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BDBM50444872 CHEMBL3099501

SMILES: Oc1ccc(CN[C@H]2CC[C@@H](CC(c3ccccc3)c3ccccc3)OC2)cc1

InChI Key: InChIKey=DYAJSMZCHHYRQQ-ZCYQVOJMSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50444872   
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
Transporter


(Rattus norvegicus (rat))		BDBM50444872
PNG
(CHEMBL3099501)
Show SMILES Oc1ccc(CN[C@H]2CC[C@@H](CC(c3ccccc3)c3ccccc3)OC2)cc1 |r|
Show InChI InChI=1S/C26H29NO2/c28-24-14-11-20(12-15-24)18-27-23-13-16-25(29-19-23)17-26(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-12,14-15,23,25-28H,13,16-19H2/t23-,25-/m0/s1
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Similars
Article
PubMed
 181n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]-dopamine from rat cerebral cortex NET after 7 mins

Bioorg Med Chem 22: 311-24 (2013)


Article DOI: 10.1016/j.bmc.2013.11.017
BindingDB Entry DOI: 10.7270/Q2FB54D1
More data for this
Ligand-Target Pair