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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Transporter' and Ligand = 'BDBM50367569'   
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
Transporter


(Rattus norvegicus)
BDBM50367569
PNG
(CHEMBL1743775)
Show SMILES CSc1ccc(cc1)[C@@H]1CN2CCC[C@H]2c2ccccc12 |r|
Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18-,19-/m0/s1
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UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
2.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of dopamine (DA) uptake into rat brain synaptosomes


J Med Chem 27: 943-6 (1984)


BindingDB Entry DOI: 10.7270/Q2VT1SPH
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50367569
PNG
(CHEMBL1743775)
Show SMILES CSc1ccc(cc1)[C@@H]1CN2CCC[C@H]2c2ccccc12 |r|
Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18-,19-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
127n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair