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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 = 'BDBM50021220'   
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))
BDBM50021220
PNG
(CHEMBL555549 | [3-(3,4-Dichloro-phenyl)-indan-1-yl...)
Show SMILES CCN(CC)C1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H21Cl2N/c1-3-22(4-2)19-12-16(14-7-5-6-8-15(14)19)13-9-10-17(20)18(21)11-13/h5-11,16,19H,3-4,12H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 5-HT uptake in rat synaptosomal fraction


J Med Chem 28: 1817-28 (1986)


BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50021220
PNG
(CHEMBL555549 | [3-(3,4-Dichloro-phenyl)-indan-1-yl...)
Show SMILES CCN(CC)C1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H21Cl2N/c1-3-22(4-2)19-12-16(14-7-5-6-8-15(14)19)13-9-10-17(20)18(21)11-13/h5-11,16,19H,3-4,12H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 5-HT uptake in rat synaptosomal fraction


J Med Chem 28: 1817-28 (1986)


BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair