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BDBM50503313 CHEMBL4454263

SMILES: Cn1ccc(CC(=O)Nc2nnc(s2)[C@H]2C[C@]3(C[C@@H](C3)c3nnc(NC(=O)Cc4ccn(C)n4)s3)C2)n1

InChI Key: InChIKey=GFQQMSSEDOSDLD-GJDIJTJZSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50503313   
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
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM50503313
PNG
(CHEMBL4454263)
Show SMILES Cn1ccc(CC(=O)Nc2nnc(s2)[C@H]2C[C@]3(C[C@@H](C3)c3nnc(NC(=O)Cc4ccn(C)n4)s3)C2)n1 |r,wU:16.17,18.21,wD:14.14,(22.28,-3.9,;23.81,-3.75,;24.59,-2.42,;26.09,-2.75,;26.25,-4.29,;27.58,-5.07,;28.91,-4.31,;28.93,-2.77,;30.24,-5.09,;31.58,-4.33,;32.06,-2.86,;33.6,-2.86,;34.08,-4.33,;32.83,-5.23,;35.41,-5.09,;35.8,-6.58,;37.29,-6.19,;37.69,-7.68,;39.17,-7.28,;38.78,-5.79,;40.51,-8.05,;41.75,-7.14,;43,-8.05,;42.52,-9.51,;43.84,-10.28,;45.18,-9.52,;45.19,-7.98,;46.51,-10.29,;47.85,-9.53,;48.01,-7.99,;49.52,-7.67,;50.28,-9.01,;51.82,-9.17,;49.25,-10.15,;40.98,-9.51,;36.89,-4.7,;24.83,-4.9,)|
Show InChI InChI=1S/C23H26N10O2S2/c1-32-5-3-15(30-32)7-17(34)24-21-28-26-19(36-21)13-9-23(10-13)11-14(12-23)20-27-29-22(37-20)25-18(35)8-16-4-6-33(2)31-16/h3-6,13-14H,7-12H2,1-2H3,(H,24,28,34)(H,25,29,35)/t13-,14-,23-/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of kidney-type glutaminase in human BT20 cells assessed as reduction in glutamate level

J Med Chem 62: 46-59 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00327
More data for this
Ligand-Target Pair