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PubMed code 1382133

Compile data set for download or QSAR
Found 18 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-NMDA


(RAT)
BDBM50001266
PNG
(5,7-DICHLORO-4-HYDROXYQUINOLINE-2-CARBOXYLIC ACID ...)
Show SMILES OC(=O)c1cc(O)c2c(Cl)cc(Cl)cc2n1
Show InChI InChI=1S/C10H5Cl2NO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16)
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PubMed
40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from glycine site on the NMDA receptor.


Citation and Details
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM22778
PNG
(6,7-Dichloro-1,4-dihydro-quinoxaline-2,3-dione | 6...)
Show SMILES Clc1cc2[nH]c(=O)c(=O)[nH]c2cc1Cl
Show InChI InChI=1S/C8H4Cl2N2O2/c9-3-1-5-6(2-4(3)10)12-8(14)7(13)11-5/h1-2H,(H,11,13)(H,12,14)
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PubMed
210n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from glycine site on the NMDA receptor.


Citation and Details
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50002707
PNG
(7,8-Dichloro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4...)
Show SMILES Clc1cc2[nH]c(=O)c3nncn3c2cc1Cl
Show InChI InChI=1S/C9H4Cl2N4O/c10-4-1-6-7(2-5(4)11)15-3-12-14-8(15)9(16)13-6/h1-3H,(H,13,16)
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PubMed
630n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from glycine site on the NMDA receptor.


Citation and Details
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50002696
PNG
(7,8-Dichloro-5H-imidazo[1,2-a]quinoxalin-4-one | C...)
Show SMILES Clc1cc2[nH]c(=O)c3nccn3c2cc1Cl
Show InChI InChI=1S/C10H5Cl2N3O/c11-5-3-7-8(4-6(5)12)15-2-1-13-9(15)10(16)14-7/h1-4H,(H,14,16)
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1.26E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from glycine site on the NMDA receptor.


Citation and Details
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50002700
PNG
(1-Butyl-7,8-dichloro-5H-[1,2,4]triazolo[4,3-a]quin...)
Show SMILES CCCCc1nnc2n1c1cc(Cl)c(Cl)cc1[nH]c2=O
Show InChI InChI=1S/C13H12Cl2N4O/c1-2-3-4-11-17-18-12-13(20)16-9-5-7(14)8(15)6-10(9)19(11)12/h5-6H,2-4H2,1H3,(H,16,20)
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PubMed
1.48E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from glycine site on the NMDA receptor.


Citation and Details
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50002710
PNG
(7,9-Dichloro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4...)
Show SMILES Clc1cc(Cl)c2c(c1)[nH]c(=O)c1nncn21
Show InChI InChI=1S/C9H4Cl2N4O/c10-4-1-5(11)7-6(2-4)13-9(16)8-14-12-3-15(7)8/h1-3H,(H,13,16)
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PubMed
2.85E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from glycine site on the NMDA receptor.


Citation and Details
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50002701
PNG
(7,8-Dichloro-1-propyl-5H-[1,2,4]triazolo[4,3-a]qui...)
Show SMILES CCCc1nnc2n1c1cc(Cl)c(Cl)cc1[nH]c2=O
Show InChI InChI=1S/C12H10Cl2N4O/c1-2-3-10-16-17-11-12(19)15-8-4-6(13)7(14)5-9(8)18(10)11/h4-5H,2-3H2,1H3,(H,15,19)
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PubMed
3.92E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from glycine site on the NMDA receptor.


Citation and Details
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50002711
PNG
(7,8-Dichloro-1-ethyl-5H-[1,2,4]triazolo[4,3-a]quin...)
Show SMILES CCc1nnc2n1c1cc(Cl)c(Cl)cc1[nH]c2=O
Show InChI InChI=1S/C11H8Cl2N4O/c1-2-9-15-16-10-11(18)14-7-3-5(12)6(13)4-8(7)17(9)10/h3-4H,2H2,1H3,(H,14,18)
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PubMed
4.58E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from glycine site on the NMDA receptor.


Citation and Details
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50002704
PNG
(7-Nitro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one ...)
Show SMILES [O-][N+](=O)c1ccc2c(c1)[nH]c(=O)c1nncn21
Show InChI InChI=1S/C9H5N5O3/c15-9-8-12-10-4-13(8)7-2-1-5(14(16)17)3-6(7)11-9/h1-4H,(H,11,15)
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PubMed
7.35E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from glycine site on the NMDA receptor.


Citation and Details
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50002695
PNG
(7,8-Dichloro-5H-1,2,3,5,9b-pentaaza-cyclopenta[a]n...)
Show SMILES Clc1cc2[nH]c(=O)c3nnnn3c2cc1Cl
Show InChI InChI=1S/C8H3Cl2N5O/c9-3-1-5-6(2-4(3)10)15-7(8(16)11-5)12-13-14-15/h1-2H,(H,11,16)
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from glycine site on the NMDA receptor.


Citation and Details
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50002706
PNG
(7,8-Dichloro-1-phenyl-5H-[1,2,4]triazolo[4,3-a]qui...)
Show SMILES Clc1cc2[nH]c(=O)c3nnc(-c4ccccc4)n3c2cc1Cl
Show InChI InChI=1S/C15H8Cl2N4O/c16-9-6-11-12(7-10(9)17)21-13(8-4-2-1-3-5-8)19-20-14(21)15(22)18-11/h1-7H,(H,18,22)
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from glycine site on the NMDA receptor.


Citation and Details
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50002703
PNG
(7,8-Dichloro-1-methyl-5H-[1,2,4]triazolo[4,3-a]qui...)
Show SMILES Cc1nnc2n1c1cc(Cl)c(Cl)cc1[nH]c2=O
Show InChI InChI=1S/C10H6Cl2N4O/c1-4-14-15-9-10(17)13-7-2-5(11)6(12)3-8(7)16(4)9/h2-3H,1H3,(H,13,17)
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from glycine site on the NMDA receptor.


Citation and Details
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50002709
PNG
(8,9-Dichloro-6H-pyrazolo[1,5-c]quinazolin-5-one | ...)
Show SMILES Clc1cc2[nH]c(=O)n3nccc3c2cc1Cl
Show InChI InChI=1S/C10H5Cl2N3O/c11-6-3-5-8(4-7(6)12)14-10(16)15-9(5)1-2-13-15/h1-4H,(H,14,16)
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from glycine site on the NMDA receptor.


Citation and Details
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50002705
PNG
(8-Chloro-6H-pyrazolo[1,5-c]quinazolin-5-one | CHEM...)
Show SMILES Clc1ccc2c3ccnn3c(=O)[nH]c2c1
Show InChI InChI=1S/C10H6ClN3O/c11-6-1-2-7-8(5-6)13-10(15)14-9(7)3-4-12-14/h1-5H,(H,13,15)
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from glycine site on the NMDA receptor.


Citation and Details
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50002708
PNG
(7-Nitro-5H-1,2,3,5,9b-pentaaza-cyclopenta[a]naphth...)
Show SMILES [O-][N+](=O)c1ccc2c(c1)[nH]c(=O)c1nnnn21
Show InChI InChI=1S/C8H4N6O3/c15-8-7-10-11-12-13(7)6-2-1-4(14(16)17)3-5(6)9-8/h1-3H,(H,9,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from glycine site on the NMDA receptor.


Citation and Details
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50002702
PNG
(7,8-Dichloro-1-trifluoromethyl-5H-[1,2,4]triazolo[...)
Show SMILES FC(F)(F)c1nnc2n1c1cc(Cl)c(Cl)cc1[nH]c2=O
Show InChI InChI=1S/C10H3Cl2F3N4O/c11-3-1-5-6(2-4(3)12)19-7(8(20)16-5)17-18-9(19)10(13,14)15/h1-2H,(H,16,20)
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>1.00E+4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from glycine site on the NMDA receptor.


Citation and Details
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50002712
PNG
(8-Nitro-5H-1,2,3,5,9b-pentaaza-cyclopenta[a]naphth...)
Show SMILES [O-][N+](=O)c1ccc2[n-]c(=[OH+])c3nnnn3c2c1
Show InChI InChI=1S/C8H4N6O3/c15-8-7-10-11-12-13(7)6-3-4(14(16)17)1-2-5(6)9-8/h1-3H,(H,9,15)
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from glycine site on the NMDA receptor.


Citation and Details
More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM50002699
PNG
(7,8-Difluoro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4...)
Show SMILES Fc1cc2[nH]c(=O)c3nncn3c2cc1F
Show InChI InChI=1S/C9H4F2N4O/c10-4-1-6-7(2-5(4)11)15-3-12-14-8(15)9(16)13-6/h1-3H,(H,13,16)
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>1.00E+4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from glycine site on the NMDA receptor.


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%