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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 = 'BDBM159337'   
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))
BDBM159337
PNG
(US9034899, 25 | US9604960, 25)
Show SMILES Cc1noc(C)c1-c1ccc2C(CNCc2c1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H18Cl2N2O/c1-11-20(12(2)25-24-11)14-3-5-16-15(7-14)9-23-10-17(16)13-4-6-18(21)19(22)8-13/h3-8,17,23H,9-10H2,1-2H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 47n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)


BindingDB Entry DOI: 10.7270/Q2QC05KM
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM159337
PNG
(US9034899, 25 | US9604960, 25)
Show SMILES Cc1noc(C)c1-c1ccc2C(CNCc2c1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H18Cl2N2O/c1-11-20(12(2)25-24-11)14-3-5-16-15(7-14)9-23-10-17(16)13-4-6-18(21)19(22)8-13/h3-8,17,23H,9-10H2,1-2H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 47.3n/an/an/an/a7.94



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9034899 (2015)


BindingDB Entry DOI: 10.7270/Q20000VT
More data for this
Ligand-Target Pair