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Compile Data Set for Download or QSAR

Found 131 hits Enz. Inhib. hit(s) with Target = 'NMDA' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
NMDA


()
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)

More data for this
Ligand-Target Pair
NMDA


()
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)

More data for this
Ligand-Target Pair
NMDA


()
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)

More data for this
Ligand-Target Pair
NMDA


()
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)

More data for this
Ligand-Target Pair
NMDA


()
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)

More data for this
Ligand-Target Pair
NMDA


()
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)

More data for this
Ligand-Target Pair
NMDA


()
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)

More data for this
Ligand-Target Pair
NMDA


()
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)

More data for this
Ligand-Target Pair
NMDA


()
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)

More data for this
Ligand-Target Pair
NMDA


()
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)

More data for this
Ligand-Target Pair
NMDA


()
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)

More data for this
Ligand-Target Pair
NMDA


()
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)

More data for this
Ligand-Target Pair
NMDA


()
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)

More data for this
Ligand-Target Pair
NMDA


()
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)

More data for this
Ligand-Target Pair
NMDA


()
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)

More data for this
Ligand-Target Pair
NMDA


()
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)

More data for this
Ligand-Target Pair
NMDA


()
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)

More data for this
Ligand-Target Pair
NMDA


()
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)

More data for this
Ligand-Target Pair
NMDA


()
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)

More data for this
Ligand-Target Pair
NMDA


()
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)

More data for this
Ligand-Target Pair
NMDA


()
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)

More data for this
Ligand-Target Pair
NMDA


()
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)

More data for this
Ligand-Target Pair
NMDA


()
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)

More data for this
Ligand-Target Pair
NMDA


()
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)

More data for this
Ligand-Target Pair
NMDA


()
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
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)

More data for this
Ligand-Target Pair
NMDA


()
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
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)

More data for this
Ligand-Target Pair
NMDA


()
BDBM50122607
PNG
(3-(Benzylamino-methyl)-4,6-dichloro-1H-indole-2-ca...)
Show SMILES OC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1CNCc1ccccc1
Show InChI InChI=1S/C17H14Cl2N2O2/c18-11-6-13(19)15-12(16(17(22)23)21-14(15)7-11)9-20-8-10-4-2-1-3-5-10/h1-7,20-21H,8-9H2,(H,22,23)
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9.20E+4n/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)

More data for this
Ligand-Target Pair
NMDA


()
BDBM50215294
PNG
(2-(N-(6-chloro-7-methyl-2,3-dioxo-1,2,3,4-tetrahyd...)
Show SMILES Cc1cc2[nH]c(=O)c(=O)[nH]c2c(N(CC(O)=O)S(C)(=O)=O)c1Cl
Show InChI InChI=1S/C12H12ClN3O6S/c1-5-3-6-9(15-12(20)11(19)14-6)10(8(5)13)16(4-7(17)18)23(2,21)22/h3H,4H2,1-2H3,(H,14,19)(H,15,20)(H,17,18)
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n/an/a 1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human NMDA NR1 receptor


Bioorg Med Chem Lett 17: 4599-603 (2007)

More data for this
Ligand-Target Pair
NMDA


()
BDBM50215284
PNG
(2-(N-(7-chloro-6-methyl-2,3-dioxo-1,2,3,4-tetrahyd...)
Show SMILES Cc1c(Cl)cc2[nH]c(=O)c(=O)[nH]c2c1N(CC(O)=O)S(C)(=O)=O
Show InChI InChI=1S/C12H12ClN3O6S/c1-5-6(13)3-7-9(15-12(20)11(19)14-7)10(5)16(4-8(17)18)23(2,21)22/h3H,4H2,1-2H3,(H,14,19)(H,15,20)(H,17,18)
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n/an/a 2n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human NMDA NR1 receptor


Bioorg Med Chem Lett 17: 4599-603 (2007)

More data for this
Ligand-Target Pair
NMDA


()
BDBM50215283
PNG
(2-(N-(6,7-dichloro-2,3-dioxo-1,2,3,4-tetrahydroqui...)
Show SMILES CS(=O)(=O)N(CC(O)=O)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12
Show InChI InChI=1S/C11H9Cl2N3O6S/c1-23(21,22)16(3-6(17)18)9-7(13)4(12)2-5-8(9)15-11(20)10(19)14-5/h2H,3H2,1H3,(H,14,19)(H,15,20)(H,17,18)
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n/an/a 2n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human NMDA NR1 receptor


Bioorg Med Chem Lett 17: 4599-603 (2007)

More data for this
Ligand-Target Pair
NMDA


()
BDBM50215282
PNG
(CHEMBL429296 | N-(6-chloro-7-methyl-2,3-dioxo-1,2,...)
Show SMILES Cc1cc2[nH]c(=O)c(=O)[nH]c2c(N(CCO)S(C)(=O)=O)c1Cl
Show InChI InChI=1S/C12H14ClN3O5S/c1-6-5-7-9(15-12(19)11(18)14-7)10(8(6)13)16(3-4-17)22(2,20)21/h5,17H,3-4H2,1-2H3,(H,14,18)(H,15,19)
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n/an/a 4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human NMDA NR1 receptor


Bioorg Med Chem Lett 17: 4599-603 (2007)

More data for this
Ligand-Target Pair
NMDA


()
BDBM50073922
PNG
(CHEMBL86313 | {(S)-1-[(7-Bromo-2,3-dioxo-1,2,3,4-t...)
Show SMILES C[C@@H](NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12)P(O)(O)=O
Show InChI InChI=1S/C11H13BrN3O5P/c1-5(21(18,19)20)13-4-6-2-7(12)3-8-9(6)15-11(17)10(16)14-8/h2-3,5,13H,4H2,1H3,(H,14,16)(H,15,17)(H2,18,19,20)/t5-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



University Hospital Zurich

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity for the glycine binding site on N-methyl-D-aspartate glutamate receptor by using [3H]-MDL-105,519 bin...


Bioorg Med Chem Lett 10: 75-8 (2000)

More data for this
Ligand-Target Pair
NMDA


()
BDBM50091637
PNG
(5-(3-(4-benzylpiperidin-1-yl)prop-1-ynyl)-1H-benzo...)
Show SMILES O=c1[nH]c2ccc(cc2[nH]1)C#CCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H23N3O/c26-22-23-20-9-8-18(16-21(20)24-22)7-4-12-25-13-10-19(11-14-25)15-17-5-2-1-3-6-17/h1-3,5-6,8-9,16,19H,10-15H2,(H2,23,24,26)
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n/an/a 5.30n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)

More data for this
Ligand-Target Pair
NMDA


()
BDBM50084064
PNG
(CHEMBL167952 | {(S)-1-[(7-Chloro-2,3-dioxo-1,2,3,4...)
Show SMILES C[C@@H](NCc1cc(Cl)cc2[nH]c(=O)c(=O)[nH]c12)P(O)(O)=O
Show InChI InChI=1S/C11H13ClN3O5P/c1-5(21(18,19)20)13-4-6-2-7(12)3-8-9(6)15-11(17)10(16)14-8/h2-3,5,13H,4H2,1H3,(H,14,16)(H,15,17)(H2,18,19,20)/t5-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



University Hospital Zurich

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity for the glycine binding site on N-methyl-D-aspartate glutamate receptor by using [3H]-MDL-105,519 bin...


Bioorg Med Chem Lett 10: 75-8 (2000)

More data for this
Ligand-Target Pair
NMDA


()
BDBM50091635
PNG
(5-{3-[4-(3-Fluoro-benzyl)-piperidin-1-yl]-prop-1-y...)
Show SMILES Fc1cccc(CC2CCN(CC#Cc3ccc4[nH]c(=O)[nH]c4c3)CC2)c1
Show InChI InChI=1S/C22H22FN3O/c23-19-5-1-3-18(14-19)13-17-8-11-26(12-9-17)10-2-4-16-6-7-20-21(15-16)25-22(27)24-20/h1,3,5-7,14-15,17H,8-13H2,(H2,24,25,27)
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n/an/a 6.10n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)

More data for this
Ligand-Target Pair
NMDA


()
BDBM50215286
PNG
(CHEMBL399275 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...)
Show SMILES COCCCN(c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12)S(C)(=O)=O
Show InChI InChI=1S/C13H15Cl2N3O5S/c1-23-5-3-4-18(24(2,21)22)11-9(15)7(14)6-8-10(11)17-13(20)12(19)16-8/h6H,3-5H2,1-2H3,(H,16,19)(H,17,20)
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n/an/a 8n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human NMDA NR1 receptor


Bioorg Med Chem Lett 17: 4599-603 (2007)

More data for this
Ligand-Target Pair
NMDA


()
BDBM50084062
PNG
(CHEMBL354295 | {(S)-1-[(7-Iodo-2,3-dioxo-1,2,3,4-t...)
Show SMILES C[C@@H](NCc1cc(I)cc2[nH]c(=O)c(=O)[nH]c12)P(O)(O)=O
Show InChI InChI=1S/C11H13IN3O5P/c1-5(21(18,19)20)13-4-6-2-7(12)3-8-9(6)15-11(17)10(16)14-8/h2-3,5,13H,4H2,1H3,(H,14,16)(H,15,17)(H2,18,19,20)/t5-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



University Hospital Zurich

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity for the glycine binding site on N-methyl-D-aspartate glutamate receptor by using [3H]-MDL-105,519 bin...


Bioorg Med Chem Lett 10: 75-8 (2000)

More data for this
Ligand-Target Pair
NMDA


()
BDBM50073930
PNG
(CHEMBL82963 | {(S)-1-[(2,3-Dioxo-7-trifluoromethyl...)
Show SMILES C[C@@H](NCc1cc(cc2[nH]c(=O)c(=O)[nH]c12)C(F)(F)F)P(O)(O)=O
Show InChI InChI=1S/C12H13F3N3O5P/c1-5(24(21,22)23)16-4-6-2-7(12(13,14)15)3-8-9(6)18-11(20)10(19)17-8/h2-3,5,16H,4H2,1H3,(H,17,19)(H,18,20)(H2,21,22,23)/t5-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



University Hospital Zurich

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity for the glycine binding site on N-methyl-D-aspartate glutamate receptor by using [3H]-MDL-105,519 bin...


Bioorg Med Chem Lett 10: 75-8 (2000)

More data for this
Ligand-Target Pair
NMDA


()
BDBM50091636
PNG
(5-{3-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-prop-1-y...)
Show SMILES Fc1ccc(CC2CCN(CC#Cc3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1
Show InChI InChI=1S/C22H22FN3O/c23-19-6-3-17(4-7-19)14-18-9-12-26(13-10-18)11-1-2-16-5-8-20-21(15-16)25-22(27)24-20/h3-8,15,18H,9-14H2,(H2,24,25,27)
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n/an/a 8.20n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)

More data for this
Ligand-Target Pair
NMDA


()
BDBM50084063
PNG
(CHEMBL162675 | {(S)-1-[(7-Fluoro-2,3-dioxo-1,2,3,4...)
Show SMILES C[C@@H](NCc1cc(F)cc2[nH]c(=O)c(=O)[nH]c12)P(O)(O)=O
Show InChI InChI=1S/C11H13FN3O5P/c1-5(21(18,19)20)13-4-6-2-7(12)3-8-9(6)15-11(17)10(16)14-8/h2-3,5,13H,4H2,1H3,(H,14,16)(H,15,17)(H2,18,19,20)/t5-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



University Hospital Zurich

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity for the glycine binding site on N-methyl-D-aspartate glutamate receptor by using [3H]-MDL-105,519 bin...


Bioorg Med Chem Lett 10: 75-8 (2000)

More data for this
Ligand-Target Pair
NMDA


()
BDBM50000663
PNG
((+)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]he...)
Show SMILES C[C@]12NC(Cc3ccccc13)c1ccccc21
Show InChI InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3/t15?,16-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Antagonist activity at NR1/2B receptor (unknown origin) expressed in xenopus laevis at pH 6.9 by two electrode voltage clamp method


J Med Chem 51: 3765-76 (2008)

More data for this
Ligand-Target Pair
NMDA


()
BDBM50215281
PNG
(CHEMBL248443 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...)
Show SMILES CS(=O)(=O)N(CCC(F)(F)F)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12
Show InChI InChI=1S/C12H10Cl2F3N3O4S/c1-25(23,24)20(3-2-12(15,16)17)9-7(14)5(13)4-6-8(9)19-11(22)10(21)18-6/h4H,2-3H2,1H3,(H,18,21)(H,19,22)
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n/an/a 11n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human NMDA NR1 receptor


Bioorg Med Chem Lett 17: 4599-603 (2007)

More data for this
Ligand-Target Pair
NMDA


()
BDBM50215287
PNG
(CHEMBL247035 | N-(3-methoxybenzyl)-N-(6,7-dichloro...)
Show SMILES COc1cccc(CN(c2c(Cl)c(Cl)cc3[nH]c(=O)c(=O)[nH]c23)S(C)(=O)=O)c1
Show InChI InChI=1S/C17H15Cl2N3O5S/c1-27-10-5-3-4-9(6-10)8-22(28(2,25)26)15-13(19)11(18)7-12-14(15)21-17(24)16(23)20-12/h3-7H,8H2,1-2H3,(H,20,23)(H,21,24)
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n/an/a 12n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human NMDA NR1 receptor


Bioorg Med Chem Lett 17: 4599-603 (2007)

More data for this
Ligand-Target Pair
NMDA


()
BDBM50215296
PNG
(CHEMBL401849 | N-(7-chloro-6-methyl-2,3-dioxo-1,2,...)
Show SMILES Cc1c(Cl)cc2[nH]c(=O)c(=O)[nH]c2c1N(CCO)S(C)(=O)=O
Show InChI InChI=1S/C12H14ClN3O5S/c1-6-7(13)5-8-9(15-12(19)11(18)14-8)10(6)16(3-4-17)22(2,20)21/h5,17H,3-4H2,1-2H3,(H,14,18)(H,15,19)
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n/an/a 14n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human NMDA NR1 receptor


Bioorg Med Chem Lett 17: 4599-603 (2007)

More data for this
Ligand-Target Pair
NMDA


()
BDBM50091647
PNG
(5-[3-(4-Benzyl-piperidin-1-yl)-prop-1-ynyl]-1,3-di...)
Show SMILES S=c1[nH]c2ccc(cc2[nH]1)C#CCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H23N3S/c26-22-23-20-9-8-18(16-21(20)24-22)7-4-12-25-13-10-19(11-14-25)15-17-5-2-1-3-6-17/h1-3,5-6,8-9,16,19H,10-15H2,(H2,23,24,26)
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n/an/a 16n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)

More data for this
Ligand-Target Pair
NMDA


()
BDBM50091632
PNG
(5-{3-[4-(4-Methyl-benzyl)-piperidin-1-yl]-prop-1-y...)
Show SMILES Cc1ccc(CC2CCN(CC#Cc3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1
Show InChI InChI=1S/C23H25N3O/c1-17-4-6-19(7-5-17)15-20-10-13-26(14-11-20)12-2-3-18-8-9-21-22(16-18)25-23(27)24-21/h4-9,16,20H,10-15H2,1H3,(H2,24,25,27)
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n/an/a 17n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)

More data for this
Ligand-Target Pair
NMDA


()
BDBM50215281
PNG
(CHEMBL248443 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...)
Show SMILES CS(=O)(=O)N(CCC(F)(F)F)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12
Show InChI InChI=1S/C12H10Cl2F3N3O4S/c1-25(23,24)20(3-2-12(15,16)17)9-7(14)5(13)4-6-8(9)19-11(22)10(21)18-6/h4H,2-3H2,1H3,(H,18,21)(H,19,22)
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n/an/a 18n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human NMDA NR1 receptor


Bioorg Med Chem Lett 17: 4599-603 (2007)

More data for this
Ligand-Target Pair
NMDA


()
BDBM50215285
PNG
(CHEMBL400508 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...)
Show SMILES CCOCCCN(c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12)S(C)(=O)=O
Show InChI InChI=1S/C14H17Cl2N3O5S/c1-3-24-6-4-5-19(25(2,22)23)12-10(16)8(15)7-9-11(12)18-14(21)13(20)17-9/h7H,3-6H2,1-2H3,(H,17,20)(H,18,21)
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n/an/a 19n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human NMDA NR1 receptor


Bioorg Med Chem Lett 17: 4599-603 (2007)

More data for this
Ligand-Target Pair
NMDA


()
BDBM50091626
PNG
(5-[3-(4-Benzyl-4-hydroxy-piperidin-1-yl)-prop-1-yn...)
Show SMILES OC1(Cc2ccccc2)CCN(CC#Cc2ccc3[nH]c(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C22H23N3O2/c26-21-23-19-9-8-17(15-20(19)24-21)7-4-12-25-13-10-22(27,11-14-25)16-18-5-2-1-3-6-18/h1-3,5-6,8-9,15,27H,10-14,16H2,(H2,23,24,26)
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n/an/a 19n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)

More data for this
Ligand-Target Pair
NMDA


()
BDBM50091643
PNG
(5-{3-[4-(4-Chloro-benzyl)-piperidin-1-yl]-prop-1-y...)
Show SMILES Clc1ccc(CC2CCN(CC#Cc3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1
Show InChI InChI=1S/C22H22ClN3O/c23-19-6-3-17(4-7-19)14-18-9-12-26(13-10-18)11-1-2-16-5-8-20-21(15-16)25-22(27)24-20/h3-8,15,18H,9-14H2,(H2,24,25,27)
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n/an/a 19n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)

More data for this
Ligand-Target Pair
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