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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Transporter' and Ligand = 'BDBM364427'   
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 (rat))		BDBM364427
PNG
(US10913711, Compound 10a | US11555013, Compound 10...)
Show SMILES CC(O)CN1CCN(CCS(=O)C(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C22H30N2O2S/c1-19(25)18-24-14-12-23(13-15-24)16-17-27(26)22(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,19,22,25H,12-18H2,1H3
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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
US Patent
>0n/an/an/an/an/an/an/an/a


TBA

Assay Description
Norepinephrine Transporter Binding Assay. Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, fron...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2ST7TRG
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))		BDBM364427
PNG
(US10913711, Compound 10a | US11555013, Compound 10...)
Show SMILES CC(O)CN1CCN(CCS(=O)C(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C22H30N2O2S/c1-19(25)18-24-14-12-23(13-15-24)16-17-27(26)22(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,19,22,25H,12-18H2,1H3
Reactome pathway

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
>1.00E+5n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...

J Med Chem 48: 7688-707 (2005)


BindingDB Entry DOI: 10.7270/Q2PR7Z87
More data for this
Ligand-Target Pair