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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50130349'   
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
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50130349
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCCc1ccc(N=[N+]=[N-])c(I)c1 |TLB:25:6:1:4.3,THB:9:7:1:4.3|
Show InChI InChI=1S/C30H29F2IN4O3/c1-37-23-11-13-26(37)28(30(38)39-15-14-18-2-12-25(35-36-34)24(33)16-18)27(17-23)40-29(19-3-7-21(31)8-4-19)20-5-9-22(32)10-6-20/h2-10,12,16,23,26-29H,11,13-15,17H2,1H3/t23?,26?,27-,28+/m0/s1
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n/an/a 210n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of dopamine transporter using [3H]WIN-35428 as radioligand was determined

J Med Chem 46: 2908-16 (2003)


Article DOI: 10.1021/jm0300375
BindingDB Entry DOI: 10.7270/Q2BG2PQ0
More data for this
Ligand-Target Pair