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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM82548'   
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


(Homo sapiens (Human))
BDBM82548
PNG
(CAS_897-15-4 | Dothiepin | NSC_3155)
Show SMILES CN(C)CCC=C1c2ccccc2CSc2ccccc12 |w:5.4|
Show InChI InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3
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Article
PubMed
8.60n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




Eur J Pharmacol 340: 249-58 (1997)


Article DOI: 10.1016/s0014-2999(97)01393-9
BindingDB Entry DOI: 10.7270/Q2V69H3D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM82548
PNG
(CAS_897-15-4 | Dothiepin | NSC_3155)
Show SMILES CN(C)CCC=C1c2ccccc2CSc2ccccc12 |w:5.4|
Show InChI InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3
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UniProtKB/SwissProt

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MCE
PC cid
PC sid
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Article
PubMed
31.3n/an/an/an/an/an/an/an/a



Boots Pharmaceuticals

Curated by PDSP Ki Database




Neuropharmacology 32: 737-43 (1993)


Article DOI: 10.1016/0028-3908(93)90181-2
BindingDB Entry DOI: 10.7270/Q22J69D4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM82548
PNG
(CAS_897-15-4 | Dothiepin | NSC_3155)
Show SMILES CN(C)CCC=C1c2ccccc2CSc2ccccc12 |w:5.4|
Show InChI InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
77.8n/an/an/an/an/an/an/an/a



Boots Pharmaceuticals

Curated by PDSP Ki Database




Neuropharmacology 32: 737-43 (1993)


Article DOI: 10.1016/0028-3908(93)90181-2
BindingDB Entry DOI: 10.7270/Q22J69D4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM82548
PNG
(CAS_897-15-4 | Dothiepin | NSC_3155)
Show SMILES CN(C)CCC=C1c2ccccc2CSc2ccccc12 |w:5.4|
Show InChI InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
78n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


Article DOI: 10.1023/a:1006986824213
BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair