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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50526257   
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- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50526257
PNG
(CHEMBL4555282)
Show SMILES Cl.OC(=O)C1CCCN(CCO\N=C\c2sccc2-c2ccc(Cl)cc2Cl)C1
Show InChI InChI=1S/C19H20Cl2N2O3S.ClH/c20-14-3-4-15(17(21)10-14)16-5-9-27-18(16)11-22-26-8-7-23-6-1-2-13(12-23)19(24)25;/h3-5,9-11,13H,1-2,6-8,12H2,(H,24,25);1H/b22-11+;
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 12n/an/an/an/an/an/an/an/a



Ludwig-Maximilians-University M£nchen

Curated by ChEMBL


Assay Description
Binding affinity to mouse GAT-1 expressed in HEK293 cells after 4 hrs in presence of NO711 by LC-ESI-MS/ms analysis

Bioorg Med Chem 27: 1232-1245 (2019)


Article DOI: 10.1016/j.bmc.2019.02.015
BindingDB Entry DOI: 10.7270/Q2P272J5
More data for this
Ligand-Target Pair