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BDBM50126157 CHEMBL3629580

SMILES: CC(C)Oc1ccc(cc1-n1c(CN2CCN(CC2)C(=O)COc2ccc(Cl)cc2)nc2ccccc2c1=O)C(=O)CN1CCN(C)CC1

InChI Key: InChIKey=BKXVJIGHOPYEME-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50126157   
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
Cystine/glutamate transporter


(Homo sapiens (Human))		BDBM50126157
PNG
(CHEMBL3629580)
Show SMILES CC(C)Oc1ccc(cc1-n1c(CN2CCN(CC2)C(=O)COc2ccc(Cl)cc2)nc2ccccc2c1=O)C(=O)CN1CCN(C)CC1 |(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,;14.4,-1.4,;12,-1.55,;10.67,-.77,)|
Show InChI InChI=1S/C37H43ClN6O5/c1-26(2)49-34-13-8-27(33(45)23-41-16-14-40(3)15-17-41)22-32(34)44-35(39-31-7-5-4-6-30(31)37(44)47)24-42-18-20-43(21-19-42)36(46)25-48-29-11-9-28(38)10-12-29/h4-13,22,26H,14-21,23-25H2,1-3H3
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n/an/a 300n/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)


BindingDB Entry DOI: 10.7270/Q27H1MD5
More data for this
Ligand-Target Pair