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Compile Data Set for Download or QSAR

Found 8 hits with Last Name = 'jeppesen' and Initial = 'ns'   
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 1


(Rattus norvegicus (Rat))
BDBM50018845
PNG
(CHEMBL3286869)
Show SMILES NCCCNCCCCNCCCNCCCN(O)CCCNC(=O)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C26H47N7O2/c27-11-5-14-28-12-3-4-13-29-15-6-16-30-17-7-19-33(35)20-8-18-31-26(34)21-23-22-32-25-10-2-1-9-24(23)25/h1-2,9-10,22,28-30,32,35H,3-8,11-21,27H2,(H,31,34)
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Article
PubMed
n/an/a 11n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GluA1 expressed in Xenopus oocytes assessed as inhibition of glutamate-induced channel current at holding potential of ...


J Med Chem 57: 4940-9 (2014)


Article DOI: 10.1021/jm5004705
BindingDB Entry DOI: 10.7270/Q29K4CT3
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A


(Rattus norvegicus (Rat)-RAT)
BDBM50018845
PNG
(CHEMBL3286869)
Show SMILES NCCCNCCCCNCCCNCCCN(O)CCCNC(=O)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C26H47N7O2/c27-11-5-14-28-12-3-4-13-29-15-6-16-30-17-7-19-33(35)20-8-18-31-26(34)21-23-22-32-25-10-2-1-9-24(23)25/h1-2,9-10,22,28-30,32,35H,3-8,11-21,27H2,(H,31,34)
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Article
PubMed
n/an/a 12n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GluN1/2A expressed in Xenopus oocytes assessed as inhibition of glutamate/glycine-evoked channel current at holding pot...


J Med Chem 57: 4940-9 (2014)


Article DOI: 10.1021/jm5004705
BindingDB Entry DOI: 10.7270/Q29K4CT3
More data for this
Ligand-Target Pair
Glutamate receptor 1


(Rattus norvegicus (Rat))
BDBM50018846
PNG
(CHEMBL3286871)
Show SMILES N[C@@H](CCCCNCCCNC(=O)[C@@H](N)CCCNC(N)=N)C(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1c[nH]c2cccc(O)c12 |r|
Show InChI InChI=1S/C34H58N12O6/c35-23(9-2-5-13-40-14-8-18-42-32(51)24(36)10-7-17-44-34(38)39)31(50)41-15-3-1-4-16-43-33(52)26(20-28(37)48)46-29(49)19-22-21-45-25-11-6-12-27(47)30(22)25/h6,11-12,21,23-24,26,40,45,47H,1-5,7-10,13-20,35-36H2,(H2,37,48)(H,41,50)(H,42,51)(H,43,52)(H,46,49)(H4,38,39,44)/t23-,24-,26-/m0/s1
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PubMed
n/an/a 15n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GluA1 expressed in Xenopus oocytes assessed as inhibition of glutamate-induced channel current at holding potential of ...


J Med Chem 57: 4940-9 (2014)


Article DOI: 10.1021/jm5004705
BindingDB Entry DOI: 10.7270/Q29K4CT3
More data for this
Ligand-Target Pair
Glutamate receptor 1


(Rattus norvegicus (Rat))
BDBM50018844
PNG
(CHEMBL3286866)
Show SMILES CN(CCCC[C@H](N)C(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1c[nH]c2cccc(O)c12)CCCNC(=O)[C@@H](N)CCCNC(N)=N |r|
Show InChI InChI=1S/C35H60N12O6/c1-47(19-9-17-42-33(52)25(37)11-8-16-44-35(39)40)18-6-3-10-24(36)32(51)41-14-4-2-5-15-43-34(53)27(21-29(38)49)46-30(50)20-23-22-45-26-12-7-13-28(48)31(23)26/h7,12-13,22,24-25,27,45,48H,2-6,8-11,14-21,36-37H2,1H3,(H2,38,49)(H,41,51)(H,42,52)(H,43,53)(H,46,50)(H4,39,40,44)/t24-,25-,27-/m0/s1
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PC sid
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Article
PubMed
n/an/a 52n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GluA1 expressed in Xenopus oocytes assessed as inhibition of glutamate-induced channel current at holding potential of ...


J Med Chem 57: 4940-9 (2014)


Article DOI: 10.1021/jm5004705
BindingDB Entry DOI: 10.7270/Q29K4CT3
More data for this
Ligand-Target Pair
Glutamate receptor 1


(Rattus norvegicus (Rat))
BDBM50018843
PNG
(CHEMBL3286865)
Show SMILES C[N+](C)(CCCC[C@H](N)C(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1c[nH]c2cccc(O)c12)CCCNC(=O)[C@@H](N)CCCNC(N)=N |r|
Show InChI InChI=1S/C36H62N12O6/c1-48(2,20-10-18-43-34(53)26(38)12-9-17-45-36(40)41)19-7-4-11-25(37)33(52)42-15-5-3-6-16-44-35(54)28(22-30(39)50)47-31(51)21-24-23-46-27-13-8-14-29(49)32(24)27/h8,13-14,23,25-26,28,46H,3-7,9-12,15-22,37-38H2,1-2H3,(H10-,39,40,41,42,43,44,45,47,49,50,51,52,53,54)/p+1/t25-,26-,28-/m0/s1
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Article
PubMed
n/an/a 123n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GluA1 expressed in Xenopus oocytes assessed as inhibition of glutamate-induced channel current at holding potential of ...


J Med Chem 57: 4940-9 (2014)


Article DOI: 10.1021/jm5004705
BindingDB Entry DOI: 10.7270/Q29K4CT3
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A


(Rattus norvegicus (Rat)-RAT)
BDBM50018846
PNG
(CHEMBL3286871)
Show SMILES N[C@@H](CCCCNCCCNC(=O)[C@@H](N)CCCNC(N)=N)C(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1c[nH]c2cccc(O)c12 |r|
Show InChI InChI=1S/C34H58N12O6/c35-23(9-2-5-13-40-14-8-18-42-32(51)24(36)10-7-17-44-34(38)39)31(50)41-15-3-1-4-16-43-33(52)26(20-28(37)48)46-29(49)19-22-21-45-25-11-6-12-27(47)30(22)25/h6,11-12,21,23-24,26,40,45,47H,1-5,7-10,13-20,35-36H2,(H2,37,48)(H,41,50)(H,42,51)(H,43,52)(H,46,49)(H4,38,39,44)/t23-,24-,26-/m0/s1
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 387n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GluN1/2A expressed in Xenopus oocytes assessed as inhibition of glutamate/glycine-evoked channel current at holding pot...


J Med Chem 57: 4940-9 (2014)


Article DOI: 10.1021/jm5004705
BindingDB Entry DOI: 10.7270/Q29K4CT3
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A


(Rattus norvegicus (Rat)-RAT)
BDBM50018844
PNG
(CHEMBL3286866)
Show SMILES CN(CCCC[C@H](N)C(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1c[nH]c2cccc(O)c12)CCCNC(=O)[C@@H](N)CCCNC(N)=N |r|
Show InChI InChI=1S/C35H60N12O6/c1-47(19-9-17-42-33(52)25(37)11-8-16-44-35(39)40)18-6-3-10-24(36)32(51)41-14-4-2-5-15-43-34(53)27(21-29(38)49)46-30(50)20-23-22-45-26-12-7-13-28(48)31(23)26/h7,12-13,22,24-25,27,45,48H,2-6,8-11,14-21,36-37H2,1H3,(H2,38,49)(H,41,51)(H,42,52)(H,43,53)(H,46,50)(H4,39,40,44)/t24-,25-,27-/m0/s1
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Article
PubMed
n/an/a 1.63E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GluN1/2A expressed in Xenopus oocytes assessed as inhibition of glutamate/glycine-evoked channel current at holding pot...


J Med Chem 57: 4940-9 (2014)


Article DOI: 10.1021/jm5004705
BindingDB Entry DOI: 10.7270/Q29K4CT3
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A


(Rattus norvegicus (Rat)-RAT)
BDBM50018843
PNG
(CHEMBL3286865)
Show SMILES C[N+](C)(CCCC[C@H](N)C(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1c[nH]c2cccc(O)c12)CCCNC(=O)[C@@H](N)CCCNC(N)=N |r|
Show InChI InChI=1S/C36H62N12O6/c1-48(2,20-10-18-43-34(53)26(38)12-9-17-45-36(40)41)19-7-4-11-25(37)33(52)42-15-5-3-6-16-44-35(54)28(22-30(39)50)47-31(51)21-24-23-46-27-13-8-14-29(49)32(24)27/h8,13-14,23,25-26,28,46H,3-7,9-12,15-22,37-38H2,1-2H3,(H10-,39,40,41,42,43,44,45,47,49,50,51,52,53,54)/p+1/t25-,26-,28-/m0/s1
PDB

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Article
PubMed
n/an/a 3.85E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GluN1/2A expressed in Xenopus oocytes assessed as inhibition of glutamate/glycine-evoked channel current at holding pot...


J Med Chem 57: 4940-9 (2014)


Article DOI: 10.1021/jm5004705
BindingDB Entry DOI: 10.7270/Q29K4CT3
More data for this
Ligand-Target Pair