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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Monoamine transporters; serotonin & dopamine' and Ligand = 'BDBM287956'   
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
Monoamine transporters; serotonin & dopamine


(Homo sapiens (human))
BDBM287956
PNG
(2-(4-(dimethylamino)phenyl)-N-(2- phenyl-2-(pyridi...)
Show SMILES CN(C)c1ccc(cc1)-c1nc(NCC(c2ccccc2)c2cccnc2)c2ccccc2n1
Show InChI InChI=1S/C29H27N5/c1-34(2)24-16-14-22(15-17-24)28-32-27-13-7-6-12-25(27)29(33-28)31-20-26(21-9-4-3-5-10-21)23-11-8-18-30-19-23/h3-19,26H,20H2,1-2H3,(H,31,32,33)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 24n/an/a7.4n/a



THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTE OF HEALTH; SOUTHERN RESEARCH INSTITUTE

US Patent


Assay Description
Uptake inhibition assay for the dopamine transporter was conducted in rat brain synaptosomes as described elsewhere with minor modifications (Rothman...


US Patent US10087148 (2018)

More data for this
Ligand-Target Pair