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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50337836'   
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))
BDBM50337836
PNG
(1-(1-(3-chloro-4-fluorophenyl)cyclohexyl)-N,N-dime...)
Show SMILES CN(C)CC1(CCCCC1)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C15H21ClFN/c1-18(2)11-15(8-4-3-5-9-15)12-6-7-14(17)13(16)10-12/h6-7,10H,3-5,8-9,11H2,1-2H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/a 11n/an/an/an/an/an/a



SUNOVION PHARAMCEUTICALS INC.

US Patent


Assay Description
Inhibition of human dopamine reuptake transporter was assayed using the recombinant human dopamine transporter expressed in either CHO-K1 or HEK293 c...


US Patent US10562878 (2020)


BindingDB Entry DOI: 10.7270/Q2XP77BX
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50337836
PNG
(1-(1-(3-chloro-4-fluorophenyl)cyclohexyl)-N,N-dime...)
Show SMILES CN(C)CC1(CCCCC1)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C15H21ClFN/c1-18(2)11-15(8-4-3-5-9-15)12-6-7-14(17)13(16)10-12/h6-7,10H,3-5,8-9,11H2,1-2H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dopamine transporter


Bioorg Med Chem Lett 21: 1438-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.016
BindingDB Entry DOI: 10.7270/Q2S46S72
More data for this
Ligand-Target Pair