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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM84742'   
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))
BDBM84742
PNG
(CAS_106650-56-0 | NSC_5210 | sibutramine)
Show SMILES CC(C)CC(N(C)C)C1(CCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H26ClN/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14/h6-9,13,16H,5,10-12H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
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DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.14E+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))
BDBM84742
PNG
(CAS_106650-56-0 | NSC_5210 | sibutramine)
Show SMILES CC(C)CC(N(C)C)C1(CCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H26ClN/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14/h6-9,13,16H,5,10-12H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.13E+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