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SMILES: CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3cccc(CO)c3F)c2c(=O)n(C)c1=O

InChI Key: InChIKey=VGXVSHJDGJTLJG-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 402876   
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
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM402876
PNG
(US10329303, Example 1)
Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3cccc(CO)c3F)c2c(=O)n(C)c1=O |(-4.16,-5.55,;-4.16,-4.01,;-5.5,-3.24,;-2.83,-3.24,;-2.83,-1.7,;-1.49,-.93,;-.03,-1.41,;.88,-.16,;2.42,-.16,;3.19,-1.49,;2.71,-2.96,;1.38,-3.73,;3.96,-3.86,;5.2,-2.96,;4.73,-1.49,;5.5,-.16,;-.03,1.09,;.37,2.57,;-.72,3.66,;-.32,5.15,;1.17,5.55,;2.25,4.46,;3.74,4.86,;4.83,3.77,;1.86,2.97,;2.95,1.88,;-1.49,.61,;-2.83,1.38,;-2.83,2.92,;-4.16,.61,;-5.5,1.38,;-4.16,-.93,;-5.5,-1.7,)|
Show InChI InChI=1S/C24H27FN4O3S/c1-12(2)10-29-23-20(22(31)28(5)24(29)32)19(16-8-6-7-15(11-30)21(16)25)18(33-23)9-17-13(3)26-27-14(17)4/h6-8,12,30H,9-11H2,1-5H3,(H,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<20n/an/an/an/a



Virginia Commonwealth University



Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

Bioorg Med Chem 17: 6496-504 (2009)


BindingDB Entry DOI: 10.7270/Q2B27XM9
More data for this
Ligand-Target Pair