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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transporter' and Ligand = 'BDBM50196223'   
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
Transporter


(Rattus norvegicus)		BDBM50196223
PNG
(CHEMBL384104 | S-(+)-N-allyl-2beta-carboethoxy-3al...)
Show SMILES CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CC=C |TLB:12:11:28:8.7,THB:3:5:28:8.7|
Show InChI InChI=1S/C26H29F2NO3/c1-3-15-29-21-13-14-22(29)24(26(30)31-4-2)23(16-21)32-25(17-5-9-19(27)10-6-17)18-7-11-20(28)12-8-18/h3,5-12,21-25H,1,4,13-16H2,2H3/t21?,22?,23-,24+/m0/s1
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UniChem

Similars
Article
PubMed
 935n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in Sprague-Dawley rat brain

J Med Chem 49: 6391-9 (2006)


Article DOI: 10.1021/jm060762q
BindingDB Entry DOI: 10.7270/Q2WD41D4
More data for this
Ligand-Target Pair