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Articleid 50028942

Compile data set for download or QSAR
Found 13 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)
BDBM50280269
PNG
(3-[2-(4-Amino-benzylcarbamoyl)-ethyl]-4,6-dichloro...)
Show SMILES Nc1ccc(CNC(=O)CCc2c([nH]c3cc(Cl)cc(Cl)c23)C(O)=O)cc1
Show InChI InChI=1S/C19H17Cl2N3O3/c20-11-7-14(21)17-13(18(19(26)27)24-15(17)8-11)5-6-16(25)23-9-10-1-3-12(22)4-2-10/h1-4,7-8,24H,5-6,9,22H2,(H,23,25)(H,26,27)
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n/an/a 27n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-L-689,560 binding to Glycine site of NMDA receptor of rat cortical membranes


Bioorg Med Chem Lett 2: 1627-1630 (1992)


Article DOI: 10.1016/S0960-894X(00)80444-8
BindingDB Entry DOI: 10.7270/Q22V2G1V
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50061396
PNG
(4,6-Dichloro-3-(2-phenylcarbamoyl-ethyl)-1H-indole...)
Show SMILES OC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1CCC(=O)Nc1ccccc1
Show InChI InChI=1S/C18H14Cl2N2O3/c19-10-8-13(20)16-12(17(18(24)25)22-14(16)9-10)6-7-15(23)21-11-4-2-1-3-5-11/h1-5,8-9,22H,6-7H2,(H,21,23)(H,24,25)
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n/an/a 36n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-L-689,560 binding to Glycine site of NMDA receptor of rat cortical membranes


Bioorg Med Chem Lett 2: 1627-1630 (1992)


Article DOI: 10.1016/S0960-894X(00)80444-8
BindingDB Entry DOI: 10.7270/Q22V2G1V
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50004952
PNG
(3-(2-Carboxy-ethyl)-4,6-dichloro-1H-indole-2-carbo...)
Show SMILES OC(=O)CCc1c([nH]c2cc(Cl)cc(Cl)c12)C(O)=O
Show InChI InChI=1S/C12H9Cl2NO4/c13-5-3-7(14)10-6(1-2-9(16)17)11(12(18)19)15-8(10)4-5/h3-4,15H,1-2H2,(H,16,17)(H,18,19)
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n/an/a 70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-L-689,560 binding to Glycine site of NMDA receptor of rat cortical membranes


Bioorg Med Chem Lett 2: 1627-1630 (1992)


Article DOI: 10.1016/S0960-894X(00)80444-8
BindingDB Entry DOI: 10.7270/Q22V2G1V
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50280277
PNG
(3-Carbamoyl-6-chloro-1H-indole-2-carboxylic acid |...)
Show SMILES NC(=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1S/C10H7ClN2O3/c11-4-1-2-5-6(3-4)13-8(10(15)16)7(5)9(12)14/h1-3,13H,(H2,12,14)(H,15,16)
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n/an/a 810n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-L-689,560 binding to Glycine site of NMDA receptor of rat cortical membranes


Bioorg Med Chem Lett 2: 1627-1630 (1992)


Article DOI: 10.1016/S0960-894X(00)80444-8
BindingDB Entry DOI: 10.7270/Q22V2G1V
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50009079
PNG
(6-Chloro-3-methoxycarbonylmethyl-1H-indole-2-carbo...)
Show SMILES COC(=O)Cc1c([nH]c2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1S/C12H10ClNO4/c1-18-10(15)5-8-7-3-2-6(13)4-9(7)14-11(8)12(16)17/h2-4,14H,5H2,1H3,(H,16,17)
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n/an/a 1.78E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-L-689,560 binding to Glycine site of NMDA receptor of rat cortical membranes


Bioorg Med Chem Lett 2: 1627-1630 (1992)


Article DOI: 10.1016/S0960-894X(00)80444-8
BindingDB Entry DOI: 10.7270/Q22V2G1V
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50280272
PNG
(6-Chloro-3-hydroxymethyl-1H-indole-2-carboxylic ac...)
Show SMILES OCc1c([nH]c2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1S/C10H8ClNO3/c11-5-1-2-6-7(4-13)9(10(14)15)12-8(6)3-5/h1-3,12-13H,4H2,(H,14,15)
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n/an/a 9.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-L-689,560 binding to Glycine site of NMDA receptor of rat cortical membranes


Bioorg Med Chem Lett 2: 1627-1630 (1992)


Article DOI: 10.1016/S0960-894X(00)80444-8
BindingDB Entry DOI: 10.7270/Q22V2G1V
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50280278
PNG
((R)-6-Chloro-1,2-dihydro-indole-2,3,3-tricarboxyli...)
Show SMILES COC(=O)C1([C@@H](Nc2cc(Cl)ccc12)C(O)=O)C(=O)OC
Show InChI InChI=1S/C13H12ClNO6/c1-20-11(18)13(12(19)21-2)7-4-3-6(14)5-8(7)15-9(13)10(16)17/h3-5,9,15H,1-2H3,(H,16,17)/t9-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-L-689,560 binding to Glycine site of NMDA receptor of rat cortical membranes


Bioorg Med Chem Lett 2: 1627-1630 (1992)


Article DOI: 10.1016/S0960-894X(00)80444-8
BindingDB Entry DOI: 10.7270/Q22V2G1V
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50280270
PNG
((2R,3R)-3-Carbamoyl-6-chloro-2,3-dihydro-1H-indole...)
Show SMILES NC(=O)[C@H]1[C@@H](Nc2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1S/C10H9ClN2O3/c11-4-1-2-5-6(3-4)13-8(10(15)16)7(5)9(12)14/h1-3,7-8,13H,(H2,12,14)(H,15,16)/t7-,8-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-L-689,560 binding to Glycine site of NMDA receptor of rat cortical membranes


Bioorg Med Chem Lett 2: 1627-1630 (1992)


Article DOI: 10.1016/S0960-894X(00)80444-8
BindingDB Entry DOI: 10.7270/Q22V2G1V
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50280274
PNG
((2R,3R)-6-Chloro-2,3-dihydro-1H-indole-2,3-dicarbo...)
Show SMILES OC(=O)[C@@H]1Nc2cc(Cl)ccc2[C@H]1C(O)=O
Show InChI InChI=1S/C10H8ClNO4/c11-4-1-2-5-6(3-4)12-8(10(15)16)7(5)9(13)14/h1-3,7-8,12H,(H,13,14)(H,15,16)/t7-,8-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-L-689,560 binding to Glycine site of NMDA receptor of rat cortical membranes


Bioorg Med Chem Lett 2: 1627-1630 (1992)


Article DOI: 10.1016/S0960-894X(00)80444-8
BindingDB Entry DOI: 10.7270/Q22V2G1V
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50280275
PNG
((2R,3R)-6-Chloro-3-hydroxymethyl-2,3-dihydro-1H-in...)
Show SMILES OC[C@H]1[C@@H](Nc2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1S/C10H10ClNO3/c11-5-1-2-6-7(4-13)9(10(14)15)12-8(6)3-5/h1-3,7,9,12-13H,4H2,(H,14,15)/t7-,9-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-L-689,560 binding to Glycine site of NMDA receptor of rat cortical membranes


Bioorg Med Chem Lett 2: 1627-1630 (1992)


Article DOI: 10.1016/S0960-894X(00)80444-8
BindingDB Entry DOI: 10.7270/Q22V2G1V
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50280273
PNG
((2R,3R)-3-Benzoyloxymethyl-6-chloro-2,3-dihydro-1H...)
Show SMILES OC(=O)[C@@H]1Nc2cc(Cl)ccc2[C@H]1COC(=O)c1ccccc1
Show InChI InChI=1S/C17H14ClNO4/c18-11-6-7-12-13(15(16(20)21)19-14(12)8-11)9-23-17(22)10-4-2-1-3-5-10/h1-8,13,15,19H,9H2,(H,20,21)/t13-,15-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-L-689,560 binding to Glycine site of NMDA receptor of rat cortical membranes


Bioorg Med Chem Lett 2: 1627-1630 (1992)


Article DOI: 10.1016/S0960-894X(00)80444-8
BindingDB Entry DOI: 10.7270/Q22V2G1V
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50280276
PNG
((2R,3R)-3-Carboxymethyl-6-chloro-2,3-dihydro-1H-in...)
Show SMILES OC(=O)C[C@H]1[C@@H](Nc2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1S/C11H10ClNO4/c12-5-1-2-6-7(4-9(14)15)10(11(16)17)13-8(6)3-5/h1-3,7,10,13H,4H2,(H,14,15)(H,16,17)/t7-,10-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-L-689,560 binding to Glycine site of NMDA receptor of rat cortical membranes


Bioorg Med Chem Lett 2: 1627-1630 (1992)


Article DOI: 10.1016/S0960-894X(00)80444-8
BindingDB Entry DOI: 10.7270/Q22V2G1V
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50280271
PNG
((2R,3R)-6-Chloro-2,3-dihydro-1H-indole-2,3-dicarbo...)
Show SMILES COC(=O)[C@H]1[C@@H](Nc2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1S/C11H10ClNO4/c1-17-11(16)8-6-3-2-5(12)4-7(6)13-9(8)10(14)15/h2-4,8-9,13H,1H3,(H,14,15)/t8-,9-/m1/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-L-689,560 binding to Glycine site of NMDA receptor of rat cortical membranes


Bioorg Med Chem Lett 2: 1627-1630 (1992)


Article DOI: 10.1016/S0960-894X(00)80444-8
BindingDB Entry DOI: 10.7270/Q22V2G1V
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%