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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'SLC6A3' and Ligand = 'BDBM50011396'   
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
SLC6A3


(BOVINE)
BDBM50011396
PNG
(8-Methyl-3-(4-nitro-phenylcarbamoyloxy)-8-aza-bicy...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1OC(=O)Nc1ccc(cc1)[N+]([O-])=O)N2C
Show InChI InChI=1S/C17H21N3O6/c1-19-12-7-8-13(19)15(16(21)25-2)14(9-12)26-17(22)18-10-3-5-11(6-4-10)20(23)24/h3-6,12-15H,7-9H2,1-2H3,(H,18,22)/t12-,13?,14+,15?/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.09E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards [3H]cocaine binding to rat striatal tissue


J Med Chem 34: 702-5 (1991)


Article DOI: 10.1021/jm00106a035
BindingDB Entry DOI: 10.7270/Q2X34Z21
More data for this
Ligand-Target Pair