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PubMed code 8230130

Compile data set for download or QSAR
Found 19 hits of Enzyme Inhibition Constant Data   
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 1


(RAT)
BDBM50038176
PNG
(7-Chloro-3-nitro-3,4-dihydro-1H-quinolin-2-one | C...)
Show SMILES [O-][N+](=O)C1Cc2ccc(Cl)cc2NC1=O
Show InChI InChI=1S/C9H7ClN2O3/c10-6-2-1-5-3-8(12(14)15)9(13)11-7(5)4-6/h1-2,4,8H,3H2,(H,11,13)
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n/an/a 414n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards NMDA receptor to displace [3H]-L-689,560 from rat cortical membranes


J Med Chem 36: 3397-408 (1993)


BindingDB Entry DOI: 10.7270/Q2Z89BFF
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50030668
PNG
((7-Chloro-3-nitro-2-oxo-1,2,3,4-tetrahydro-quinoli...)
Show SMILES COC(=O)CC1C(C(=O)Nc2cc(Cl)ccc12)[N+]([O-])=O
Show InChI InChI=1S/C12H11ClN2O5/c1-20-10(16)5-8-7-3-2-6(13)4-9(7)14-12(17)11(8)15(18)19/h2-4,8,11H,5H2,1H3,(H,14,17)
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n/an/a 1.32E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards NMDA receptor to displace [3H]-L-689,560 from rat cortical membranes


J Med Chem 36: 3397-408 (1993)


BindingDB Entry DOI: 10.7270/Q2Z89BFF
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50042328
PNG
(2-(7-Chloro-3-nitro-2-oxo-1,2,3,4-tetrahydro-quino...)
Show SMILES CN(C(=O)CC1C(C(=O)Nc2cc(Cl)ccc12)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1S/C18H16ClN3O4/c1-21(12-5-3-2-4-6-12)16(23)10-14-13-8-7-11(19)9-15(13)20-18(24)17(14)22(25)26/h2-9,14,17H,10H2,1H3,(H,20,24)
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n/an/a 1.84E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards NMDA receptor to displace [3H]-L-689,560 from rat cortical membranes


J Med Chem 36: 3397-408 (1993)


BindingDB Entry DOI: 10.7270/Q2Z89BFF
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50042324
PNG
((7-Chloro-3-nitro-2-oxo-1,2,3,4-tetrahydro-quinoli...)
Show SMILES CCOC(=O)CC1C(C(=O)Nc2cc(Cl)ccc12)[N+]([O-])=O
Show InChI InChI=1S/C13H13ClN2O5/c1-2-21-11(17)6-9-8-4-3-7(14)5-10(8)15-13(18)12(9)16(19)20/h3-5,9,12H,2,6H2,1H3,(H,15,18)
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n/an/a 2.23E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards NMDA receptor to displace [3H]-L-689,560 from rat cortical membranes


J Med Chem 36: 3397-408 (1993)


BindingDB Entry DOI: 10.7270/Q2Z89BFF
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50042336
PNG
(CHEMBL115023 | N-Benzyl-2-(7-chloro-3-nitro-2-oxo-...)
Show SMILES [O-][N+](=O)C1C(CC(=O)NCc2ccccc2)c2ccc(Cl)cc2NC1=O
Show InChI InChI=1S/C18H16ClN3O4/c19-12-6-7-13-14(17(22(25)26)18(24)21-15(13)8-12)9-16(23)20-10-11-4-2-1-3-5-11/h1-8,14,17H,9-10H2,(H,20,23)(H,21,24)
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n/an/a 2.53E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards NMDA receptor to displace [3H]-L-689,560 from rat cortical membranes


J Med Chem 36: 3397-408 (1993)


BindingDB Entry DOI: 10.7270/Q2Z89BFF
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50042331
PNG
(2-(7-Chloro-3-nitro-2-oxo-1,2,3,4-tetrahydro-quino...)
Show SMILES CN(C)C(=O)CC1C(C(=O)Nc2cc(Cl)ccc12)[N+]([O-])=O
Show InChI InChI=1S/C13H14ClN3O4/c1-16(2)11(18)6-9-8-4-3-7(14)5-10(8)15-13(19)12(9)17(20)21/h3-5,9,12H,6H2,1-2H3,(H,15,19)
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n/an/a 3.72E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards NMDA receptor to displace [3H]-L-689,560 from rat cortical membranes


J Med Chem 36: 3397-408 (1993)


BindingDB Entry DOI: 10.7270/Q2Z89BFF
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50042332
PNG
(7-Chloro-4-(3-methyl-[1,2,4]oxadiazol-5-ylmethyl)-...)
Show SMILES Cc1nc(CC2C(C(=O)Nc3cc(Cl)ccc23)[N+]([O-])=O)[o+][n-]1
Show InChI InChI=1S/C13H11ClN4O4/c1-6-15-11(22-17-6)5-9-8-3-2-7(14)4-10(8)16-13(19)12(9)18(20)21/h2-4,9,12H,5H2,1H3,(H,16,19)
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n/an/a 5.59E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards NMDA receptor to displace [3H]-L-689,560 from rat cortical membranes


J Med Chem 36: 3397-408 (1993)


BindingDB Entry DOI: 10.7270/Q2Z89BFF
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50042322
PNG
(2-(7-Chloro-3-nitro-2-oxo-1,2,3,4-tetrahydro-quino...)
Show SMILES [O-][N+](=O)C1C(CC(=O)Nc2ccccc2)c2ccc(Cl)cc2NC1=O
Show InChI InChI=1S/C17H14ClN3O4/c18-10-6-7-12-13(9-15(22)19-11-4-2-1-3-5-11)16(21(24)25)17(23)20-14(12)8-10/h1-8,13,16H,9H2,(H,19,22)(H,20,23)
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n/an/a 7.43E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards NMDA receptor to displace [3H]-L-689,560 from rat cortical membranes


J Med Chem 36: 3397-408 (1993)


BindingDB Entry DOI: 10.7270/Q2Z89BFF
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50042326
PNG
((7-Chloro-3-cyano-2-oxo-1,2,3,4-tetrahydro-quinoli...)
Show SMILES COC(=O)CC1C(C#N)C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1S/C13H11ClN2O3/c1-19-12(17)5-9-8-3-2-7(14)4-11(8)16-13(18)10(9)6-15/h2-4,9-10H,5H2,1H3,(H,16,18)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards NMDA receptor to displace [3H]-L-689,560 from rat cortical membranes


J Med Chem 36: 3397-408 (1993)


BindingDB Entry DOI: 10.7270/Q2Z89BFF
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50042337
PNG
(2-(7-Chloro-3-nitro-2-oxo-1,2,3,4-tetrahydro-quino...)
Show SMILES CNC(=O)CC1C(C(=O)Nc2cc(Cl)ccc12)[N+]([O-])=O
Show InChI InChI=1S/C12H12ClN3O4/c1-14-10(17)5-8-7-3-2-6(13)4-9(7)15-12(18)11(8)16(19)20/h2-4,8,11H,5H2,1H3,(H,14,17)(H,15,18)
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n/an/a 1.24E+4n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards NMDA receptor to displace [3H]-L-689,560 from rat cortical membranes


J Med Chem 36: 3397-408 (1993)


BindingDB Entry DOI: 10.7270/Q2Z89BFF
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50042329
PNG
((3-Nitro-2-oxo-1,2,3,4-tetrahydro-quinolin-4-yl)-a...)
Show SMILES COC(=O)CC1C(C(=O)Nc2ccccc12)[N+]([O-])=O
Show InChI InChI=1S/C12H12N2O5/c1-19-10(15)6-8-7-4-2-3-5-9(7)13-12(16)11(8)14(17)18/h2-5,8,11H,6H2,1H3,(H,13,16)
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n/an/a 2.86E+4n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards NMDA receptor to displace [3H]-L-689,560 from rat cortical membranes


J Med Chem 36: 3397-408 (1993)


BindingDB Entry DOI: 10.7270/Q2Z89BFF
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50042333
PNG
((7-Chloro-3-nitro-2-oxo-1,2-dihydro-quinolin-4-yl)...)
Show SMILES COC(=O)Cc1c([N+]([O-])=O)c(=[OH+])[n-]c2cc(Cl)ccc12
Show InChI InChI=1S/C12H9ClN2O5/c1-20-10(16)5-8-7-3-2-6(13)4-9(7)14-12(17)11(8)15(18)19/h2-4H,5H2,1H3,(H,14,17)
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n/an/a 9.44E+4n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards NMDA receptor to displace [3H]-L-689,560 from rat cortical membranes


J Med Chem 36: 3397-408 (1993)


BindingDB Entry DOI: 10.7270/Q2Z89BFF
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50042325
PNG
(7-Chloro-4-methoxycarbonylmethyl-2-oxo-1,2-dihydro...)
Show SMILES COC(=O)Cc1c(C(=O)OC)c(=O)[nH]c2cc(Cl)ccc12
Show InChI InChI=1S/C14H12ClNO5/c1-20-11(17)6-9-8-4-3-7(15)5-10(8)16-13(18)12(9)14(19)21-2/h3-5H,6H2,1-2H3,(H,16,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards NMDA receptor to displace [3H]-L-689,560 from rat cortical membranes


J Med Chem 36: 3397-408 (1993)


BindingDB Entry DOI: 10.7270/Q2Z89BFF
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50042338
PNG
(CHEMBL116384 | [7-Chloro-3-(4-nitro-benzenesulfony...)
Show SMILES COC(=O)CC1C(C(=O)Nc2cc(Cl)ccc12)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C18H15ClN2O7S/c1-28-16(22)9-14-13-7-2-10(19)8-15(13)20-18(23)17(14)29(26,27)12-5-3-11(4-6-12)21(24)25/h2-8,14,17H,9H2,1H3,(H,20,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards NMDA receptor to displace [3H]-L-689,560 from rat cortical membranes


J Med Chem 36: 3397-408 (1993)


BindingDB Entry DOI: 10.7270/Q2Z89BFF
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50042330
PNG
((3-Benzoyl-7-chloro-2-oxo-1,2,3,4-tetrahydro-quino...)
Show SMILES COC(=O)CC1C(C(=O)c2ccccc2)C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1S/C19H16ClNO4/c1-25-16(22)10-14-13-8-7-12(20)9-15(13)21-19(24)17(14)18(23)11-5-3-2-4-6-11/h2-9,14,17H,10H2,1H3,(H,21,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards NMDA receptor to displace [3H]-L-689,560 from rat cortical membranes


J Med Chem 36: 3397-408 (1993)


BindingDB Entry DOI: 10.7270/Q2Z89BFF
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50042327
PNG
((3-Benzenesulfonyl-7-chloro-2-oxo-1,2,3,4-tetrahyd...)
Show SMILES COC(=O)CC1C(C(=O)Nc2cc(Cl)ccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H16ClNO5S/c1-25-16(21)10-14-13-8-7-11(19)9-15(13)20-18(22)17(14)26(23,24)12-5-3-2-4-6-12/h2-9,14,17H,10H2,1H3,(H,20,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards NMDA receptor to displace [3H]-L-689,560 from rat cortical membranes


J Med Chem 36: 3397-408 (1993)


BindingDB Entry DOI: 10.7270/Q2Z89BFF
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50042335
PNG
((7-Chloro-3-methanesulfonyl-2-oxo-1,2,3,4-tetrahyd...)
Show SMILES COC(=O)CC1C(C(=O)Nc2cc(Cl)ccc12)S(C)(=O)=O
Show InChI InChI=1S/C13H14ClNO5S/c1-20-11(16)6-9-8-4-3-7(14)5-10(8)15-13(17)12(9)21(2,18)19/h3-5,9,12H,6H2,1-2H3,(H,15,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards NMDA receptor to displace [3H]-L-689,560 from rat cortical membranes


J Med Chem 36: 3397-408 (1993)


BindingDB Entry DOI: 10.7270/Q2Z89BFF
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50042323
PNG
(7-Chloro-4-methoxycarbonylmethyl-2-oxo-1,2,3,4-tet...)
Show SMILES COC(=O)CC1C(C(=O)OC)C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1S/C14H14ClNO5/c1-20-11(17)6-9-8-4-3-7(15)5-10(8)16-13(18)12(9)14(19)21-2/h3-5,9,12H,6H2,1-2H3,(H,16,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards NMDA receptor to displace [3H]-L-689,560 from rat cortical membranes


J Med Chem 36: 3397-408 (1993)


BindingDB Entry DOI: 10.7270/Q2Z89BFF
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50042334
PNG
((7-Chloro-2-oxo-1,2,3,4-tetrahydro-quinolin-4-yl)-...)
Show SMILES COC(=O)CC1CC(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1S/C12H12ClNO3/c1-17-12(16)5-7-4-11(15)14-10-6-8(13)2-3-9(7)10/h2-3,6-7H,4-5H2,1H3,(H,14,15)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards NMDA receptor to displace [3H]-L-689,560 from rat cortical membranes


J Med Chem 36: 3397-408 (1993)


BindingDB Entry DOI: 10.7270/Q2Z89BFF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%