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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 = 'BDBM50323773'   
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))
BDBM50323773
PNG
(CHEMBL1214007 | N-((E)-4-Fluorobut-2-en-1-yl)-2bet...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Br)cc1)N2C\C=C\CF
Show InChI InChI=1S/C19H23BrFNO2/c1-24-19(23)18-16(13-4-6-14(20)7-5-13)12-15-8-9-17(18)22(15)11-3-2-10-21/h2-7,15-18H,8-12H2,1H3/b3-2+/t15?,16-,17?,18+/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.400n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from human DAT


J Med Chem 53: 5549-57 (2010)


Article DOI: 10.1021/jm100269c
BindingDB Entry DOI: 10.7270/Q2KK9CRK
More data for this
Ligand-Target Pair