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PubMed code 20873775

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
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50329474
PNG
((S)-N-(1-(3-(4-(3-aminopropylamino)butylamino)prop...)
Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)C1CC1 |r|
Show InChI InChI=1S/C23H45N5O2/c24-12-6-15-25-13-4-5-14-26-16-7-17-27-23(30)21(28-22(29)20-10-11-20)18-19-8-2-1-3-9-19/h19-21,25-26H,1-18,24H2,(H,27,30)(H,28,29)/t21-/m0/s1
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PubMed
n/an/a 11n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at GluR1 expressed in Xenopus laevis oocytes assessed as inhibition of glutamate-induced current at -60mV holding potential by tw...


J Med Chem 53: 7441-51 (2010)


Article DOI: 10.1021/jm100886h
BindingDB Entry DOI: 10.7270/Q2125SX4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50329475
PNG
((S)-N-(1-(3-(4-(3-aminopropylamino)butylamino)prop...)
Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCCCC1 |r|
Show InChI InChI=1S/C26H51N5O2/c27-15-9-18-28-16-7-8-17-29-19-10-20-30-26(33)24(21-22-11-3-1-4-12-22)31-25(32)23-13-5-2-6-14-23/h22-24,28-29H,1-21,27H2,(H,30,33)(H,31,32)/t24-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at GluR1 expressed in Xenopus laevis oocytes assessed as inhibition of glutamate-induced current at -60mV holding potential by tw...


J Med Chem 53: 7441-51 (2010)


Article DOI: 10.1021/jm100886h
BindingDB Entry DOI: 10.7270/Q2125SX4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50094298
PNG
(CHEMBL16117 | N-[(S)-1-{3-[4-(3-Amino-propylamino)...)
Show SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCNCCCCNCCCN
Show InChI InChI=1S/C23H41N5O3/c1-2-7-22(30)28-21(18-19-8-10-20(29)11-9-19)23(31)27-17-6-16-26-14-4-3-13-25-15-5-12-24/h8-11,21,25-26,29H,2-7,12-18,24H2,1H3,(H,27,31)(H,28,30)/t21-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at GluR1 expressed in Xenopus laevis oocytes assessed as inhibition of glutamate-induced current at -60mV holding potential by tw...


J Med Chem 53: 7441-51 (2010)


Article DOI: 10.1021/jm100886h
BindingDB Entry DOI: 10.7270/Q2125SX4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50329473
PNG
((S)-N-(1-(3-(4-(3-aminopropylamino)butylamino)prop...)
Show SMILES CCCC(=O)N[C@@H](CC1CCCCC1)C(=O)NCCCNCCCCNCCCN |r|
Show InChI InChI=1S/C23H47N5O2/c1-2-10-22(29)28-21(19-20-11-4-3-5-12-20)23(30)27-18-9-17-26-15-7-6-14-25-16-8-13-24/h20-21,25-26H,2-19,24H2,1H3,(H,27,30)(H,28,29)/t21-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at GluR1 expressed in Xenopus laevis oocytes assessed as inhibition of glutamate-induced current at -60mV holding potential by tw...


J Med Chem 53: 7441-51 (2010)


Article DOI: 10.1021/jm100886h
BindingDB Entry DOI: 10.7270/Q2125SX4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50329477
PNG
((S)-N-(3-(4-(3-aminopropylamino)butylamino)propyl)...)
Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)Cc1cccc2ccccc12 |r|
Show InChI InChI=1S/C31H49N5O2/c32-17-9-20-33-18-6-7-19-34-21-10-22-35-31(38)29(23-25-11-2-1-3-12-25)36-30(37)24-27-15-8-14-26-13-4-5-16-28(26)27/h4-5,8,13-16,25,29,33-34H,1-3,6-7,9-12,17-24,32H2,(H,35,38)(H,36,37)/t29-/m0/s1
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n/an/a 41n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at GluR1 expressed in Xenopus laevis oocytes assessed as inhibition of glutamate-induced current at -60mV holding potential by tw...


J Med Chem 53: 7441-51 (2010)


Article DOI: 10.1021/jm100886h
BindingDB Entry DOI: 10.7270/Q2125SX4
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A


(Homo sapiens (Human))
BDBM50329477
PNG
((S)-N-(3-(4-(3-aminopropylamino)butylamino)propyl)...)
Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)Cc1cccc2ccccc12 |r|
Show InChI InChI=1S/C31H49N5O2/c32-17-9-20-33-18-6-7-19-34-21-10-22-35-31(38)29(23-25-11-2-1-3-12-25)36-30(37)24-27-15-8-14-26-13-4-5-16-28(26)27/h4-5,8,13-16,25,29,33-34H,1-3,6-7,9-12,17-24,32H2,(H,35,38)(H,36,37)/t29-/m0/s1
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n/an/a 47n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at NR1-1a/NR2A receptor expressed in Xenopus laevis oocytes assessed as inhibition of glutamate/glycine-induced current at -60mV ...


J Med Chem 53: 7441-51 (2010)


Article DOI: 10.1021/jm100886h
BindingDB Entry DOI: 10.7270/Q2125SX4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50329476
PNG
((S)-N-(1-(3-(4-(3-aminopropylamino)butylamino)prop...)
Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C32H49N5O2/c33-19-9-22-34-20-7-8-21-35-23-10-24-36-32(39)30(25-26-11-3-1-4-12-26)37-31(38)29-17-15-28(16-18-29)27-13-5-2-6-14-27/h2,5-6,13-18,26,30,34-35H,1,3-4,7-12,19-25,33H2,(H,36,39)(H,37,38)/t30-/m0/s1
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n/an/a 87n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at GluR1 expressed in Xenopus laevis oocytes assessed as inhibition of glutamate-induced current at -60mV holding potential by tw...


J Med Chem 53: 7441-51 (2010)


Article DOI: 10.1021/jm100886h
BindingDB Entry DOI: 10.7270/Q2125SX4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50329478
PNG
((S)-2-(2-Adamantan-1-yl-acetylamino)-N-{3-[4-(3-am...)
Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)CC12CC3CC(CC(C3)C1)C2 |r,TLB:31:32:30.29.35:36,THB:31:30:32.37.33:36,33:32:29:35.34.36,33:34:31.32.37:29|
Show InChI InChI=1S/C31H57N5O2/c32-10-6-13-33-11-4-5-12-34-14-7-15-35-30(38)28(19-24-8-2-1-3-9-24)36-29(37)23-31-20-25-16-26(21-31)18-27(17-25)22-31/h24-28,33-34H,1-23,32H2,(H,35,38)(H,36,37)/t25?,26?,27?,28-,31?/m0/s1
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n/an/a 105n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at GluR1 expressed in Xenopus laevis oocytes assessed as inhibition of glutamate-induced current at -60mV holding potential by tw...


J Med Chem 53: 7441-51 (2010)


Article DOI: 10.1021/jm100886h
BindingDB Entry DOI: 10.7270/Q2125SX4
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A


(Homo sapiens (Human))
BDBM50329480
PNG
((S)-N-(20-amino-2,7-dioxo-1-phenyl-3,8,12,17-tetra...)
Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CCNC(=O)Cc1ccccc1)NC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C29H44N6O3/c30-16-9-19-31-17-7-8-18-32-20-10-21-34-29(38)26(35-28(37)25-13-5-2-6-14-25)15-22-33-27(36)23-24-11-3-1-4-12-24/h1-6,11-14,26,31-32H,7-10,15-23,30H2,(H,33,36)(H,34,38)(H,35,37)/t26-/m0/s1
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n/an/a 106n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at NR1-1a/NR2A receptor expressed in Xenopus laevis oocytes assessed as inhibition of glutamate/glycine-induced current at -60mV ...


J Med Chem 53: 7441-51 (2010)


Article DOI: 10.1021/jm100886h
BindingDB Entry DOI: 10.7270/Q2125SX4
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A


(Homo sapiens (Human))
BDBM50329475
PNG
((S)-N-(1-(3-(4-(3-aminopropylamino)butylamino)prop...)
Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCCCC1 |r|
Show InChI InChI=1S/C26H51N5O2/c27-15-9-18-28-16-7-8-17-29-19-10-20-30-26(33)24(21-22-11-3-1-4-12-22)31-25(32)23-13-5-2-6-14-23/h22-24,28-29H,1-21,27H2,(H,30,33)(H,31,32)/t24-/m0/s1
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n/an/a 656n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at NR1-1a/NR2A receptor expressed in Xenopus laevis oocytes assessed as inhibition of glutamate/glycine-induced current at -60mV ...


J Med Chem 53: 7441-51 (2010)


Article DOI: 10.1021/jm100886h
BindingDB Entry DOI: 10.7270/Q2125SX4
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A


(Homo sapiens (Human))
BDBM50329478
PNG
((S)-2-(2-Adamantan-1-yl-acetylamino)-N-{3-[4-(3-am...)
Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)CC12CC3CC(CC(C3)C1)C2 |r,TLB:31:32:30.29.35:36,THB:31:30:32.37.33:36,33:32:29:35.34.36,33:34:31.32.37:29|
Show InChI InChI=1S/C31H57N5O2/c32-10-6-13-33-11-4-5-12-34-14-7-15-35-30(38)28(19-24-8-2-1-3-9-24)36-29(37)23-31-20-25-16-26(21-31)18-27(17-25)22-31/h24-28,33-34H,1-23,32H2,(H,35,38)(H,36,37)/t25?,26?,27?,28-,31?/m0/s1
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n/an/a 794n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at NR1-1a/NR2A receptor expressed in Xenopus laevis oocytes assessed as inhibition of glutamate/glycine-induced current at -60mV ...


J Med Chem 53: 7441-51 (2010)


Article DOI: 10.1021/jm100886h
BindingDB Entry DOI: 10.7270/Q2125SX4
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A


(Homo sapiens (Human))
BDBM50329481
PNG
((S)-N-(21-amino-2,8-dioxo-1-phenyl-3,9,13,18-tetra...)
Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CCCNC(=O)Cc1ccccc1)NC(=O)C1CCCCC1 |r|
Show InChI InChI=1S/C30H52N6O3/c31-17-10-20-32-18-7-8-19-33-21-11-23-35-30(39)27(36-29(38)26-14-5-2-6-15-26)16-9-22-34-28(37)24-25-12-3-1-4-13-25/h1,3-4,12-13,26-27,32-33H,2,5-11,14-24,31H2,(H,34,37)(H,35,39)(H,36,38)/t27-/m0/s1
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n/an/a 1.03E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at NR1-1a/NR2A receptor expressed in Xenopus laevis oocytes assessed as inhibition of glutamate/glycine-induced current at -60mV ...


J Med Chem 53: 7441-51 (2010)


Article DOI: 10.1021/jm100886h
BindingDB Entry DOI: 10.7270/Q2125SX4
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A


(Homo sapiens (Human))
BDBM50329482
PNG
((S)-N-(22-amino-2,9-dioxo-1-phenyl-3,10,14,19-tetr...)
Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CCCCNC(=O)Cc1ccccc1)NC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C31H48N6O3/c32-18-11-21-33-19-9-10-20-34-22-12-24-36-31(40)28(37-30(39)27-15-5-2-6-16-27)17-7-8-23-35-29(38)25-26-13-3-1-4-14-26/h1-6,13-16,28,33-34H,7-12,17-25,32H2,(H,35,38)(H,36,40)(H,37,39)/t28-/m0/s1
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n/an/a 1.35E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at NR1-1a/NR2A receptor expressed in Xenopus laevis oocytes assessed as inhibition of glutamate/glycine-induced current at -60mV ...


J Med Chem 53: 7441-51 (2010)


Article DOI: 10.1021/jm100886h
BindingDB Entry DOI: 10.7270/Q2125SX4
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A


(Homo sapiens (Human))
BDBM50329476
PNG
((S)-N-(1-(3-(4-(3-aminopropylamino)butylamino)prop...)
Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C32H49N5O2/c33-19-9-22-34-20-7-8-21-35-23-10-24-36-32(39)30(25-26-11-3-1-4-12-26)37-31(38)29-17-15-28(16-18-29)27-13-5-2-6-14-27/h2,5-6,13-18,26,30,34-35H,1,3-4,7-12,19-25,33H2,(H,36,39)(H,37,38)/t30-/m0/s1
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n/an/a 1.45E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at NR1-1a/NR2A receptor expressed in Xenopus laevis oocytes assessed as inhibition of glutamate/glycine-induced current at -60mV ...


J Med Chem 53: 7441-51 (2010)


Article DOI: 10.1021/jm100886h
BindingDB Entry DOI: 10.7270/Q2125SX4
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A


(Homo sapiens (Human))
BDBM50329474
PNG
((S)-N-(1-(3-(4-(3-aminopropylamino)butylamino)prop...)
Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)C1CC1 |r|
Show InChI InChI=1S/C23H45N5O2/c24-12-6-15-25-13-4-5-14-26-16-7-17-27-23(30)21(28-22(29)20-10-11-20)18-19-8-2-1-3-9-19/h19-21,25-26H,1-18,24H2,(H,27,30)(H,28,29)/t21-/m0/s1
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n/an/a 2.57E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at NR1-1a/NR2A receptor expressed in Xenopus laevis oocytes assessed as inhibition of glutamate/glycine-induced current at -60mV ...


J Med Chem 53: 7441-51 (2010)


Article DOI: 10.1021/jm100886h
BindingDB Entry DOI: 10.7270/Q2125SX4
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A


(Homo sapiens (Human))
BDBM50094298
PNG
(CHEMBL16117 | N-[(S)-1-{3-[4-(3-Amino-propylamino)...)
Show SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCNCCCCNCCCN
Show InChI InChI=1S/C23H41N5O3/c1-2-7-22(30)28-21(18-19-8-10-20(29)11-9-19)23(31)27-17-6-16-26-14-4-3-13-25-15-5-12-24/h8-11,21,25-26,29H,2-7,12-18,24H2,1H3,(H,27,31)(H,28,30)/t21-/m0/s1
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n/an/a 2.74E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at NR1-1a/NR2A receptor expressed in Xenopus laevis oocytes assessed as inhibition of glutamate/glycine-induced current at -60mV ...


J Med Chem 53: 7441-51 (2010)


Article DOI: 10.1021/jm100886h
BindingDB Entry DOI: 10.7270/Q2125SX4
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A


(Homo sapiens (Human))
BDBM50329479
PNG
((S)-N-(19-amino-2,6-dioxo-1-phenyl-3,7,11,16-tetra...)
Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CNC(=O)Cc1ccccc1)NC(=O)C1CCCCC1 |r|
Show InChI InChI=1S/C28H48N6O3/c29-15-9-18-30-16-7-8-17-31-19-10-20-32-28(37)25(34-27(36)24-13-5-2-6-14-24)22-33-26(35)21-23-11-3-1-4-12-23/h1,3-4,11-12,24-25,30-31H,2,5-10,13-22,29H2,(H,32,37)(H,33,35)(H,34,36)/t25-/m0/s1
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Article
PubMed
n/an/a 2.81E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at NR1-1a/NR2A receptor expressed in Xenopus laevis oocytes assessed as inhibition of glutamate/glycine-induced current at -60mV ...


J Med Chem 53: 7441-51 (2010)


Article DOI: 10.1021/jm100886h
BindingDB Entry DOI: 10.7270/Q2125SX4
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A


(Homo sapiens (Human))
BDBM50329473
PNG
((S)-N-(1-(3-(4-(3-aminopropylamino)butylamino)prop...)
Show SMILES CCCC(=O)N[C@@H](CC1CCCCC1)C(=O)NCCCNCCCCNCCCN |r|
Show InChI InChI=1S/C23H47N5O2/c1-2-10-22(29)28-21(19-20-11-4-3-5-12-20)23(30)27-18-9-17-26-15-7-6-14-25-16-8-13-24/h20-21,25-26H,2-19,24H2,1H3,(H,27,30)(H,28,29)/t21-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a 4.38E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at NR1-1a/NR2A receptor expressed in Xenopus laevis oocytes assessed as inhibition of glutamate/glycine-induced current at -60mV ...


J Med Chem 53: 7441-51 (2010)


Article DOI: 10.1021/jm100886h
BindingDB Entry DOI: 10.7270/Q2125SX4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%