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BDBM50209490 3-{2-[bis-(4-fluorophenyl)methoxy]ethyl}-6-[(E)-3-thiophen-2-ylallyl]-3,6-diazabicyclo[3.1.1]heptane fumarate

SMILES: Fc1ccc(cc1)C(OCCN1CC2CC(C1)N2C\C=C\c1cccs1)c1ccc(F)cc1

InChI Key: InChIKey=JDQFILCCEHSVIU-HNQUOIGGSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50209490   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50209490
PNG
(3-{2-[bis-(4-fluorophenyl)methoxy]ethyl}-6-[(E)-3-...)
Show SMILES Fc1ccc(cc1)C(OCCN1CC2CC(C1)N2C\C=C\c1cccs1)c1ccc(F)cc1 |w:13.13,15.16,TLB:10:11:17:14,18:17:11.12.16:14|
Show InChI InChI=1S/C27H28F2N2OS/c28-22-9-5-20(6-10-22)27(21-7-11-23(29)12-8-21)32-15-14-30-18-24-17-25(19-30)31(24)13-1-3-26-4-2-16-33-26/h1-12,16,24-25,27H,13-15,17-19H2/b3-1+
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Similars
Article
PubMed
 13n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at DAT in Sprague-Dawley rat striatum synaptosome

Bioorg Med Chem 15: 3748-55 (2007)


Article DOI: 10.1016/j.bmc.2007.03.035
BindingDB Entry DOI: 10.7270/Q2M61M3F
More data for this
Ligand-Target Pair