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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50118289'   
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 dopamine transporter


(Homo sapiens (Human))
BDBM50118289
PNG
(7-Naphthalen-2-yl-8,9-dihydro-7H-7a,10-diaza-penta...)
Show SMILES OC1(N2CCN=C2c2c1ccc1ccccc21)c1ccc2ccccc2c1 |c:5|
Show InChI InChI=1S/C24H18N2O/c27-24(19-11-9-16-5-1-2-7-18(16)15-19)21-12-10-17-6-3-4-8-20(17)22(21)23-25-13-14-26(23)24/h1-12,15,27H,13-14H2
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PubMed
2.83n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of [125I]- RTI -55 binding at the Dopamine transporter sites on HEK-hDAT cells


J Med Chem 45: 4110-8 (2002)


BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50118289
PNG
(7-Naphthalen-2-yl-8,9-dihydro-7H-7a,10-diaza-penta...)
Show SMILES OC1(N2CCN=C2c2c1ccc1ccccc21)c1ccc2ccccc2c1 |c:5|
Show InChI InChI=1S/C24H18N2O/c27-24(19-11-9-16-5-1-2-7-18(16)15-19)21-12-10-17-6-3-4-8-20(17)22(21)23-25-13-14-26(23)24/h1-12,15,27H,13-14H2
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PubMed
n/an/a 3.30n/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Ability to displace [3H]- WIN 35,428 from dopamine transporter on guinea pig striatal membrane.


J Med Chem 45: 4110-8 (2002)


BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50118289
PNG
(7-Naphthalen-2-yl-8,9-dihydro-7H-7a,10-diaza-penta...)
Show SMILES OC1(N2CCN=C2c2c1ccc1ccccc21)c1ccc2ccccc2c1 |c:5|
Show InChI InChI=1S/C24H18N2O/c27-24(19-11-9-16-5-1-2-7-18(16)15-19)21-12-10-17-6-3-4-8-20(17)22(21)23-25-13-14-26(23)24/h1-12,15,27H,13-14H2
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n/an/a 38n/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program/NIH

Curated by ChEMBL


Assay Description
Ability to displace [3H]-WIN-35,428 from dopamine transporter in rat caudate putamen tissue


J Med Chem 45: 4119-27 (2002)


BindingDB Entry DOI: 10.7270/Q21Z43R6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50118289
PNG
(7-Naphthalen-2-yl-8,9-dihydro-7H-7a,10-diaza-penta...)
Show SMILES OC1(N2CCN=C2c2c1ccc1ccccc21)c1ccc2ccccc2c1 |c:5|
Show InChI InChI=1S/C24H18N2O/c27-24(19-11-9-16-5-1-2-7-18(16)15-19)21-12-10-17-6-3-4-8-20(17)22(21)23-25-13-14-26(23)24/h1-12,15,27H,13-14H2
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 38.1n/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Ability to displace [3H]- WIN 35,428 from dopamine transporter on rat striatal membrane.


J Med Chem 45: 4110-8 (2002)


BindingDB Entry DOI: 10.7270/Q25Q4VF3
More data for this
Ligand-Target Pair