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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 = 'BDBM159335'   
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))
BDBM159335
PNG
(US9034899, 18 | US9604960, 18)
Show SMILES Clc1ccc(cc1Cl)C1CNCc2cc(ccc12)-n1ncccc1=O
Show InChI InChI=1S/C19H15Cl2N3O/c20-17-6-3-12(9-18(17)21)16-11-22-10-13-8-14(4-5-15(13)16)24-19(25)2-1-7-23-24/h1-9,16,22H,10-11H2
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 29.9n/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
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM159335
PNG
(US9034899, 18 | US9604960, 18)
Show SMILES Clc1ccc(cc1Cl)C1CNCc2cc(ccc12)-n1ncccc1=O
Show InChI InChI=1S/C19H15Cl2N3O/c20-17-6-3-12(9-18(17)21)16-11-22-10-13-8-14(4-5-15(13)16)24-19(25)2-1-7-23-24/h1-9,16,22H,10-11H2
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 30n/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