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Compile Data Set for Download or QSAR

Found 4 hits with Last Name = 'aisa' and Initial = 'b'   
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))
BDBM50346446
PNG
(4-[4-(3-benzo[b]thiophen-3-yl-3-hydroxypropylamino...)
Show SMILES OC(CCNC1CCN(CC1)c1ccc(cc1)C#N)c1csc2ccccc12
Show InChI InChI=1S/C23H25N3OS/c24-15-17-5-7-19(8-6-17)26-13-10-18(11-14-26)25-12-9-22(27)21-16-28-23-4-2-1-3-20(21)23/h1-8,16,18,22,25,27H,9-14H2
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Article
PubMed
n/an/a 3.66E+3n/an/an/an/an/an/a



University of Navarra

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from of SERT in rat midbrain homogenates after 5 mins by scintillation counting


J Med Chem 54: 3086-90 (2011)


Article DOI: 10.1021/jm2000773
BindingDB Entry DOI: 10.7270/Q26T0N0M
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50346445
PNG
(1-Benzo[b]thiophen-3-yl-3-[1-(4-nitro-2-trifluorom...)
Show SMILES [O-][N+](=O)c1ccc(N2CC[C@@H](C2)NCCC(=O)c2csc3ccccc23)c(c1)C(F)(F)F
Show InChI InChI=1S/C22H20F3N3O3S/c23-22(24,25)18-11-15(28(30)31)5-6-19(18)27-10-8-14(12-27)26-9-7-20(29)17-13-32-21-4-2-1-3-16(17)21/h1-6,11,13-14,26H,7-10,12H2/t14-/m0/s1
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n/an/a 7.02E+3n/an/an/an/an/an/a



University of Navarra

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from of SERT in rat midbrain homogenates after 5 mins by scintillation counting


J Med Chem 54: 3086-90 (2011)


Article DOI: 10.1021/jm2000773
BindingDB Entry DOI: 10.7270/Q26T0N0M
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM30130
PNG
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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Article
PubMed
n/an/a 8.30E+3n/an/an/an/an/an/a



University of Navarra

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from of SERT in rat midbrain homogenates after 5 mins by scintillation counting


J Med Chem 54: 3086-90 (2011)


Article DOI: 10.1021/jm2000773
BindingDB Entry DOI: 10.7270/Q26T0N0M
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50346447
PNG
(4-[4-(3-benzo[b]thiophen-3-yl-3-hydroxypropyl)-[1,...)
Show SMILES OC(CCN1CCCN(CC1)c1ccc(cc1)C#N)c1csc2ccccc12
Show InChI InChI=1S/C23H25N3OS/c24-16-18-6-8-19(9-7-18)26-12-3-11-25(14-15-26)13-10-22(27)21-17-28-23-5-2-1-4-20(21)23/h1-2,4-9,17,22,27H,3,10-15H2
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 5.78E+4n/an/an/an/an/an/a



University of Navarra

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from of SERT in rat midbrain homogenates after 5 mins by scintillation counting


J Med Chem 54: 3086-90 (2011)


Article DOI: 10.1021/jm2000773
BindingDB Entry DOI: 10.7270/Q26T0N0M
More data for this
Ligand-Target Pair