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SMILES: CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3cc(CO)c(F)cc3F)c2c(=O)n(C2CC2)c1=O

InChI Key: InChIKey=ZXVUDYHWDJMBQV-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 403182   
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))		BDBM403182
PNG
(US10329303, Example 19)
Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3cc(CO)c(F)cc3F)c2c(=O)n(C2CC2)c1=O |(-3.39,-6.29,;-3.39,-4.75,;-4.73,-3.98,;-2.06,-3.98,;-2.06,-2.44,;-.72,-1.67,;.74,-2.15,;1.65,-.9,;3.19,-.9,;3.96,-2.24,;3.48,-3.7,;2.15,-4.47,;4.73,-4.61,;5.97,-3.7,;5.5,-2.24,;6.27,-.9,;.74,.34,;1.14,1.83,;2.63,2.23,;3.02,3.72,;4.51,4.12,;5.6,3.03,;1.94,4.81,;2.33,6.29,;.45,4.41,;.05,2.92,;-1.44,3.32,;-.72,-.13,;-2.06,.64,;-2.06,2.18,;-3.39,-.13,;-4.73,.64,;-6.27,.64,;-5.5,1.97,;-3.39,-1.67,;-4.73,-2.44,)|
Show InChI InChI=1S/C26H28F2N4O3S/c1-12(2)10-31-25-23(24(34)32(26(31)35)16-5-6-16)22(18-7-15(11-33)19(27)9-20(18)28)21(36-25)8-17-13(3)29-30-14(17)4/h7,9,12,16,33H,5-6,8,10-11H2,1-4H3,(H,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 70n/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