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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 = 'BDBM50216256'   
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))
BDBM50216256
PNG
((6S,10bR)-6-(H-imidazo[1,2-a]pyridin-3-yl)-9-(3-mo...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cnc2ccccn12)CN1CCOCC1
Show InChI InChI=1S/C26H32N4O2/c1-2-11-30-25(18-27-26(30)6-1)23-19-29-10-3-5-24(29)22-17-20(7-8-21(22)23)32-14-4-9-28-12-15-31-16-13-28/h1-2,6-8,11,17-18,23-24H,3-5,9-10,12-16,19H2/t23-,24-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
39n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
BindingDB Entry DOI: 10.7270/Q22Z157G
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50216256
PNG
((6S,10bR)-6-(H-imidazo[1,2-a]pyridin-3-yl)-9-(3-mo...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cnc2ccccn12)CN1CCOCC1
Show InChI InChI=1S/C26H32N4O2/c1-2-11-30-25(18-27-26(30)6-1)23-19-29-10-3-5-24(29)22-17-20(7-8-21(22)23)32-14-4-9-28-12-15-31-16-13-28/h1-2,6-8,11,17-18,23-24H,3-5,9-10,12-16,19H2/t23-,24-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
119n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
BindingDB Entry DOI: 10.7270/Q22Z157G
More data for this
Ligand-Target Pair