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BDBM50189523 CHEMBL379107::N-(4-(3-(4-(2-(bis(4-fluorophenyl)methoxy)ethyl)piperazin-1-yl)propyl)phenyl)-11-(5-(2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)undecanamide

SMILES: Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccc(NC(=O)CCCCCCCCCCNC(=O)CCCCC3SCC4NC(=O)NC34)cc2)CC1)c1ccc(F)cc1

InChI Key: InChIKey=QEEDIXLXNLXRBG-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50189523   
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


(Homo sapiens (Human))		BDBM50189523
PNG
(CHEMBL379107 | N-(4-(3-(4-(2-(bis(4-fluorophenyl)m...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccc(NC(=O)CCCCCCCCCCNC(=O)CCCCC3SCC4NC(=O)NC34)cc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C49H68F2N6O4S/c50-40-22-18-38(19-23-40)48(39-20-24-41(51)25-21-39)61-35-34-57-32-30-56(31-33-57)29-11-12-37-16-26-42(27-17-37)53-46(59)15-7-5-3-1-2-4-6-10-28-52-45(58)14-9-8-13-44-47-43(36-62-44)54-49(60)55-47/h16-27,43-44,47-48H,1-15,28-36H2,(H,52,58)(H,53,59)(H2,54,55,60)
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Similars
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at dopamine transporter

Bioorg Med Chem Lett 16: 4664-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.097
BindingDB Entry DOI: 10.7270/Q26H4H1T
More data for this
Ligand-Target Pair