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SMILES: CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3cccc(CO)c3F)c2c(=O)n(C2CC2)c1=O

InChI Key: InChIKey=OPYWASXPNJSDRH-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 403184   
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))		BDBM403184
PNG
(US10329303, Example 20)
Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3cccc(CO)c3F)c2c(=O)n(C2CC2)c1=O |(-3.39,-5.55,;-3.39,-4.01,;-4.73,-3.24,;-2.06,-3.24,;-2.06,-1.7,;-.72,-.93,;.74,-1.41,;1.65,-.16,;3.19,-.16,;3.96,-1.49,;3.48,-2.96,;2.15,-3.73,;4.73,-3.86,;5.97,-2.96,;5.5,-1.49,;6.27,-.16,;.74,1.09,;1.14,2.57,;.05,3.66,;.45,5.15,;1.94,5.55,;3.02,4.46,;4.51,4.86,;5.6,3.77,;2.63,2.97,;3.72,1.88,;-.72,.61,;-2.06,1.38,;-2.06,2.92,;-3.39,.61,;-4.73,1.38,;-6.27,1.38,;-5.5,2.71,;-3.39,-.93,;-4.73,-1.7,)|
Show InChI InChI=1S/C26H29FN4O3S/c1-13(2)11-30-25-22(24(33)31(26(30)34)17-8-9-17)21(18-7-5-6-16(12-32)23(18)27)20(35-25)10-19-14(3)28-29-15(19)4/h5-7,13,17,32H,8-12H2,1-4H3,(H,28,29)
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