-D-aspartate glutamate receptor using pig brain membranes in binding assay with [...

J Med Chem 46: 64-73 (2002)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM50122599
PNG
(4,6-Dichloro-3-(3-ethyl-2,4-dioxo-imidazolidin-1-y...)
Show SMILES CCn1c(O)cn(Cc2c([nH]c3cc(Cl)cc(Cl)c23)C(O)=O)c1=O
Show InChI InChI=1S/C15H13Cl2N3O4/c1-2-20-11(21)6-19(15(20)24)5-8-12-9(17)3-7(16)4-10(12)18-13(8)14(22)23/h3-4,6,18,21H,2,5H2,1H3,(H,22,23)
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 1.00E+3n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universität

Curated by ChEMBL


Assay Description
Tested for the affinity for the glycine binding site of the N-methyl-D-aspartate glutamate receptor using pig brain membranes in binding assay with [...

J Med Chem 46: 64-73 (2002)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM50171290
PNG
(5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-ethyl...)
Show SMILES CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H23BrCl2N4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-29)27-30(20-11-10-17(25)14-19(20)26)22(18)15-6-8-16(24)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)
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 1.00E+3n/an/an/an/an/an/an/an/a



Sanofi-Synthelabo Recherche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 905-14 (2004)


Article DOI: 10.1124/jpet.104.067884
BindingDB Entry DOI: 10.7270/Q2RR1WTX
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM50171290
PNG
(5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-ethyl...)
Show SMILES CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H23BrCl2N4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-29)27-30(20-11-10-17(25)14-19(20)26)22(18)15-6-8-16(24)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)
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 1.00E+3n/an/an/an/an/an/an/an/a



Sanofi-Synthelabo Recherche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 905-14 (2004)


Article DOI: 10.1124/jpet.104.067884
BindingDB Entry DOI: 10.7270/Q2RR1WTX
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM50122592
PNG
(4,6-Dichloro-3-(3-isopropyl-2,4-dioxo-imidazolidin...)
Show SMILES CC(C)n1c(O)cn(Cc2c([nH]c3cc(Cl)cc(Cl)c23)C(O)=O)c1=O
Show InChI InChI=1S/C16H15Cl2N3O4/c1-7(2)21-12(22)6-20(16(21)25)5-9-13-10(18)3-8(17)4-11(13)19-14(9)15(23)24/h3-4,6-7,19,22H,5H2,1-2H3,(H,23,24)
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 1.05E+3n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universität

Curated by ChEMBL


Assay Description
Tested for the affinity for the glycine binding site of the N-methyl-D-aspartate glutamate receptor using pig brain membranes in binding assay with [...

J Med Chem 46: 64-73 (2002)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM50122597
PNG
(4,6-Dichloro-3-(5-isopropyl-2,4-dioxo-3-phenyl-imi...)
Show SMILES CC(C)c1c(O)n(-c2ccccc2)c(=O)n1Cc1c([nH]c2cc(Cl)cc(Cl)c12)C(O)=O
Show InChI InChI=1S/C22H19Cl2N3O4/c1-11(2)19-20(28)27(13-6-4-3-5-7-13)22(31)26(19)10-14-17-15(24)8-12(23)9-16(17)25-18(14)21(29)30/h3-9,11,25,28H,10H2,1-2H3,(H,29,30)
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 1.10E+3n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universität

Curated by ChEMBL


Assay Description
Tested for the affinity for the glycine binding site of the N-methyl-D-aspartate glutamate receptor using pig brain membranes in binding assay with [...

J Med Chem 46: 64-73 (2002)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM50001000
PNG
(CHEBI:29133 | DEXTRORPHAN | US11535596, Compound D...)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCCC[C@]13[H])CCN2C |r,THB:20:19:15:2.9.3|
Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m1/s1
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 1.11E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro binding assays for the phencyclidine site of NMDA-type glutamate receptors, and for sigma-1 receptors, both of which are known to be bound b...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2086945
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM50004960
PNG
(4,6-Dichloro-1H-indole-2-carboxylic acid | CHEMBL3...)
Show SMILES OC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1
Show InChI InChI=1S/C9H5Cl2NO2/c10-4-1-6(11)5-3-8(9(13)14)12-7(5)2-4/h1-3,12H,(H,13,14)
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 2.90E+3n/an/an/an/an/an/an/an/a



Johannes Gutenberg-Universität

Curated by ChEMBL


Assay Description
Tested for the affinity for the glycine binding site of the N-methyl-D-aspartate glutamate receptor using pig brain membranes in binding assay with [...

J Med Chem 46: 64-73 (2002)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM587521
PNG
(US11535596, Compound N-desmethyl CNS1-D2)
Show SMILES FC(F)COc1ccc2CC3NCCC4(CCCCC34)c2c1 |THB:21:20:19:11.13.12|
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 3.08E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro binding assays for the phencyclidine site of NMDA-type glutamate receptors, and for sigma-1 receptors, both of which are known to be bound b...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2086945
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM587508
PNG
(US11535596, Compound CNS22)
Show SMILES COc1ccc2C=CC3CCCCC3(CN(C)CC=C)c2c1 |c:6|
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 3.81E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro binding assays for the phencyclidine site of NMDA-type glutamate receptors, and for sigma-1 receptors, both of which are known to be bound b...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2086945
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM557700
PNG
(US11358971, Compound 1i | US11466027, Compound 1m)
Show SMILES N[C@H](CNC(=O)c1cc2nccc(CO)c2s1)C(O)=O
PDB

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US Patent
 3.90E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
To determine the affinity of the compounds of the present invention a SPA is used. The assay is run in a 384-plate format (OptiPlate-384) where each ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2V98C93
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM213826
PNG
(Dextromethorphan | US11535596, Compound Dextrometh...)
Show SMILES COc1ccc2C[C@@H]3[C@H]4CCCC[C@]4(CCN3C)c2c1 |THB:17:16:8:18.6.5|
Show InChI InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17-,18-/m1/s1
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 4.52E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro binding assays for the phencyclidine site of NMDA-type glutamate receptors, and for sigma-1 receptors, both of which are known to be bound b...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2086945
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM587516
PNG
(US11535596, Compound CNS1-D5)
Show SMILES Oc1ccc2CC3NCCC4(CCCCC34)c2c1 |THB:17:16:15:7.9.8|
PDB

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 9.90E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro binding assays for the phencyclidine site of NMDA-type glutamate receptors, and for sigma-1 receptors, both of which are known to be bound b...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2086945
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM21280
PNG
(5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)met...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1 |r,TLB:21:22:28:26.25|
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22?,27?,29-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Sanofi Recherche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 284: 644-50 (1998)


BindingDB Entry DOI: 10.7270/Q2D50KHT
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM21280
PNG
(5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)met...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1 |r,TLB:21:22:28:26.25|
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22?,27?,29-/m0/s1
PDB

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>1.00E+4n/an/an/an/an/an/an/an/a



Sanofi Recherche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 284: 644-50 (1998)


BindingDB Entry DOI: 10.7270/Q2D50KHT
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))		BDBM50006607
PNG
(CHEMBL3235465 | US9604926, Compound SN-79 | US9724...)
Show SMILES CC(=O)c1ccc2n(CCCCN3CCN(CC3)c3ccc(F)cc3)c(=O)oc2c1
Show InChI InChI=1S/C23H26FN3O3/c1-17(28)18-4-9-21-22(16-18)30-23(29)27(21)11-3-2-10-25-12-14-26(15-13-25)20-7-5-19(24)6-8-20/h4-9,16H,2-3,10-15H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...

US Patent US9604926 (2017)


BindingDB Entry DOI: 10.7270/Q27D2X6J
More data for this
Ligand-Target Pair
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