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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'SLC6A3' and Ligand = 'BDBM50011395'   
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)
BDBM50011395
PNG
(3-(3-Amino-phenylcarbamoyloxy)-8-methyl-8-aza-bicy...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1OC(=O)Nc1cccc(N)c1)N2C
Show InChI InChI=1S/C17H23N3O4/c1-20-12-6-7-13(20)15(16(21)23-2)14(9-12)24-17(22)19-11-5-3-4-10(18)8-11/h3-5,8,12-15H,6-7,9,18H2,1-2H3,(H,19,22)/t12-,13?,14+,15?/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.07E+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