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Compile Data Set for Download or QSAR

Found 43 hits with Last Name = 'acklin' and Initial = 'p'   
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-NMDA


(RAT)
BDBM50069471
PNG
(CHEMBL357190 | N-(7-Bromo-2,3-dioxo-1,2,3,4-tetrah...)
Show SMILES Clc1ccccc1CC(=O)NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12
Show InChI InChI=1S/C17H13BrClN3O3/c18-11-5-10(15-13(7-11)21-16(24)17(25)22-15)8-20-14(23)6-9-3-1-2-4-12(9)19/h1-5,7H,6,8H2,(H,20,23)(H,21,24)(H,22,25)
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n/an/a 7n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors


Bioorg Med Chem Lett 8: 493-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00055-9
BindingDB Entry DOI: 10.7270/Q29G5NBG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50069482
PNG
(CHEMBL357916 | N-(7-Bromo-2,3-dioxo-1,2,3,4-tetrah...)
Show SMILES CC(C(=O)NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12)c1ccccc1
Show InChI InChI=1S/C18H16BrN3O3/c1-10(11-5-3-2-4-6-11)16(23)20-9-12-7-13(19)8-14-15(12)22-18(25)17(24)21-14/h2-8,10H,9H2,1H3,(H,20,23)(H,21,24)(H,22,25)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors


Bioorg Med Chem Lett 8: 493-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00055-9
BindingDB Entry DOI: 10.7270/Q29G5NBG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50069483
PNG
(CHEMBL356281 | N-(7-Bromo-2,3-dioxo-1,2,3,4-tetrah...)
Show SMILES Brc1cc(CNC(=O)Cc2ccsc2)c2[nH]c(=O)c(=O)[nH]c2c1
Show InChI InChI=1S/C15H12BrN3O3S/c16-10-4-9(6-17-12(20)3-8-1-2-23-7-8)13-11(5-10)18-14(21)15(22)19-13/h1-2,4-5,7H,3,6H2,(H,17,20)(H,18,21)(H,19,22)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors


Bioorg Med Chem Lett 8: 493-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00055-9
BindingDB Entry DOI: 10.7270/Q29G5NBG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50069465
PNG
(CHEMBL343863 | Thiophene-2-carboxylic acid (7-brom...)
Show SMILES Brc1cc(CNC(=O)c2cccs2)c2[nH]c(=O)c(=O)[nH]c2c1
Show InChI InChI=1S/C14H10BrN3O3S/c15-8-4-7(6-16-12(19)10-2-1-3-22-10)11-9(5-8)17-13(20)14(21)18-11/h1-5H,6H2,(H,16,19)(H,17,20)(H,18,21)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors


Bioorg Med Chem Lett 8: 493-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00055-9
BindingDB Entry DOI: 10.7270/Q29G5NBG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50069458
PNG
(CHEMBL147895 | N-(7-Bromo-2,3-dioxo-1,2,3,4-tetrah...)
Show SMILES Brc1cc(CNC(=O)Cc2ccccc2)c2[nH]c(=O)c(=O)[nH]c2c1
Show InChI InChI=1S/C17H14BrN3O3/c18-12-7-11(15-13(8-12)20-16(23)17(24)21-15)9-19-14(22)6-10-4-2-1-3-5-10/h1-5,7-8H,6,9H2,(H,19,22)(H,20,23)(H,21,24)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors


Bioorg Med Chem Lett 8: 493-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00055-9
BindingDB Entry DOI: 10.7270/Q29G5NBG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50069459
PNG
(CHEMBL413125 | Thiophene-3-carboxylic acid (7-brom...)
Show SMILES Brc1cc(CNC(=O)c2ccsc2)c2[nH]c(=O)c(=O)[nH]c2c1
Show InChI InChI=1S/C14H10BrN3O3S/c15-9-3-8(5-16-12(19)7-1-2-22-6-7)11-10(4-9)17-13(20)14(21)18-11/h1-4,6H,5H2,(H,16,19)(H,17,20)(H,18,21)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors


Bioorg Med Chem Lett 8: 493-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00055-9
BindingDB Entry DOI: 10.7270/Q29G5NBG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50069495
PNG
(CHEMBL147894 | N-(7-Chloro-2,3-dioxo-1,2,3,4-tetra...)
Show SMILES Clc1cc(CNC(=O)Cc2ccccc2)c2[nH]c(=O)c(=O)[nH]c2c1
Show InChI InChI=1S/C17H14ClN3O3/c18-12-7-11(15-13(8-12)20-16(23)17(24)21-15)9-19-14(22)6-10-4-2-1-3-5-10/h1-5,7-8H,6,9H2,(H,19,22)(H,20,23)(H,21,24)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors


Bioorg Med Chem Lett 8: 493-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00055-9
BindingDB Entry DOI: 10.7270/Q29G5NBG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50069478
PNG
(3-Methyl-thiophene-2-carboxylic acid (7-bromo-2,3-...)
Show SMILES Cc1ccsc1C(=O)NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12
Show InChI InChI=1S/C15H12BrN3O3S/c1-7-2-3-23-12(7)13(20)17-6-8-4-9(16)5-10-11(8)19-15(22)14(21)18-10/h2-5H,6H2,1H3,(H,17,20)(H,18,21)(H,19,22)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors


Bioorg Med Chem Lett 8: 493-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00055-9
BindingDB Entry DOI: 10.7270/Q29G5NBG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50069461
PNG
(CHEMBL357447 | N-(7-Bromo-2,3-dioxo-1,2,3,4-tetrah...)
Show SMILES [O-][N+](=O)c1ccccc1CC(=O)NCc1cc(Br)cc2[n-]c(=[OH+])c(=O)[nH]c12
Show InChI InChI=1S/C17H13BrN4O5/c18-11-5-10(15-12(7-11)20-16(24)17(25)21-15)8-19-14(23)6-9-3-1-2-4-13(9)22(26)27/h1-5,7H,6,8H2,(H3,19,20,21,23,24,25)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors


Bioorg Med Chem Lett 8: 493-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00055-9
BindingDB Entry DOI: 10.7270/Q29G5NBG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50069456
PNG
(1-Methyl-1H-pyrrole-2-carboxylic acid (7-bromo-2,3...)
Show SMILES Cn1cccc1C(=O)NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12
Show InChI InChI=1S/C15H13BrN4O3/c1-20-4-2-3-11(20)13(21)17-7-8-5-9(16)6-10-12(8)19-15(23)14(22)18-10/h2-6H,7H2,1H3,(H,17,21)(H,18,22)(H,19,23)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors


Bioorg Med Chem Lett 8: 493-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00055-9
BindingDB Entry DOI: 10.7270/Q29G5NBG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50069479
PNG
(5-Methyl-thiophene-2-carboxylic acid (7-bromo-2,3-...)
Show SMILES Cc1ccc(s1)C(=O)NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12
Show InChI InChI=1S/C15H12BrN3O3S/c1-7-2-3-11(23-7)13(20)17-6-8-4-9(16)5-10-12(8)19-15(22)14(21)18-10/h2-5H,6H2,1H3,(H,17,20)(H,18,21)(H,19,22)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors


Bioorg Med Chem Lett 8: 493-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00055-9
BindingDB Entry DOI: 10.7270/Q29G5NBG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50069491
PNG
(1-(2-Methoxy-phenyl)-3-(7-nitro-2,3-dioxo-1,2,3,4-...)
Show SMILES COc1ccccc1NC(=O)NCc1cc(cc2[n-]c(=[OH+])c(=O)[nH]c12)[N+]([O-])=O
Show InChI InChI=1S/C17H15N5O6/c1-28-13-5-3-2-4-11(13)20-17(25)18-8-9-6-10(22(26)27)7-12-14(9)21-16(24)15(23)19-12/h2-7H,8H2,1H3,(H4,18,19,20,21,23,24,25)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors


Bioorg Med Chem Lett 8: 493-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00055-9
BindingDB Entry DOI: 10.7270/Q29G5NBG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50069470
PNG
(CHEMBL145606 | N-(7-Bromo-2,3-dioxo-1,2,3,4-tetrah...)
Show SMILES COc1cccc(CC(=O)NCc2cc(Br)cc3[nH]c(=O)c(=O)[nH]c23)c1
Show InChI InChI=1S/C18H16BrN3O4/c1-26-13-4-2-3-10(5-13)6-15(23)20-9-11-7-12(19)8-14-16(11)22-18(25)17(24)21-14/h2-5,7-8H,6,9H2,1H3,(H,20,23)(H,21,24)(H,22,25)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors


Bioorg Med Chem Lett 8: 493-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00055-9
BindingDB Entry DOI: 10.7270/Q29G5NBG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50069488
PNG
(1-(4-Methoxy-phenyl)-3-(7-nitro-2,3-dioxo-1,2,3,4-...)
Show SMILES COc1ccc(NC(=O)NCc2cc(cc3[n-]c(=[OH+])c(=O)[nH]c23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C17H15N5O6/c1-28-12-4-2-10(3-5-12)19-17(25)18-8-9-6-11(22(26)27)7-13-14(9)21-16(24)15(23)20-13/h2-7H,8H2,1H3,(H4,18,19,20,21,23,24,25)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors


Bioorg Med Chem Lett 8: 493-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00055-9
BindingDB Entry DOI: 10.7270/Q29G5NBG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50069467
PNG
(Acetic acid [(7-bromo-2,3-dioxo-1,2,3,4-tetrahydro...)
Show SMILES CC(=O)OC(C(=O)NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12)c1ccccc1
Show InChI InChI=1S/C19H16BrN3O5/c1-10(24)28-16(11-5-3-2-4-6-11)17(25)21-9-12-7-13(20)8-14-15(12)23-19(27)18(26)22-14/h2-8,16H,9H2,1H3,(H,21,25)(H,22,26)(H,23,27)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors


Bioorg Med Chem Lett 8: 493-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00055-9
BindingDB Entry DOI: 10.7270/Q29G5NBG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50069464
PNG
(CHEMBL144064 | Furan-2-carboxylic acid (7-bromo-2,...)
Show SMILES Brc1cc(CNC(=O)c2ccco2)c2[nH]c(=O)c(=O)[nH]c2c1
Show InChI InChI=1S/C14H10BrN3O4/c15-8-4-7(6-16-12(19)10-2-1-3-22-10)11-9(5-8)17-13(20)14(21)18-11/h1-5H,6H2,(H,16,19)(H,17,20)(H,18,21)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors


Bioorg Med Chem Lett 8: 493-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00055-9
BindingDB Entry DOI: 10.7270/Q29G5NBG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50069460
PNG
(CHEMBL144365 | N-(7-Nitro-2,3-dioxo-1,2,3,4-tetrah...)
Show SMILES [O-][N+](=O)c1cc(CNC(=O)Cc2ccccc2)c2[nH]c(=O)c(=[OH+])[n-]c2c1
Show InChI InChI=1S/C17H14N4O5/c22-14(6-10-4-2-1-3-5-10)18-9-11-7-12(21(25)26)8-13-15(11)20-17(24)16(23)19-13/h1-5,7-8H,6,9H2,(H3,18,19,20,22,23,24)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors


Bioorg Med Chem Lett 8: 493-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00055-9
BindingDB Entry DOI: 10.7270/Q29G5NBG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50069490
PNG
(CHEMBL147855 | N-(7-Bromo-2,3-dioxo-1,2,3,4-tetrah...)
Show SMILES [O-][N+](=O)c1cccc(CC(=O)NCc2cc(Br)cc3[nH]c(=O)c(=O)[nH]c23)c1
Show InChI InChI=1S/C17H13BrN4O5/c18-11-6-10(15-13(7-11)20-16(24)17(25)21-15)8-19-14(23)5-9-2-1-3-12(4-9)22(26)27/h1-4,6-7H,5,8H2,(H,19,23)(H,20,24)(H,21,25)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors


Bioorg Med Chem Lett 8: 493-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00055-9
BindingDB Entry DOI: 10.7270/Q29G5NBG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50069497
PNG
(CHEMBL146827 | N-(7-Bromo-2,3-dioxo-1,2,3,4-tetrah...)
Show SMILES Clc1cccc(CC(=O)NCc2cc(Br)cc3[nH]c(=O)c(=O)[nH]c23)c1
Show InChI InChI=1S/C17H13BrClN3O3/c18-11-6-10(15-13(7-11)21-16(24)17(25)22-15)8-20-14(23)5-9-2-1-3-12(19)4-9/h1-4,6-7H,5,8H2,(H,20,23)(H,21,24)(H,22,25)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors


Bioorg Med Chem Lett 8: 493-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00055-9
BindingDB Entry DOI: 10.7270/Q29G5NBG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50069485
PNG
(2-Hydroxy-N-(7-nitro-2,3-dioxo-1,2,3,4-tetrahydro-...)
Show SMILES Oc1ccccc1C(=O)NCc1cc(cc2[n-]c(=[OH+])c(=O)[nH]c12)[N+]([O-])=O
Show InChI InChI=1S/C16H12N4O6/c21-12-4-2-1-3-10(12)14(22)17-7-8-5-9(20(25)26)6-11-13(8)19-16(24)15(23)18-11/h1-6H,7H2,(H4,17,18,19,21,22,23,24)
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n/an/a 40n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors


Bioorg Med Chem Lett 8: 493-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00055-9
BindingDB Entry DOI: 10.7270/Q29G5NBG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50069481
PNG
(CHEMBL147708 | N-(7-Bromo-2,3-dioxo-1,2,3,4-tetrah...)
Show SMILES OC(C(=O)NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12)c1ccccc1
Show InChI InChI=1S/C17H14BrN3O4/c18-11-6-10(13-12(7-11)20-16(24)17(25)21-13)8-19-15(23)14(22)9-4-2-1-3-5-9/h1-7,14,22H,8H2,(H,19,23)(H,20,24)(H,21,25)
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n/an/a 50n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors


Bioorg Med Chem Lett 8: 493-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00055-9
BindingDB Entry DOI: 10.7270/Q29G5NBG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50069480
PNG
(CHEMBL148223 | N-(7-Bromo-2,3-dioxo-1,2,3,4-tetrah...)
Show SMILES COc1ccc(CC(=O)NCc2cc(Br)cc3[nH]c(=O)c(=O)[nH]c23)cc1OC
Show InChI InChI=1S/C19H18BrN3O5/c1-27-14-4-3-10(5-15(14)28-2)6-16(24)21-9-11-7-12(20)8-13-17(11)23-19(26)18(25)22-13/h3-5,7-8H,6,9H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)
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n/an/a 50n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors


Bioorg Med Chem Lett 8: 493-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00055-9
BindingDB Entry DOI: 10.7270/Q29G5NBG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50069475
PNG
(CHEMBL144640 | N-(7-Bromo-2,3-dioxo-1,2,3,4-tetrah...)
Show SMILES Brc1cc(CNC(=O)c2ccccc2)c2[nH]c(=O)c(=O)[nH]c2c1
Show InChI InChI=1S/C16H12BrN3O3/c17-11-6-10(8-18-14(21)9-4-2-1-3-5-9)13-12(7-11)19-15(22)16(23)20-13/h1-7H,8H2,(H,18,21)(H,19,22)(H,20,23)
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n/an/a 60n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors


Bioorg Med Chem Lett 8: 493-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00055-9
BindingDB Entry DOI: 10.7270/Q29G5NBG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50069494
PNG
(CHEMBL424499 | N-(2,3-Dioxo-1,2,3,4-tetrahydro-qui...)
Show SMILES O=C(Cc1ccccc1)NCc1cccc2[nH]c(=O)c(=O)[nH]c12
Show InChI InChI=1S/C17H15N3O3/c21-14(9-11-5-2-1-3-6-11)18-10-12-7-4-8-13-15(12)20-17(23)16(22)19-13/h1-8H,9-10H2,(H,18,21)(H,19,22)(H,20,23)
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n/an/a 90n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors


Bioorg Med Chem Lett 8: 493-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00055-9
BindingDB Entry DOI: 10.7270/Q29G5NBG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50069477
PNG
(CHEMBL540332 | N-(7-Bromo-2,3-dioxo-1,2,3,4-tetrah...)
Show SMILES Cc1ccc(cn1)C(=O)NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12
Show InChI InChI=1S/C16H13BrN4O3/c1-8-2-3-9(6-18-8)14(22)19-7-10-4-11(17)5-12-13(10)21-16(24)15(23)20-12/h2-6H,7H2,1H3,(H,19,22)(H,20,23)(H,21,24)
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n/an/a 110n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors


Bioorg Med Chem Lett 8: 493-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00055-9
BindingDB Entry DOI: 10.7270/Q29G5NBG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50069496
PNG
((7-Bromo-2,3-dioxo-1,2,3,4-tetrahydro-quinoxalin-5...)
Show SMILES Brc1cc(CNC(=O)OCc2ccccc2)c2[nH]c(=O)c(=O)[nH]c2c1
Show InChI InChI=1S/C17H14BrN3O4/c18-12-6-11(14-13(7-12)20-15(22)16(23)21-14)8-19-17(24)25-9-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,19,24)(H,20,22)(H,21,23)
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n/an/a 110n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors


Bioorg Med Chem Lett 8: 493-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00055-9
BindingDB Entry DOI: 10.7270/Q29G5NBG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50069466
PNG
(3,4,5-Trihydroxy-N-(7-nitro-2,3-dioxo-1,2,3,4-tetr...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)NCc1cc(cc2[n-]c(=[OH+])c(=O)[nH]c12)[N+]([O-])=O
Show InChI InChI=1S/C16H12N4O8/c21-10-2-6(3-11(22)13(10)23)14(24)17-5-7-1-8(20(27)28)4-9-12(7)19-16(26)15(25)18-9/h1-4H,5H2,(H6,17,18,19,21,22,23,24,25,26)
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n/an/a 150n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors


Bioorg Med Chem Lett 8: 493-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00055-9
BindingDB Entry DOI: 10.7270/Q29G5NBG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50069476
PNG
(2-Amino-N-(7-nitro-2,3-dioxo-1,2,3,4-tetrahydro-qu...)
Show SMILES Nc1ccccc1C(=O)NCc1cc(cc2[n-]c(=[OH+])c(=O)[nH]c12)[N+]([O-])=O
Show InChI InChI=1S/C16H13N5O5/c17-11-4-2-1-3-10(11)14(22)18-7-8-5-9(21(25)26)6-12-13(8)20-16(24)15(23)19-12/h1-6H,7H2,(H5,17,18,19,20,22,23,24)
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n/an/a 170n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors


Bioorg Med Chem Lett 8: 493-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00055-9
BindingDB Entry DOI: 10.7270/Q29G5NBG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50069469
PNG
(3,4,5-Trimethoxy-N-(7-nitro-2,3-dioxo-1,2,3,4-tetr...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCc1cc(cc2[n-]c(=[OH+])c(=O)[nH]c12)[N+]([O-])=O
Show InChI InChI=1S/C19H18N4O8/c1-29-13-5-9(6-14(30-2)16(13)31-3)17(24)20-8-10-4-11(23(27)28)7-12-15(10)22-19(26)18(25)21-12/h4-7H,8H2,1-3H3,(H3,20,21,22,24,25,26)
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n/an/a 200n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors


Bioorg Med Chem Lett 8: 493-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00055-9
BindingDB Entry DOI: 10.7270/Q29G5NBG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50069484
PNG
(CHEMBL543689 | N-(7-Bromo-2,3-dioxo-1,2,3,4-tetrah...)
Show SMILES Brc1cc(CNC(=O)c2ccncc2)c2[nH]c(=O)c(=O)[nH]c2c1
Show InChI InChI=1S/C15H11BrN4O3/c16-10-5-9(7-18-13(21)8-1-3-17-4-2-8)12-11(6-10)19-14(22)15(23)20-12/h1-6H,7H2,(H,18,21)(H,19,22)(H,20,23)
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n/an/a 250n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors


Bioorg Med Chem Lett 8: 493-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00055-9
BindingDB Entry DOI: 10.7270/Q29G5NBG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50069473
PNG
(CHEMBL538070 | N-(7-Bromo-2,3-dioxo-1,2,3,4-tetrah...)
Show SMILES Brc1cc(CNC(=O)c2cccnc2)c2[nH]c(=O)c(=O)[nH]c2c1
Show InChI InChI=1S/C15H11BrN4O3/c16-10-4-9(7-18-13(21)8-2-1-3-17-6-8)12-11(5-10)19-14(22)15(23)20-12/h1-6H,7H2,(H,18,21)(H,19,22)(H,20,23)
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n/an/a 280n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors


Bioorg Med Chem Lett 8: 493-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00055-9
BindingDB Entry DOI: 10.7270/Q29G5NBG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50069487
PNG
(1-(7-Nitro-2,3-dioxo-1,2,3,4-tetrahydro-quinoxalin...)
Show SMILES [O-][N+](=O)c1cc(CNC(=O)Nc2ccc(OC(F)(F)F)cc2)c2[nH]c(=O)c(=[OH+])[n-]c2c1
Show InChI InChI=1S/C17H12F3N5O6/c18-17(19,20)31-11-3-1-9(2-4-11)22-16(28)21-7-8-5-10(25(29)30)6-12-13(8)24-15(27)14(26)23-12/h1-6H,7H2,(H4,21,22,23,24,26,27,28)
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n/an/a 350n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors


Bioorg Med Chem Lett 8: 493-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00055-9
BindingDB Entry DOI: 10.7270/Q29G5NBG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50069474
PNG
(CHEMBL147717 | N-(7-Nitro-2,3-dioxo-1,2,3,4-tetrah...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1cc(cc2[n-]c(=[OH+])c(=O)[nH]c12)[N+]([O-])=O
Show InChI InChI=1S/C16H13N5O7S/c17-29(27,28)11-3-1-8(2-4-11)14(22)18-7-9-5-10(21(25)26)6-12-13(9)20-16(24)15(23)19-12/h1-6H,7H2,(H5,17,18,19,20,22,23,24,27,28)
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n/an/a 630n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors


Bioorg Med Chem Lett 8: 493-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00055-9
BindingDB Entry DOI: 10.7270/Q29G5NBG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50069463
PNG
(CHEMBL149492 | N-(7-Bromo-2,3-dioxo-1,2,3,4-tetrah...)
Show SMILES Brc1cc(CNC(=O)CCc2ccccc2)c2[nH]c(=O)c(=O)[nH]c2c1
Show InChI InChI=1S/C18H16BrN3O3/c19-13-8-12(16-14(9-13)21-17(24)18(25)22-16)10-20-15(23)7-6-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,20,23)(H,21,24)(H,22,25)
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n/an/a 860n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors


Bioorg Med Chem Lett 8: 493-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00055-9
BindingDB Entry DOI: 10.7270/Q29G5NBG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50069468
PNG
(1-(7-Nitro-2,3-dioxo-1,2,3,4-tetrahydro-quinoxalin...)
Show SMILES [O-][N+](=O)c1cc(CNC(=O)Nc2ccccc2)c2[nH]c(=O)c(=[OH+])[n-]c2c1
Show InChI InChI=1S/C16H13N5O5/c22-14-15(23)20-13-9(6-11(21(25)26)7-12(13)19-14)8-17-16(24)18-10-4-2-1-3-5-10/h1-7H,8H2,(H4,17,18,19,20,22,23,24)
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n/an/a 900n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors


Bioorg Med Chem Lett 8: 493-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00055-9
BindingDB Entry DOI: 10.7270/Q29G5NBG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50069462
PNG
(CHEMBL356740 | N-(7-Bromo-2,3-dioxo-1,2,3,4-tetrah...)
Show SMILES [O-][N+](=O)c1ccc(CC(=O)NCc2cc(Br)cc3[nH]c(=O)c(=O)[nH]c23)cc1
Show InChI InChI=1S/C17H13BrN4O5/c18-11-6-10(15-13(7-11)20-16(24)17(25)21-15)8-19-14(23)5-9-1-3-12(4-2-9)22(26)27/h1-4,6-7H,5,8H2,(H,19,23)(H,20,24)(H,21,25)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors


Bioorg Med Chem Lett 8: 493-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00055-9
BindingDB Entry DOI: 10.7270/Q29G5NBG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50069489
PNG
((7-Bromo-2,3-dioxo-1,2,3,4-tetrahydro-quinoxalin-5...)
Show SMILES Brc1cc(CNC(=O)Oc2ccccc2)c2[nH]c(=O)c(=O)[nH]c2c1
Show InChI InChI=1S/C16H12BrN3O4/c17-10-6-9(13-12(7-10)19-14(21)15(22)20-13)8-18-16(23)24-11-4-2-1-3-5-11/h1-7H,8H2,(H,18,23)(H,19,21)(H,20,22)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors


Bioorg Med Chem Lett 8: 493-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00055-9
BindingDB Entry DOI: 10.7270/Q29G5NBG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50069493
PNG
(CHEMBL541600 | N-(7-Bromo-2,3-dioxo-1,2,3,4-tetrah...)
Show SMILES Cc1ncccc1C(=O)NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12
Show InChI InChI=1S/C16H13BrN4O3/c1-8-11(3-2-4-18-8)14(22)19-7-9-5-10(17)6-12-13(9)21-16(24)15(23)20-12/h2-6H,7H2,1H3,(H,19,22)(H,20,23)(H,21,24)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors


Bioorg Med Chem Lett 8: 493-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00055-9
BindingDB Entry DOI: 10.7270/Q29G5NBG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50069455
PNG
(2-Benzo[1,3]dioxol-5-yl-N-(7-bromo-2,3-dioxo-1,2,3...)
Show SMILES Brc1cc(CNC(=O)Cc2ccc3OCOc3c2)c2[nH]c(=O)c(=O)[nH]c2c1
Show InChI InChI=1S/C18H14BrN3O5/c19-11-5-10(16-12(6-11)21-17(24)18(25)22-16)7-20-15(23)4-9-1-2-13-14(3-9)27-8-26-13/h1-3,5-6H,4,7-8H2,(H,20,23)(H,21,24)(H,22,25)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors


Bioorg Med Chem Lett 8: 493-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00055-9
BindingDB Entry DOI: 10.7270/Q29G5NBG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50069492
PNG
(CHEMBL147729 | N-(7-Bromo-2,3-dioxo-1,2,3,4-tetrah...)
Show SMILES Brc1cc(CNC(=O)C(=O)c2ccccc2)c2[nH]c(=O)c(=O)[nH]c2c1
Show InChI InChI=1S/C17H12BrN3O4/c18-11-6-10(13-12(7-11)20-16(24)17(25)21-13)8-19-15(23)14(22)9-4-2-1-3-5-9/h1-7H,8H2,(H,19,23)(H,20,24)(H,21,25)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors


Bioorg Med Chem Lett 8: 493-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00055-9
BindingDB Entry DOI: 10.7270/Q29G5NBG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50069472
PNG
(CHEMBL147593 | N-(7-Bromo-2,3-dioxo-1,2,3,4-tetrah...)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12
Show InChI InChI=1S/C18H10BrF6N3O3/c19-11-3-8(13-12(5-11)27-15(30)16(31)28-13)6-26-14(29)7-1-9(17(20,21)22)4-10(2-7)18(23,24)25/h1-5H,6H2,(H,26,29)(H,27,30)(H,28,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors


Bioorg Med Chem Lett 8: 493-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00055-9
BindingDB Entry DOI: 10.7270/Q29G5NBG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50069457
PNG
(CHEMBL415733 | [2,3-Dioxo-8-(phenylacetylamino-met...)
Show SMILES OP(O)(=O)c1cc(CNC(=O)Cc2ccccc2)c2[nH]c(=O)c(=O)[nH]c2c1
Show InChI InChI=1S/C17H16N3O6P/c21-14(6-10-4-2-1-3-5-10)18-9-11-7-12(27(24,25)26)8-13-15(11)20-17(23)16(22)19-13/h1-5,7-8H,6,9H2,(H,18,21)(H,19,22)(H,20,23)(H2,24,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors


Bioorg Med Chem Lett 8: 493-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00055-9
BindingDB Entry DOI: 10.7270/Q29G5NBG
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50069486
PNG
(CHEMBL343893 | N-(7-Bromo-2,3-dioxo-1,2,3,4-tetrah...)
Show SMILES Clc1ccc(CC(=O)NCc2cc(Br)cc3[nH]c(=O)c(=O)[nH]c23)cc1
Show InChI InChI=1S/C17H13BrClN3O3/c18-11-6-10(15-13(7-11)21-16(24)17(25)22-15)8-20-14(23)5-9-1-3-12(19)4-2-9/h1-4,6-7H,5,8H2,(H,20,23)(H,21,24)(H,22,25)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors


Bioorg Med Chem Lett 8: 493-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00055-9
BindingDB Entry DOI: 10.7270/Q29G5NBG
More data for this
Ligand-Target Pair