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Compile Data Set for Download or QSAR

Found 5 hits of ki for monomerid = 50145357   
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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50145357
PNG
(1-{2-[4-(7-Cyano-1H-indol-3-yl)-3,6-dihydro-2H-pyr...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(cccc34)C#N)OCCc2c1 |c:13|
Show InChI InChI=1S/C26H26N4O2/c27-15-20-2-1-3-22-23(16-29-25(20)22)17-6-10-30(11-7-17)12-8-24-21-5-4-19(26(28)31)14-18(21)9-13-32-24/h1-6,14,16,24,29H,7-13H2,(H2,28,31)
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2.10n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50145357
PNG
(1-{2-[4-(7-Cyano-1H-indol-3-yl)-3,6-dihydro-2H-pyr...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(cccc34)C#N)OCCc2c1 |c:13|
Show InChI InChI=1S/C26H26N4O2/c27-15-20-2-1-3-22-23(16-29-25(20)22)17-6-10-30(11-7-17)12-8-24-21-5-4-19(26(28)31)14-18(21)9-13-32-24/h1-6,14,16,24,29H,7-13H2,(H2,28,31)
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15n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity determined against dopamine receptor D2 in rat caudate membranes using [3H]- raclopride as radioligand


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50145357
PNG
(1-{2-[4-(7-Cyano-1H-indol-3-yl)-3,6-dihydro-2H-pyr...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(cccc34)C#N)OCCc2c1 |c:13|
Show InChI InChI=1S/C26H26N4O2/c27-15-20-2-1-3-22-23(16-29-25(20)22)17-6-10-30(11-7-17)12-8-24-21-5-4-19(26(28)31)14-18(21)9-13-32-24/h1-6,14,16,24,29H,7-13H2,(H2,28,31)
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130n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor in L-M(tk-) cells using [3H]GR-125743 as radioligand


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50145357
PNG
(1-{2-[4-(7-Cyano-1H-indol-3-yl)-3,6-dihydro-2H-pyr...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(cccc34)C#N)OCCc2c1 |c:13|
Show InChI InChI=1S/C26H26N4O2/c27-15-20-2-1-3-22-23(16-29-25(20)22)17-6-10-30(11-7-17)12-8-24-21-5-4-19(26(28)31)14-18(21)9-13-32-24/h1-6,14,16,24,29H,7-13H2,(H2,28,31)
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134n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity determined against alpha-1 adrenergic receptor in rat cortex membranes using [3H]prazosin as radioligand


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50145357
PNG
(1-{2-[4-(7-Cyano-1H-indol-3-yl)-3,6-dihydro-2H-pyr...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(cccc34)C#N)OCCc2c1 |c:13|
Show InChI InChI=1S/C26H26N4O2/c27-15-20-2-1-3-22-23(16-29-25(20)22)17-6-10-30(11-7-17)12-8-24-21-5-4-19(26(28)31)14-18(21)9-13-32-24/h1-6,14,16,24,29H,7-13H2,(H2,28,31)
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>1.00E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1B receptor in L-M(tk-) cells using [3H]GR-125743 as radioligand


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair