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BDBM50126154 CHEMBL3629577

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

InChI Key: InChIKey=VQCANMVYTKWJNM-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50126154   
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))		BDBM50126154
PNG
(CHEMBL3629577)
Show SMILES CC(C)Oc1ccc(cc1-n1c(CN2CCN(CC2)C(=O)COc2ccc(Cl)cc2)nc2ccccc2c1=O)C(=O)CF |(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,;10.4,.92,)|
Show InChI InChI=1S/C32H32ClFN4O5/c1-21(2)43-29-12-7-22(28(39)18-34)17-27(29)38-30(35-26-6-4-3-5-25(26)32(38)41)19-36-13-15-37(16-14-36)31(40)20-42-24-10-8-23(33)9-11-24/h3-12,17,21H,13-16,18-20H2,1-2H3
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n/an/a 40n/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