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Compile Data Set for Download or QSAR

Found 5 hits of kd data for polymerid = 2253   
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))
BDBM50010589
PNG
(6,7-Dihydro-5H-indeno[5,6-d][1,3]dioxol-6-ylamine ...)
Show SMILES NC1Cc2cc3OCOc3cc2C1
Show InChI InChI=1S/C10H11NO2/c11-8-1-6-3-9-10(13-5-12-9)4-7(6)2-8/h3-4,8H,1-2,5,11H2
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n/an/an/a 0.104n/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity was determined towards serotonin uptake site in presence of [3H]-paroxetine radioligand in rat brain cortical homogenate


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More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50010589
PNG
(6,7-Dihydro-5H-indeno[5,6-d][1,3]dioxol-6-ylamine ...)
Show SMILES NC1Cc2cc3OCOc3cc2C1
Show InChI InChI=1S/C10H11NO2/c11-8-1-6-3-9-10(13-5-12-9)4-7(6)2-8/h3-4,8H,1-2,5,11H2
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n/an/an/a 0.127n/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity was determined towards serotonin uptake site in presence of [3H]-paroxetine radioligand in rat hippocampal homogenate


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM22416
PNG
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
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PubMed
n/an/an/a 0.150n/an/an/an/an/a



Wake Forest University

Curated by ChEMBL


Assay Description
The potency of the [3H]paroxetine for 5-HT transporters


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50121451
PNG
(5-Methyl-6-nitro-2-piperazin-1-yl-quinoline | CHEM...)
Show SMILES Cc1c(ccc2nc(ccc12)N1CCNCC1)[N+]([O-])=O
Show InChI InChI=1S/C14H16N4O2/c1-10-11-2-5-14(17-8-6-15-7-9-17)16-12(11)3-4-13(10)18(19)20/h2-5,15H,6-9H2,1H3
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n/an/an/a 51n/an/an/an/an/a



Institutet

Curated by ChEMBL


Assay Description
Binding affinity of the radio labeled [3H]-5-Methyl-6-nitroquipazine compound against Serotonin transporter in rat frontal cortex homogenates


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50063266
PNG
(6-Nitro-2-piperazin-1-yl-quinoline | 6-nitroquipaz...)
Show SMILES [O-][N+](=O)c1ccc2nc(ccc2c1)N1CCNCC1
Show InChI InChI=1S/C13H14N4O2/c18-17(19)11-2-3-12-10(9-11)1-4-13(15-12)16-7-5-14-6-8-16/h1-4,9,14H,5-8H2
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PubMed
n/an/an/a 51n/an/an/an/an/a



Institutet

Curated by ChEMBL


Assay Description
Binding affinity of the radio labeled [3H]-5-Methyl-6-nitroquipazine compound against Serotonin transporter in rat frontal cortex homogenates


Citation and Details
More data for this
Ligand-Target Pair