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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 = 'BDBM50302907'   
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))
BDBM50302907
PNG
(2-(N-Cyclopropylamino)-3-chloropropiophenone | CHE...)
Show SMILES CC(NC1CC1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C12H14ClNO/c1-8(14-11-5-6-11)12(15)9-3-2-4-10(13)7-9/h2-4,7-8,11,14H,5-6H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.42E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50302907
PNG
(2-(N-Cyclopropylamino)-3-chloropropiophenone | CHE...)
Show SMILES CC(NC1CC1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C12H14ClNO/c1-8(14-11-5-6-11)12(15)9-3-2-4-10(13)7-9/h2-4,7-8,11,14H,5-6H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.18E+3n/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Inhibition of SERT-mediated serotonin uptake in rat synaptosomes


ACS Med Chem Lett 5: 623-7 (2014)


Article DOI: 10.1021/ml500113s
BindingDB Entry DOI: 10.7270/Q2FN17SS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50302907
PNG
(2-(N-Cyclopropylamino)-3-chloropropiophenone | CHE...)
Show SMILES CC(NC1CC1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C12H14ClNO/c1-8(14-11-5-6-11)12(15)9-3-2-4-10(13)7-9/h2-4,7-8,11,14H,5-6H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.18E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50302907
PNG
(2-(N-Cyclopropylamino)-3-chloropropiophenone | CHE...)
Show SMILES CC(NC1CC1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C12H14ClNO/c1-8(14-11-5-6-11)12(15)9-3-2-4-10(13)7-9/h2-4,7-8,11,14H,5-6H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.33E+3n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Induction of SERT-mediated serotonin release in rat synaptosomes


ACS Med Chem Lett 5: 623-7 (2014)


Article DOI: 10.1021/ml500113s
BindingDB Entry DOI: 10.7270/Q2FN17SS
More data for this
Ligand-Target Pair