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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cystine/glutamate transporter' and Ligand = 'BDBM50126156'   
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
Cystine/glutamate transporter


(Homo sapiens (Human))		BDBM50126156
PNG
(CHEMBL3629579)
Show SMILES CC(C)Oc1ccc(cc1-n1c(CN2CCN(CC2)C(=O)COc2ccc(Cl)cc2)nc2ccccc2c1=O)C(=O)CN1CCOCC1 |(1.61,6.02,;2.67,5.4,;3.74,6.01,;2.67,3.85,;4,3.08,;5.33,3.85,;6.67,3.07,;6.66,1.53,;5.33,.77,;4,1.54,;2.66,.77,;2.66,-.77,;3.99,-1.54,;3.99,-3.08,;5.32,-3.86,;5.32,-5.4,;3.98,-6.16,;2.65,-5.39,;2.66,-3.85,;3.97,-7.7,;5.04,-8.33,;2.64,-8.47,;2.63,-10.01,;1.29,-10.77,;1.28,-12.31,;-.06,-13.07,;-1.39,-12.29,;-2.46,-12.9,;-1.38,-10.75,;-.04,-9.99,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.33,2.77,;8,.76,;8,-.47,;9.33,1.54,;10.67,.77,;12,1.53,;13.34,.76,;13.33,-.78,;12,-1.55,;10.67,-.77,)|
Show InChI InChI=1S/C36H40ClN5O6/c1-25(2)48-33-12-7-26(32(43)22-40-17-19-46-20-18-40)21-31(33)42-34(38-30-6-4-3-5-29(30)36(42)45)23-39-13-15-41(16-14-39)35(44)24-47-28-10-8-27(37)9-11-28/h3-12,21,25H,13-20,22-24H2,1-2H3
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Article
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n/an/a 10n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of Xct in human CCF-STTG1 cells assessed as glutamate release after 2 hrs by fluorometry

Bioorg Med Chem Lett 25: 4787-92 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.018
BindingDB Entry DOI: 10.7270/Q27H1MD5
More data for this
Ligand-Target Pair