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SMILES: CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3ccc(F)c(CO)c3F)c2c(=O)n(C)c1=O

InChI Key: InChIKey=HRUHNBHIUSQWBT-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 403041   
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))		BDBM403041
PNG
(US10329303, Example 7)
Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3ccc(F)c(CO)c3F)c2c(=O)n(C)c1=O |(-4.16,-6.29,;-4.16,-4.75,;-5.5,-3.98,;-2.83,-3.98,;-2.83,-2.44,;-1.49,-1.67,;-.03,-2.15,;.88,-.9,;2.42,-.9,;3.19,-2.24,;2.71,-3.7,;1.38,-4.47,;3.96,-4.61,;5.2,-3.7,;4.73,-2.24,;5.5,-.9,;-.03,.34,;.37,1.83,;-.72,2.92,;-.32,4.41,;1.17,4.81,;1.56,6.29,;2.25,3.72,;3.74,4.12,;4.83,3.03,;1.86,2.23,;2.95,1.14,;-1.49,-.13,;-2.83,.64,;-2.83,2.18,;-4.16,-.13,;-5.5,.64,;-4.16,-1.67,;-5.5,-2.44,)|
Show InChI InChI=1S/C24H26F2N4O3S/c1-11(2)9-30-23-20(22(32)29(5)24(30)33)19(14-6-7-17(25)16(10-31)21(14)26)18(34-23)8-15-12(3)27-28-13(15)4/h6-7,11,31H,8-10H2,1-5H3,(H,27,28)
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