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Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50012771   
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
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)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
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)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
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)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
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)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
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)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
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)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
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)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
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)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
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)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
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)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
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)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
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)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
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)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
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)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
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)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
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)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
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)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
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)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
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)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
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)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
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)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
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)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
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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PubMed
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)


Article DOI: 10.1021/jm020955n
BindingDB Entry DOI: 10.7270/Q2NZ8703
More data for this
Ligand-Target Pair