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Compile Data Set for Download or QSAR

Found 11 hits with Last Name = 'aitken' and Initial = 'dj'   
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
Neurokinin 1 receptor


(Homo sapiens (human))
BDBM50000040
PNG
(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H32N2O/c1-31-25-15-9-8-14-24(25)20-29-27-23-16-18-30(19-17-23)28(27)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-29H,16-20H2,1H3/t27-,28-/m0/s1
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PubMed
3.10n/an/an/an/an/an/an/an/a



Laboratoire de Chimie Thérapeutique associé au CNRS et à l'Université René Descartes (UMR 8638)

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 1 expressed in CHO cells using [3H]-[Pro9]-SP as radioligand


Bioorg Med Chem Lett 11: 659-61 (2001)


Article DOI: 10.1016/s0960-894x(01)00020-8
BindingDB Entry DOI: 10.7270/Q2CJ8CR0
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (human))
BDBM50097646
PNG
((2-Methoxy-benzyl)-[1-(methylamino-phenyl-methyl)-...)
Show SMILES CNC(c1ccccc1)C1(CC1)NCc1ccccc1OC
Show InChI InChI=1S/C19H24N2O/c1-20-18(15-8-4-3-5-9-15)19(12-13-19)21-14-16-10-6-7-11-17(16)22-2/h3-11,18,20-21H,12-14H2,1-2H3
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150n/an/an/an/an/an/an/an/a



Laboratoire de Chimie Thérapeutique associé au CNRS et à l'Université René Descartes (UMR 8638)

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 1 expressed in CHO cells using [3H]-[Pro9]-SP as radioligand


Bioorg Med Chem Lett 11: 659-61 (2001)


Article DOI: 10.1016/s0960-894x(01)00020-8
BindingDB Entry DOI: 10.7270/Q2CJ8CR0
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (human))
BDBM50097647
PNG
((3,5-Bis-trifluoromethyl-benzyl)-[1-(methylamino-p...)
Show SMILES CNC(c1ccccc1)C1(CC1)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H20F6N2/c1-27-17(14-5-3-2-4-6-14)18(7-8-18)28-12-13-9-15(19(21,22)23)11-16(10-13)20(24,25)26/h2-6,9-11,17,27-28H,7-8,12H2,1H3
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620n/an/an/an/an/an/an/an/a



Laboratoire de Chimie Thérapeutique associé au CNRS et à l'Université René Descartes (UMR 8638)

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 1 expressed in CHO cells using [3H]-[Pro9]-SP as radioligand


Bioorg Med Chem Lett 11: 659-61 (2001)


Article DOI: 10.1016/s0960-894x(01)00020-8
BindingDB Entry DOI: 10.7270/Q2CJ8CR0
More data for this
Ligand-Target Pair
Excitatory Amino Acid EAAT2


()
BDBM50197103
PNG
((2S,1'R,2'S)-2-(2'-Carboxycyclobutyl)glycine | CHE...)
Show SMILES N[C@@H]([C@@H]1CC[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C7H11NO4/c8-5(7(11)12)3-1-2-4(3)6(9)10/h3-5H,1-2,8H2,(H,9,10)(H,11,12)/t3-,4+,5+/m1/s1
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6.60E+3n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human EAAT2 expressed in HEK293 cells by FLIPR membrane potential assay


J Med Chem 49: 6532-8 (2006)


Article DOI: 10.1021/jm060822s
BindingDB Entry DOI: 10.7270/Q2S46RMK
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 3


(HUMAN)
BDBM50197103
PNG
((2S,1'R,2'S)-2-(2'-Carboxycyclobutyl)glycine | CHE...)
Show SMILES N[C@@H]([C@@H]1CC[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C7H11NO4/c8-5(7(11)12)3-1-2-4(3)6(9)10/h3-5H,1-2,8H2,(H,9,10)(H,11,12)/t3-,4+,5+/m1/s1
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1.00E+4n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human EAAT3 expressed in HEK293 cells by FLIPR membrane potential assay


J Med Chem 49: 6532-8 (2006)


Article DOI: 10.1021/jm060822s
BindingDB Entry DOI: 10.7270/Q2S46RMK
More data for this
Ligand-Target Pair
Excitatory Amino Acid EAAT2


()
BDBM50197104
PNG
((2S,1'R,2'R)-2-(2'-Carboxycyclobutyl)glycine | CHE...)
Show SMILES N[C@@H]([C@@H]1CC[C@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C7H11NO4/c8-5(7(11)12)3-1-2-4(3)6(9)10/h3-5H,1-2,8H2,(H,9,10)(H,11,12)/t3-,4-,5+/m1/s1
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2.20E+4n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human EAAT2 expressed in HEK293 cells by FLIPR membrane potential assay


J Med Chem 49: 6532-8 (2006)


Article DOI: 10.1021/jm060822s
BindingDB Entry DOI: 10.7270/Q2S46RMK
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 3


(HUMAN)
BDBM50197104
PNG
((2S,1'R,2'R)-2-(2'-Carboxycyclobutyl)glycine | CHE...)
Show SMILES N[C@@H]([C@@H]1CC[C@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C7H11NO4/c8-5(7(11)12)3-1-2-4(3)6(9)10/h3-5H,1-2,8H2,(H,9,10)(H,11,12)/t3-,4-,5+/m1/s1
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4.90E+4n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human EAAT3 expressed in HEK293 cells by FLIPR membrane potential assay


J Med Chem 49: 6532-8 (2006)


Article DOI: 10.1021/jm060822s
BindingDB Entry DOI: 10.7270/Q2S46RMK
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 3


(HUMAN)
BDBM50197105
PNG
((2S,1'S,2'R)-2-(2'-Carboxycyclobutyl)glycine | CHE...)
Show SMILES N[C@@H]([C@H]1CC[C@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C7H11NO4/c8-5(7(11)12)3-1-2-4(3)6(9)10/h3-5H,1-2,8H2,(H,9,10)(H,11,12)/t3-,4+,5-/m0/s1
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5.20E+4n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human EAAT3 expressed in HEK293 cells by FLIPR membrane potential assay


J Med Chem 49: 6532-8 (2006)


Article DOI: 10.1021/jm060822s
BindingDB Entry DOI: 10.7270/Q2S46RMK
More data for this
Ligand-Target Pair
Excitatory Amino Acid EAAT2


()
BDBM50197105
PNG
((2S,1'S,2'R)-2-(2'-Carboxycyclobutyl)glycine | CHE...)
Show SMILES N[C@@H]([C@H]1CC[C@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C7H11NO4/c8-5(7(11)12)3-1-2-4(3)6(9)10/h3-5H,1-2,8H2,(H,9,10)(H,11,12)/t3-,4+,5-/m0/s1
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1.10E+5n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human EAAT2 expressed in HEK293 cells by FLIPR membrane potential assay


J Med Chem 49: 6532-8 (2006)


Article DOI: 10.1021/jm060822s
BindingDB Entry DOI: 10.7270/Q2S46RMK
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(HUMAN)
BDBM50197105
PNG
((2S,1'S,2'R)-2-(2'-Carboxycyclobutyl)glycine | CHE...)
Show SMILES N[C@@H]([C@H]1CC[C@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C7H11NO4/c8-5(7(11)12)3-1-2-4(3)6(9)10/h3-5H,1-2,8H2,(H,9,10)(H,11,12)/t3-,4+,5-/m0/s1
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2.00E+5n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human EAAT1 expressed in HEK293 cells by FLIPR membrane potential assay


J Med Chem 49: 6532-8 (2006)


Article DOI: 10.1021/jm060822s
BindingDB Entry DOI: 10.7270/Q2S46RMK
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(HUMAN)
BDBM50197103
PNG
((2S,1'R,2'S)-2-(2'-Carboxycyclobutyl)glycine | CHE...)
Show SMILES N[C@@H]([C@@H]1CC[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C7H11NO4/c8-5(7(11)12)3-1-2-4(3)6(9)10/h3-5H,1-2,8H2,(H,9,10)(H,11,12)/t3-,4+,5+/m1/s1
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2.00E+5n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human EAAT1 expressed in HEK293 cells by FLIPR membrane potential assay


J Med Chem 49: 6532-8 (2006)


Article DOI: 10.1021/jm060822s
BindingDB Entry DOI: 10.7270/Q2S46RMK
More data for this
Ligand-Target Pair