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Compile Data Set for Download or QSAR

Found 44 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 3222   
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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM29546
PNG
(benzimidazolone scaffold, 15d)
Show SMILES COc1ccccc1N1CCN(CCCn2c3ccccc3[nH]c2=O)CC1
Show InChI InChI=1S/C21H26N4O2/c1-27-20-10-5-4-9-19(20)24-15-13-23(14-16-24)11-6-12-25-18-8-3-2-7-17(18)22-21(25)26/h2-5,7-10H,6,11-16H2,1H3,(H,22,26)
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3.40 -50.3n/an/an/an/an/a7.437



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM29548
PNG
(benzimidazolone scaffold, 15f)
Show SMILES COc1ccccc1N1CCN(CCCCn2c3ccccc3[nH]c2=O)CC1
Show InChI InChI=1S/C22H28N4O2/c1-28-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-19-9-3-2-8-18(19)23-22(26)27/h2-5,8-11H,6-7,12-17H2,1H3,(H,23,27)
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6 -48.8n/an/an/an/an/a7.437



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM29549
PNG
(benzimidazolone scaffold, 15g)
Show SMILES O=c1[nH]c2ccccc2n1CCCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H28N4O/c27-22-23-20-11-5-6-12-21(20)26(22)14-8-2-7-13-24-15-17-25(18-16-24)19-9-3-1-4-10-19/h1,3-6,9-12H,2,7-8,13-18H2,(H,23,27)
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6n/an/an/an/an/an/an/an/a



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM29554
PNG
(benzimidazolone scaffold, 15m)
Show SMILES Clc1ccc(cc1)N1CCN(CCCCCn2c3ccccc3[nH]c2=O)CC1
Show InChI InChI=1S/C22H27ClN4O/c23-18-8-10-19(11-9-18)26-16-14-25(15-17-26)12-4-1-5-13-27-21-7-3-2-6-20(21)24-22(27)28/h2-3,6-11H,1,4-5,12-17H2,(H,24,28)
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7n/an/an/an/an/an/an/an/a



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM29553
PNG
(benzimidazolone scaffold, 15k)
Show SMILES Clc1cccc(c1)N1CCN(CCCCCn2c3ccccc3[nH]c2=O)CC1
Show InChI InChI=1S/C22H27ClN4O/c23-18-7-6-8-19(17-18)26-15-13-25(14-16-26)11-4-1-5-12-27-21-10-3-2-9-20(21)24-22(27)28/h2-3,6-10,17H,1,4-5,11-16H2,(H,24,28)
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11n/an/an/an/an/an/an/an/a



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM29552
PNG
(benzimidazolone scaffold, 15j)
Show SMILES COc1ccccc1N1CCN(CCCCCCn2c3ccccc3[nH]c2=O)CC1
Show InChI InChI=1S/C24H32N4O2/c1-30-23-13-7-6-12-22(23)27-18-16-26(17-19-27)14-8-2-3-9-15-28-21-11-5-4-10-20(21)25-24(28)29/h4-7,10-13H,2-3,8-9,14-19H2,1H3,(H,25,29)
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12 -47.0n/an/an/an/an/a7.437



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM29551
PNG
(benzimidazolone scaffold, 15i)
Show SMILES O=c1[nH]c2ccccc2n1CCCCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C23H30N4O/c28-23-24-21-12-6-7-13-22(21)27(23)15-9-2-1-8-14-25-16-18-26(19-17-25)20-10-4-3-5-11-20/h3-7,10-13H,1-2,8-9,14-19H2,(H,24,28)
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20n/an/an/an/an/an/an/an/a



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM29540
PNG
(benzimidazolone scaffold, 8h)
Show SMILES COc1ccc(cc1)-n1c2ccccc2n(CCN2CCN(CC2)c2ccccc2OC)c1=O
Show InChI InChI=1S/C27H30N4O3/c1-33-22-13-11-21(12-14-22)31-24-8-4-3-7-23(24)30(27(31)32)20-17-28-15-18-29(19-16-28)25-9-5-6-10-26(25)34-2/h3-14H,15-20H2,1-2H3
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22 -45.5n/an/an/an/an/a7.437



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM29544
PNG
(benzimidazolone scaffold, 15b)
Show SMILES COc1ccccc1N1CCN(CCn2c3ccccc3[nH]c2=O)CC1
Show InChI InChI=1S/C20H24N4O2/c1-26-19-9-5-4-8-18(19)23-13-10-22(11-14-23)12-15-24-17-7-3-2-6-16(17)21-20(24)25/h2-9H,10-15H2,1H3,(H,21,25)
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25 -45.1n/an/an/an/an/a7.437



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM29541
PNG
(benzimidazolone scaffold, 17d)
Show SMILES COc1ccc(cc1)-n1c2ccccc2n(CCCN2CCN(CC2)c2ccccc2OC)c1=O
Show InChI InChI=1S/C28H32N4O3/c1-34-23-14-12-22(13-15-23)32-25-9-4-3-8-24(25)31(28(32)33)17-7-16-29-18-20-30(21-19-29)26-10-5-6-11-27(26)35-2/h3-6,8-15H,7,16-21H2,1-2H3
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26 -45.0n/an/an/an/an/a7.437



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM29545
PNG
(benzimidazolone scaffold, 15c)
Show SMILES O=c1[nH]c2ccccc2n1CCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C20H24N4O/c25-20-21-18-9-4-5-10-19(18)24(20)12-6-11-22-13-15-23(16-14-22)17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2,(H,21,25)
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26 -45.0n/an/an/an/an/a7.437



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM29548
PNG
(benzimidazolone scaffold, 15f)
Show SMILES COc1ccccc1N1CCN(CCCCn2c3ccccc3[nH]c2=O)CC1
Show InChI InChI=1S/C22H28N4O2/c1-28-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-19-9-3-2-8-18(19)23-22(26)27/h2-5,8-11H,6-7,12-17H2,1H3,(H,23,27)
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26n/an/an/an/an/an/an/an/a



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM29550
PNG
(benzimidazolone scaffold, 15h)
Show SMILES COc1ccccc1N1CCN(CCCCCn2c3ccccc3[nH]c2=O)CC1
Show InChI InChI=1S/C23H30N4O2/c1-29-22-12-6-5-11-21(22)26-17-15-25(16-18-26)13-7-2-8-14-27-20-10-4-3-9-19(20)24-23(27)28/h3-6,9-12H,2,7-8,13-18H2,1H3,(H,24,28)
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33 -44.4n/an/an/an/an/a7.437



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM29542
PNG
(benzimidazolone scaffold, 17f)
Show SMILES COc1ccc(cc1)-n1c2ccccc2n(CCCCN2CCN(CC2)c2ccccc2OC)c1=O
Show InChI InChI=1S/C29H34N4O3/c1-35-24-15-13-23(14-16-24)33-26-10-4-3-9-25(26)32(29(33)34)18-8-7-17-30-19-21-31(22-20-30)27-11-5-6-12-28(27)36-2/h3-6,9-16H,7-8,17-22H2,1-2H3
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36 -44.2n/an/an/an/an/a7.437



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM29550
PNG
(benzimidazolone scaffold, 15h)
Show SMILES COc1ccccc1N1CCN(CCCCCn2c3ccccc3[nH]c2=O)CC1
Show InChI InChI=1S/C23H30N4O2/c1-29-22-12-6-5-11-21(22)26-17-15-25(16-18-26)13-7-2-8-14-27-20-10-4-3-9-19(20)24-23(27)28/h3-6,9-12H,2,7-8,13-18H2,1H3,(H,24,28)
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38n/an/an/an/an/an/an/an/a



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM29546
PNG
(benzimidazolone scaffold, 15d)
Show SMILES COc1ccccc1N1CCN(CCCn2c3ccccc3[nH]c2=O)CC1
Show InChI InChI=1S/C21H26N4O2/c1-27-20-10-5-4-9-19(20)24-15-13-23(14-16-24)11-6-12-25-18-8-3-2-7-17(18)22-21(25)26/h2-5,7-10H,6,11-16H2,1H3,(H,22,26)
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40n/an/an/an/an/an/an/an/a



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM29547
PNG
(benzimidazolone scaffold, 15e)
Show SMILES O=c1[nH]c2ccccc2n1CCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H26N4O/c26-21-22-19-10-4-5-11-20(19)25(21)13-7-6-12-23-14-16-24(17-15-23)18-8-2-1-3-9-18/h1-5,8-11H,6-7,12-17H2,(H,22,26)
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48n/an/an/an/an/an/an/an/a



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM29551
PNG
(benzimidazolone scaffold, 15i)
Show SMILES O=c1[nH]c2ccccc2n1CCCCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C23H30N4O/c28-23-24-21-12-6-7-13-22(21)27(23)15-9-2-1-8-14-25-16-18-26(19-17-25)20-10-4-3-5-11-20/h3-7,10-13H,1-2,8-9,14-19H2,(H,24,28)
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48 -43.5n/an/an/an/an/a7.437



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM29553
PNG
(benzimidazolone scaffold, 15k)
Show SMILES Clc1cccc(c1)N1CCN(CCCCCn2c3ccccc3[nH]c2=O)CC1
Show InChI InChI=1S/C22H27ClN4O/c23-18-7-6-8-19(17-18)26-15-13-25(14-16-26)11-4-1-5-12-27-21-10-3-2-9-20(21)24-22(27)28/h2-3,6-10,17H,1,4-5,11-16H2,(H,24,28)
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66 -42.6n/an/an/an/an/a7.437



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM29552
PNG
(benzimidazolone scaffold, 15j)
Show SMILES COc1ccccc1N1CCN(CCCCCCn2c3ccccc3[nH]c2=O)CC1
Show InChI InChI=1S/C24H32N4O2/c1-30-23-13-7-6-12-22(23)27-18-16-26(17-19-27)14-8-2-3-9-15-28-21-11-5-4-10-20(21)25-24(28)29/h4-7,10-13H,2-3,8-9,14-19H2,1H3,(H,25,29)
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78n/an/an/an/an/an/an/an/a



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM29547
PNG
(benzimidazolone scaffold, 15e)
Show SMILES O=c1[nH]c2ccccc2n1CCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H26N4O/c26-21-22-19-10-4-5-11-20(19)25(21)13-7-6-12-23-14-16-24(17-15-23)18-8-2-1-3-9-18/h1-5,8-11H,6-7,12-17H2,(H,22,26)
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84 -42.0n/an/an/an/an/a7.437



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM29537
PNG
(benzimidazolone scaffold, 8e)
Show SMILES Cc1ccccc1N1CCN(CCn2c3ccccc3n(-c3ccccc3)c2=O)CC1
Show InChI InChI=1S/C26H28N4O/c1-21-9-5-6-12-23(21)28-18-15-27(16-19-28)17-20-29-24-13-7-8-14-25(24)30(26(29)31)22-10-3-2-4-11-22/h2-14H,15-20H2,1H3
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168 -40.2n/an/an/an/an/a7.437



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM29541
PNG
(benzimidazolone scaffold, 17d)
Show SMILES COc1ccc(cc1)-n1c2ccccc2n(CCCN2CCN(CC2)c2ccccc2OC)c1=O
Show InChI InChI=1S/C28H32N4O3/c1-34-23-14-12-22(13-15-23)32-25-9-4-3-8-24(25)31(28(32)33)17-7-16-29-18-20-30(21-19-29)26-10-5-6-11-27(26)35-2/h3-6,8-15H,7,16-21H2,1-2H3
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168n/an/an/an/an/an/an/an/a



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM29539
PNG
(benzimidazolone scaffold, 8g)
Show SMILES COc1cccc(c1)-n1c2ccccc2n(CCN2CCN(CC2)c2ccccc2C)c1=O
Show InChI InChI=1S/C27H30N4O2/c1-21-8-3-4-11-24(21)29-17-14-28(15-18-29)16-19-30-25-12-5-6-13-26(25)31(27(30)32)22-9-7-10-23(20-22)33-2/h3-13,20H,14-19H2,1-2H3
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182 -40.0n/an/an/an/an/a7.437



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM29545
PNG
(benzimidazolone scaffold, 15c)
Show SMILES O=c1[nH]c2ccccc2n1CCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C20H24N4O/c25-20-21-18-9-4-5-10-19(18)24(20)12-6-11-22-13-15-23(16-14-22)17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2,(H,21,25)
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243n/an/an/an/an/an/an/an/a



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM29542
PNG
(benzimidazolone scaffold, 17f)
Show SMILES COc1ccc(cc1)-n1c2ccccc2n(CCCCN2CCN(CC2)c2ccccc2OC)c1=O
Show InChI InChI=1S/C29H34N4O3/c1-35-24-15-13-23(14-16-24)33-26-10-4-3-9-25(26)32(29(33)34)18-8-7-17-30-19-21-31(22-20-30)27-11-5-6-12-28(27)36-2/h3-6,9-16H,7-8,17-22H2,1-2H3
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267n/an/an/an/an/an/an/an/a



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM29549
PNG
(benzimidazolone scaffold, 15g)
Show SMILES O=c1[nH]c2ccccc2n1CCCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H28N4O/c27-22-23-20-11-5-6-12-21(20)26(22)14-8-2-7-13-24-15-17-25(18-16-24)19-9-3-1-4-10-19/h1,3-6,9-12H,2,7-8,13-18H2,(H,23,27)
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269 -39.0n/an/an/an/an/a7.437



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM29540
PNG
(benzimidazolone scaffold, 8h)
Show SMILES COc1ccc(cc1)-n1c2ccccc2n(CCN2CCN(CC2)c2ccccc2OC)c1=O
Show InChI InChI=1S/C27H30N4O3/c1-33-22-13-11-21(12-14-22)31-24-8-4-3-7-23(24)30(27(31)32)20-17-28-15-18-29(19-16-28)25-9-5-6-10-26(25)34-2/h3-14H,15-20H2,1-2H3
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296n/an/an/an/an/an/an/an/a



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM29536
PNG
(benzimidazolone scaffold, 8d)
Show SMILES COc1ccc(cc1)-n1c2ccccc2n(CCN2CCN(CC2)c2ccccc2)c1=O
Show InChI InChI=1S/C26H28N4O2/c1-32-23-13-11-22(12-14-23)30-25-10-6-5-9-24(25)29(26(30)31)20-17-27-15-18-28(19-16-27)21-7-3-2-4-8-21/h2-14H,15-20H2,1H3
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340 -38.4n/an/an/an/an/a7.437



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM29538
PNG
(benzimidazolone scaffold, 8f)
Show SMILES Cc1ccccc1N1CCN(CCn2c3ccccc3n(-c3ccccc3C)c2=O)CC1 |(1.69,4.1,;1.69,5.64,;3.03,6.41,;3.03,7.95,;1.69,8.72,;.36,7.95,;.36,6.41,;-.97,5.64,;-2.31,6.41,;-3.64,5.64,;-3.64,4.1,;-4.97,3.33,;-6.31,4.1,;-7.64,3.33,;-8.89,4.29,;-9.05,5.82,;-10.46,6.45,;-11.7,5.54,;-11.54,4.01,;-10.13,3.38,;-9.66,1.86,;-10.57,.62,;-12.09,.87,;-13.07,-.32,;-12.53,-1.76,;-11.01,-2.01,;-10.03,-.82,;-8.51,-1.07,;-8.12,1.86,;-7.21,.61,;-2.31,3.32,;-.97,4.1,)|
Show InChI InChI=1S/C27H30N4O/c1-21-9-3-5-11-23(21)29-18-15-28(16-19-29)17-20-30-25-13-7-8-14-26(25)31(27(30)32)24-12-6-4-10-22(24)2/h3-14H,15-20H2,1-2H3
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375 -38.2n/an/an/an/an/a7.437



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM29543
PNG
(benzimidazolone scaffold, 15a)
Show SMILES O=c1[nH]c2ccccc2n1CCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C19H22N4O/c24-19-20-17-8-4-5-9-18(17)23(19)15-12-21-10-13-22(14-11-21)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,20,24)
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392 -38.0n/an/an/an/an/a7.437



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM29554
PNG
(benzimidazolone scaffold, 15m)
Show SMILES Clc1ccc(cc1)N1CCN(CCCCCn2c3ccccc3[nH]c2=O)CC1
Show InChI InChI=1S/C22H27ClN4O/c23-18-8-10-19(11-9-18)26-16-14-25(15-17-26)12-4-1-5-13-27-21-7-3-2-6-20(21)24-22(27)28/h2-3,6-11H,1,4-5,12-17H2,(H,24,28)
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454 -37.7n/an/an/an/an/a7.437



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM29533
PNG
(benzimidazolone scaffold, 8a)
Show SMILES O=c1n(CCN2CCN(CC2)c2ccccc2)c2ccccc2n1-c1ccccc1
Show InChI InChI=1S/C25H26N4O/c30-25-28(20-17-26-15-18-27(19-16-26)21-9-3-1-4-10-21)23-13-7-8-14-24(23)29(25)22-11-5-2-6-12-22/h1-14H,15-20H2
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467 -37.6n/an/an/an/an/a7.437



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM29536
PNG
(benzimidazolone scaffold, 8d)
Show SMILES COc1ccc(cc1)-n1c2ccccc2n(CCN2CCN(CC2)c2ccccc2)c1=O
Show InChI InChI=1S/C26H28N4O2/c1-32-23-13-11-22(12-14-23)30-25-10-6-5-9-24(25)29(26(30)31)20-17-27-15-18-28(19-16-27)21-7-3-2-4-8-21/h2-14H,15-20H2,1H3
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566n/an/an/an/an/an/an/an/a



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM29534
PNG
(benzimidazolone scaffold, 8b)
Show SMILES Cc1ccccc1-n1c2ccccc2n(CCN2CCN(CC2)c2ccccc2)c1=O |(-8.51,-1.07,;-10.03,-.82,;-11.01,-2.01,;-12.53,-1.76,;-13.07,-.32,;-12.09,.87,;-10.57,.62,;-9.66,1.86,;-10.13,3.38,;-11.54,4.01,;-11.7,5.54,;-10.46,6.45,;-9.05,5.82,;-8.89,4.29,;-7.64,3.33,;-6.31,4.1,;-4.97,3.33,;-3.64,4.1,;-3.64,5.64,;-2.31,6.41,;-.97,5.64,;-.97,4.1,;-2.31,3.32,;.36,6.41,;.36,7.95,;1.69,8.72,;3.03,7.95,;3.03,6.41,;1.69,5.64,;-8.12,1.86,;-7.21,.61,)|
Show InChI InChI=1S/C26H28N4O/c1-21-9-5-6-12-23(21)30-25-14-8-7-13-24(25)29(26(30)31)20-17-27-15-18-28(19-16-27)22-10-3-2-4-11-22/h2-14H,15-20H2,1H3
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636 -36.8n/an/an/an/an/a7.437



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM29535
PNG
(benzimidazolone scaffold, 8c)
Show SMILES COc1cccc(c1)-n1c2ccccc2n(CCN2CCN(CC2)c2ccccc2)c1=O
Show InChI InChI=1S/C26H28N4O2/c1-32-23-11-7-10-22(20-23)30-25-13-6-5-12-24(25)29(26(30)31)19-16-27-14-17-28(18-15-27)21-8-3-2-4-9-21/h2-13,20H,14-19H2,1H3
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646 -36.8n/an/an/an/an/a7.437



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM29535
PNG
(benzimidazolone scaffold, 8c)
Show SMILES COc1cccc(c1)-n1c2ccccc2n(CCN2CCN(CC2)c2ccccc2)c1=O
Show InChI InChI=1S/C26H28N4O2/c1-32-23-11-7-10-22(20-23)30-25-13-6-5-12-24(25)29(26(30)31)19-16-27-14-17-28(18-15-27)21-8-3-2-4-9-21/h2-13,20H,14-19H2,1H3
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864n/an/an/an/an/an/an/an/a



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM29534
PNG
(benzimidazolone scaffold, 8b)
Show SMILES Cc1ccccc1-n1c2ccccc2n(CCN2CCN(CC2)c2ccccc2)c1=O |(-8.51,-1.07,;-10.03,-.82,;-11.01,-2.01,;-12.53,-1.76,;-13.07,-.32,;-12.09,.87,;-10.57,.62,;-9.66,1.86,;-10.13,3.38,;-11.54,4.01,;-11.7,5.54,;-10.46,6.45,;-9.05,5.82,;-8.89,4.29,;-7.64,3.33,;-6.31,4.1,;-4.97,3.33,;-3.64,4.1,;-3.64,5.64,;-2.31,6.41,;-.97,5.64,;-.97,4.1,;-2.31,3.32,;.36,6.41,;.36,7.95,;1.69,8.72,;3.03,7.95,;3.03,6.41,;1.69,5.64,;-8.12,1.86,;-7.21,.61,)|
Show InChI InChI=1S/C26H28N4O/c1-21-9-5-6-12-23(21)30-25-14-8-7-13-24(25)29(26(30)31)20-17-27-15-18-28(19-16-27)22-10-3-2-4-11-22/h2-14H,15-20H2,1H3
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902n/an/an/an/an/an/an/an/a



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM29543
PNG
(benzimidazolone scaffold, 15a)
Show SMILES O=c1[nH]c2ccccc2n1CCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C19H22N4O/c24-19-20-17-8-4-5-9-18(17)23(19)15-12-21-10-13-22(14-11-21)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,20,24)
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1.03E+3n/an/an/an/an/an/an/an/a



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM29533
PNG
(benzimidazolone scaffold, 8a)
Show SMILES O=c1n(CCN2CCN(CC2)c2ccccc2)c2ccccc2n1-c1ccccc1
Show InChI InChI=1S/C25H26N4O/c30-25-28(20-17-26-15-18-27(19-16-26)21-9-3-1-4-10-21)23-13-7-8-14-24(23)29(25)22-11-5-2-6-12-22/h1-14H,15-20H2
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1.23E+3n/an/an/an/an/an/an/an/a



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM29544
PNG
(benzimidazolone scaffold, 15b)
Show SMILES COc1ccccc1N1CCN(CCn2c3ccccc3[nH]c2=O)CC1
Show InChI InChI=1S/C20H24N4O2/c1-26-19-9-5-4-8-18(19)23-13-10-22(11-14-23)12-15-24-17-7-3-2-6-16(17)21-20(24)25/h2-9H,10-15H2,1H3,(H,21,25)
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1.84E+3n/an/an/an/an/an/an/an/a



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM29537
PNG
(benzimidazolone scaffold, 8e)
Show SMILES Cc1ccccc1N1CCN(CCn2c3ccccc3n(-c3ccccc3)c2=O)CC1
Show InChI InChI=1S/C26H28N4O/c1-21-9-5-6-12-23(21)28-18-15-27(16-19-28)17-20-29-24-13-7-8-14-25(24)30(26(29)31)22-10-3-2-4-11-22/h2-14H,15-20H2,1H3
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1.87E+3n/an/an/an/an/an/an/an/a



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM29539
PNG
(benzimidazolone scaffold, 8g)
Show SMILES COc1cccc(c1)-n1c2ccccc2n(CCN2CCN(CC2)c2ccccc2C)c1=O
Show InChI InChI=1S/C27H30N4O2/c1-21-8-3-4-11-24(21)29-17-14-28(15-18-29)16-19-30-25-12-5-6-13-26(25)31(27(30)32)22-9-7-10-23(20-22)33-2/h3-13,20H,14-19H2,1-2H3
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2.50E+3n/an/an/an/an/an/an/an/a



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM29538
PNG
(benzimidazolone scaffold, 8f)
Show SMILES Cc1ccccc1N1CCN(CCn2c3ccccc3n(-c3ccccc3C)c2=O)CC1 |(1.69,4.1,;1.69,5.64,;3.03,6.41,;3.03,7.95,;1.69,8.72,;.36,7.95,;.36,6.41,;-.97,5.64,;-2.31,6.41,;-3.64,5.64,;-3.64,4.1,;-4.97,3.33,;-6.31,4.1,;-7.64,3.33,;-8.89,4.29,;-9.05,5.82,;-10.46,6.45,;-11.7,5.54,;-11.54,4.01,;-10.13,3.38,;-9.66,1.86,;-10.57,.62,;-12.09,.87,;-13.07,-.32,;-12.53,-1.76,;-11.01,-2.01,;-10.03,-.82,;-8.51,-1.07,;-8.12,1.86,;-7.21,.61,;-2.31,3.32,;-.97,4.1,)|
Show InChI InChI=1S/C27H30N4O/c1-21-9-3-5-11-23(21)29-18-15-28(16-19-29)17-20-30-25-13-7-8-14-26(25)31(27(30)32)24-12-6-4-10-22(24)2/h3-14H,15-20H2,1-2H3
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1.80E+4n/an/an/an/an/an/an/an/a



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair