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PubMed code 19874209

Compile data set for download or QSAR
Found 11 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
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM233049
PNG
(2-[2-(6-Chloropyrrolo[2,3-b]pyridin-1-yl)ethyl]dec...)
Show SMILES Clc1ccc2ccn(CCN3CCCN4CCCCC4C3)c2n1
Show InChI InChI=1S/C18H25ClN4/c19-17-6-5-15-7-11-23(18(15)20-17)13-12-21-8-3-10-22-9-2-1-4-16(22)14-21/h5-7,11,16H,1-4,8-10,12-14H2
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160n/an/an/an/an/an/an/an/a



University of Orléans



Assay Description
1H nuclear magnetic resonance (NMR) and 13C NMR spectra were recorded on a Bruker Avance DPX250 spectrometer (250.131 MHz), in CDCl3 and using tetram...


J Enzyme Inhib Med Chem 25: 301-5 (2010)


Article DOI: 10.3109/14756360903179393
BindingDB Entry DOI: 10.7270/Q2B85708
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM233048
PNG
(2-[2-(6-Bromopyrrolo[2,3-b]pyridin-1-yl)ethyl]deca...)
Show SMILES Brc1ccc2ccn(CCN3CCCN4CCCCC4C3)c2n1
Show InChI InChI=1S/C18H25BrN4/c19-17-6-5-15-7-11-23(18(15)20-17)13-12-21-8-3-10-22-9-2-1-4-16(22)14-21/h5-7,11,16H,1-4,8-10,12-14H2
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492n/an/an/an/an/an/an/an/a



University of Orléans



Assay Description
1H nuclear magnetic resonance (NMR) and 13C NMR spectra were recorded on a Bruker Avance DPX250 spectrometer (250.131 MHz), in CDCl3 and using tetram...


J Enzyme Inhib Med Chem 25: 301-5 (2010)


Article DOI: 10.3109/14756360903179393
BindingDB Entry DOI: 10.7270/Q2B85708
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM233045
PNG
(2-[2-(7-Chloropyrrolo[2,3-c]pyridin-1-yl)ethyl]dec...)
Show SMILES Clc1nccc2ccn(CCN3CCCN4CCCCC4C3)c12
Show InChI InChI=1S/C18H25ClN4/c19-18-17-15(5-7-20-18)6-11-23(17)13-12-21-8-3-10-22-9-2-1-4-16(22)14-21/h5-7,11,16H,1-4,8-10,12-14H2
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5.31E+3n/an/an/an/an/an/an/an/a



University of Orléans



Assay Description
1H nuclear magnetic resonance (NMR) and 13C NMR spectra were recorded on a Bruker Avance DPX250 spectrometer (250.131 MHz), in CDCl3 and using tetram...


J Enzyme Inhib Med Chem 25: 301-5 (2010)


Article DOI: 10.3109/14756360903179393
BindingDB Entry DOI: 10.7270/Q2B85708
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM233046
PNG
(2-[(2-Pyrrolo[2,3-c]pyridin-1-yl)ethyl]decahydropy...)
Show SMILES C(Cn1ccc2ccncc12)N1CCCN2CCCCC2C1
Show InChI InChI=1S/C18H26N4/c1-2-9-21-10-3-8-20(15-17(21)4-1)12-13-22-11-6-16-5-7-19-14-18(16)22/h5-7,11,14,17H,1-4,8-10,12-13,15H2
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Orléans



Assay Description
1H nuclear magnetic resonance (NMR) and 13C NMR spectra were recorded on a Bruker Avance DPX250 spectrometer (250.131 MHz), in CDCl3 and using tetram...


J Enzyme Inhib Med Chem 25: 301-5 (2010)


Article DOI: 10.3109/14756360903179393
BindingDB Entry DOI: 10.7270/Q2B85708
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM233046
PNG
(2-[(2-Pyrrolo[2,3-c]pyridin-1-yl)ethyl]decahydropy...)
Show SMILES C(Cn1ccc2ccncc12)N1CCCN2CCCCC2C1
Show InChI InChI=1S/C18H26N4/c1-2-9-21-10-3-8-20(15-17(21)4-1)12-13-22-11-6-16-5-7-19-14-18(16)22/h5-7,11,14,17H,1-4,8-10,12-13,15H2
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Orléans



Assay Description
1H nuclear magnetic resonance (NMR) and 13C NMR spectra were recorded on a Bruker Avance DPX250 spectrometer (250.131 MHz), in CDCl3 and using tetram...


J Enzyme Inhib Med Chem 25: 301-5 (2010)


Article DOI: 10.3109/14756360903179393
BindingDB Entry DOI: 10.7270/Q2B85708
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM233044
PNG
(2-(2-Pyrrolo[2,3-b]pyridin-1-ylethyl)decahydropyri...)
Show SMILES C(Cn1ccc2cccnc12)N1CCCN2CCCCC2C1
Show InChI InChI=1S/C18H26N4/c1-2-10-21-11-4-9-20(15-17(21)6-1)13-14-22-12-7-16-5-3-8-19-18(16)22/h3,5,7-8,12,17H,1-2,4,6,9-11,13-15H2
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1.40E+4n/an/an/an/an/an/an/an/a



University of Orléans



Assay Description
1H nuclear magnetic resonance (NMR) and 13C NMR spectra were recorded on a Bruker Avance DPX250 spectrometer (250.131 MHz), in CDCl3 and using tetram...


J Enzyme Inhib Med Chem 25: 301-5 (2010)


Article DOI: 10.3109/14756360903179393
BindingDB Entry DOI: 10.7270/Q2B85708
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM233048
PNG
(2-[2-(6-Bromopyrrolo[2,3-b]pyridin-1-yl)ethyl]deca...)
Show SMILES Brc1ccc2ccn(CCN3CCCN4CCCCC4C3)c2n1
Show InChI InChI=1S/C18H25BrN4/c19-17-6-5-15-7-11-23(18(15)20-17)13-12-21-8-3-10-22-9-2-1-4-16(22)14-21/h5-7,11,16H,1-4,8-10,12-14H2
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1.49E+4n/an/an/an/an/an/an/an/a



University of Orléans



Assay Description
1H nuclear magnetic resonance (NMR) and 13C NMR spectra were recorded on a Bruker Avance DPX250 spectrometer (250.131 MHz), in CDCl3 and using tetram...


J Enzyme Inhib Med Chem 25: 301-5 (2010)


Article DOI: 10.3109/14756360903179393
BindingDB Entry DOI: 10.7270/Q2B85708
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM233049
PNG
(2-[2-(6-Chloropyrrolo[2,3-b]pyridin-1-yl)ethyl]dec...)
Show SMILES Clc1ccc2ccn(CCN3CCCN4CCCCC4C3)c2n1
Show InChI InChI=1S/C18H25ClN4/c19-17-6-5-15-7-11-23(18(15)20-17)13-12-21-8-3-10-22-9-2-1-4-16(22)14-21/h5-7,11,16H,1-4,8-10,12-14H2
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1.50E+4n/an/an/an/an/an/an/an/a



University of Orléans



Assay Description
1H nuclear magnetic resonance (NMR) and 13C NMR spectra were recorded on a Bruker Avance DPX250 spectrometer (250.131 MHz), in CDCl3 and using tetram...


J Enzyme Inhib Med Chem 25: 301-5 (2010)


Article DOI: 10.3109/14756360903179393
BindingDB Entry DOI: 10.7270/Q2B85708
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM233045
PNG
(2-[2-(7-Chloropyrrolo[2,3-c]pyridin-1-yl)ethyl]dec...)
Show SMILES Clc1nccc2ccn(CCN3CCCN4CCCCC4C3)c12
Show InChI InChI=1S/C18H25ClN4/c19-18-17-15(5-7-20-18)6-11-23(17)13-12-21-8-3-10-22-9-2-1-4-16(22)14-21/h5-7,11,16H,1-4,8-10,12-14H2
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1.60E+4n/an/an/an/an/an/an/an/a



University of Orléans



Assay Description
1H nuclear magnetic resonance (NMR) and 13C NMR spectra were recorded on a Bruker Avance DPX250 spectrometer (250.131 MHz), in CDCl3 and using tetram...


J Enzyme Inhib Med Chem 25: 301-5 (2010)


Article DOI: 10.3109/14756360903179393
BindingDB Entry DOI: 10.7270/Q2B85708
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM233047
PNG
(1-[2-(Octahydropyrido[1,2-a][1,4]diazepin-2-yl)eth...)
Show SMILES O=c1[nH]c2ccccc2n1CCN1CCCN2CCCCC2C1
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2.36E+4n/an/an/an/an/an/an/an/a



University of Orléans



Assay Description
1H nuclear magnetic resonance (NMR) and 13C NMR spectra were recorded on a Bruker Avance DPX250 spectrometer (250.131 MHz), in CDCl3 and using tetram...


J Enzyme Inhib Med Chem 25: 301-5 (2010)


Article DOI: 10.3109/14756360903179393
BindingDB Entry DOI: 10.7270/Q2B85708
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM233044
PNG
(2-(2-Pyrrolo[2,3-b]pyridin-1-ylethyl)decahydropyri...)
Show SMILES C(Cn1ccc2cccnc12)N1CCCN2CCCCC2C1
Show InChI InChI=1S/C18H26N4/c1-2-10-21-11-4-9-20(15-17(21)6-1)13-14-22-12-7-16-5-3-8-19-18(16)22/h3,5,7-8,12,17H,1-2,4,6,9-11,13-15H2
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2.45E+4n/an/an/an/an/an/an/an/a



University of Orléans



Assay Description
1H nuclear magnetic resonance (NMR) and 13C NMR spectra were recorded on a Bruker Avance DPX250 spectrometer (250.131 MHz), in CDCl3 and using tetram...


J Enzyme Inhib Med Chem 25: 301-5 (2010)


Article DOI: 10.3109/14756360903179393
BindingDB Entry DOI: 10.7270/Q2B85708
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%