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7 similar compounds to monomer 50153628

Compile data set for download or QSAR
Wt: 443.3
BDBM50153621
Wt: 408.5
BDBM50153624
Wt: 424.5
BDBM50153625
Wt: 394.5
BDBM50153629
Wt: 406.5
BDBM50153630
Wt: 397.5
BDBM50153632
Wt: 427.3
BDBM50153633

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50153621,50153624,50153625,50153629,50153630,50153632,50153633   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50153629
PNG
(4-[2-(3-Naphthalen-2-yl-8-aza-bicyclo[3.2.1]oct-2-...)
Show SMILES C(CN1C2CCC1C=C(C2)c1ccc2ccccc2c1)Oc1cccc2[nH]ccc12
Show InChI InChI=1S/C27H26N2O/c1-2-5-20-16-21(9-8-19(20)4-1)22-17-23-10-11-24(18-22)29(23)14-15-30-27-7-3-6-26-25(27)12-13-28-26/h1-9,12-13,16-17,23-24,28H,10-11,14-15,18H2
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0.200n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin transporter


Bioorg Med Chem Lett 14: 5281-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.030
BindingDB Entry DOI: 10.7270/Q2F76C1B
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50153621
PNG
((S)-1-[3-(3,4-Dichloro-phenyl)-8-aza-bicyclo[3.2.1...)
Show SMILES O[C@H](COc1cccc2[nH]ccc12)CN1C2CCC1C=C(C2)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H24Cl2N2O2/c25-21-7-4-15(12-22(21)26)16-10-17-5-6-18(11-16)28(17)13-19(29)14-30-24-3-1-2-23-20(24)8-9-27-23/h1-4,7-10,12,17-19,27,29H,5-6,11,13-14H2/t17?,18?,19-/m0/s1
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0.380n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin transporter


Bioorg Med Chem Lett 14: 5281-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.030
BindingDB Entry DOI: 10.7270/Q2F76C1B
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50153630
PNG
(5-[2-(3-Naphthalen-2-yl-8-aza-bicyclo[3.2.1]oct-2-...)
Show SMILES C(CN1C2CCC1C=C(C2)c1ccc2ccccc2c1)Oc1cccc2ncccc12
Show InChI InChI=1S/C28H26N2O/c1-2-6-21-17-22(11-10-20(21)5-1)23-18-24-12-13-25(19-23)30(24)15-16-31-28-9-3-8-27-26(28)7-4-14-29-27/h1-11,14,17-18,24-25H,12-13,15-16,19H2
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0.400n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin transporter


Bioorg Med Chem Lett 14: 5281-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.030
BindingDB Entry DOI: 10.7270/Q2F76C1B
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50153625
PNG
((S)-1-(1H-Indol-4-yloxy)-3-(3-naphthalen-2-yl-8-az...)
Show SMILES O[C@H](COc1cccc2[nH]ccc12)CN1C2CCC1C=C(C2)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H28N2O2/c31-25(18-32-28-7-3-6-27-26(28)12-13-29-27)17-30-23-10-11-24(30)16-22(15-23)21-9-8-19-4-1-2-5-20(19)14-21/h1-9,12-15,23-25,29,31H,10-11,16-18H2/t23?,24?,25-/m0/s1
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0.540n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin transporter


Bioorg Med Chem Lett 14: 5281-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.030
BindingDB Entry DOI: 10.7270/Q2F76C1B
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50153633
PNG
(4-{3-[3-(3,4-Dichloro-phenyl)-8-aza-bicyclo[3.2.1]...)
Show SMILES Clc1ccc(cc1Cl)C1=CC2CCC(C1)N2CCCOc1cccc2[nH]ccc12
Show InChI InChI=1S/C24H24Cl2N2O/c25-21-8-5-16(15-22(21)26)17-13-18-6-7-19(14-17)28(18)11-2-12-29-24-4-1-3-23-20(24)9-10-27-23/h1,3-5,8-10,13,15,18-19,27H,2,6-7,11-12,14H2
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0.650n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin transporter


Bioorg Med Chem Lett 14: 5281-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.030
BindingDB Entry DOI: 10.7270/Q2F76C1B
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50153632
PNG
(1H-4-indolyl 3-[3-(1H-3-indolyl)-8-azabicyclo[3.2....)
Show SMILES C(COc1cccc2[nH]ccc12)CN1C2CCC1C=C(C2)c1c[nH]c2ccccc12
Show InChI InChI=1S/C26H27N3O/c1-2-6-24-21(5-1)23(17-28-24)18-15-19-9-10-20(16-18)29(19)13-4-14-30-26-8-3-7-25-22(26)11-12-27-25/h1-3,5-8,11-12,15,17,19-20,27-28H,4,9-10,13-14,16H2
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0.650n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin transporter


Bioorg Med Chem Lett 14: 5281-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.030
BindingDB Entry DOI: 10.7270/Q2F76C1B
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50153624
PNG
(1-Methyl-4-[2-(3-naphthalen-2-yl-8-aza-bicyclo[3.2...)
Show SMILES Cn1ccc2c(OCCN3C4CCC3C=C(C4)c3ccc4ccccc4c3)cccc12
Show InChI InChI=1S/C28H28N2O/c1-29-14-13-26-27(29)7-4-8-28(26)31-16-15-30-24-11-12-25(30)19-23(18-24)22-10-9-20-5-2-3-6-21(20)17-22/h2-10,13-14,17-18,24-25H,11-12,15-16,19H2,1H3
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4.40n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin transporter


Bioorg Med Chem Lett 14: 5281-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.030
BindingDB Entry DOI: 10.7270/Q2F76C1B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50153621
PNG
((S)-1-[3-(3,4-Dichloro-phenyl)-8-aza-bicyclo[3.2.1...)
Show SMILES O[C@H](COc1cccc2[nH]ccc12)CN1C2CCC1C=C(C2)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H24Cl2N2O2/c25-21-7-4-15(12-22(21)26)16-10-17-5-6-18(11-16)28(17)13-19(29)14-30-24-3-1-2-23-20(24)8-9-27-23/h1-4,7-10,12,17-19,27,29H,5-6,11,13-14H2/t17?,18?,19-/m0/s1
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107n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro binding affinity for human 5-hydroxytryptamine 1A receptor expressed in CHO cells was determined using [3H]-8-OH-DPAT radioligand


Bioorg Med Chem Lett 14: 5281-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.030
BindingDB Entry DOI: 10.7270/Q2F76C1B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50153625
PNG
((S)-1-(1H-Indol-4-yloxy)-3-(3-naphthalen-2-yl-8-az...)
Show SMILES O[C@H](COc1cccc2[nH]ccc12)CN1C2CCC1C=C(C2)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H28N2O2/c31-25(18-32-28-7-3-6-27-26(28)12-13-29-27)17-30-23-10-11-24(30)16-22(15-23)21-9-8-19-4-1-2-5-20(19)14-21/h1-9,12-15,23-25,29,31H,10-11,16-18H2/t23?,24?,25-/m0/s1
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173n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro binding affinity for human 5-hydroxytryptamine 1A receptor expressed in CHO cells was determined using [3H]-8-OH-DPAT radioligand


Bioorg Med Chem Lett 14: 5281-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.030
BindingDB Entry DOI: 10.7270/Q2F76C1B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50153629
PNG
(4-[2-(3-Naphthalen-2-yl-8-aza-bicyclo[3.2.1]oct-2-...)
Show SMILES C(CN1C2CCC1C=C(C2)c1ccc2ccccc2c1)Oc1cccc2[nH]ccc12
Show InChI InChI=1S/C27H26N2O/c1-2-5-20-16-21(9-8-19(20)4-1)22-17-23-10-11-24(18-22)29(23)14-15-30-27-7-3-6-26-25(27)12-13-28-26/h1-9,12-13,16-17,23-24,28H,10-11,14-15,18H2
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295n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro binding affinity for human 5-hydroxytryptamine 1A receptor expressed in CHO cells was determined using [3H]-8-OH-DPAT radioligand


Bioorg Med Chem Lett 14: 5281-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.030
BindingDB Entry DOI: 10.7270/Q2F76C1B
More data for this
Ligand-Target Pair