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SMILES: CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3ccnc(CO)c3)c2c(=O)n(C2CC2)c1=O

InChI Key: InChIKey=AVTSVTSMJXPVLA-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 403224   
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))		BDBM403224
PNG
(US10329303, Example 23)
Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3ccnc(CO)c3)c2c(=O)n(C2CC2)c1=O
Show InChI InChI=1S/C25H29N5O3S/c1-13(2)11-29-24-22(23(32)30(25(29)33)18-5-6-18)21(16-7-8-26-17(9-16)12-31)20(34-24)10-19-14(3)27-28-15(19)4/h7-9,13,18,31H,5-6,10-12H2,1-4H3,(H,27,28)
PDB

UniProtKB/SwissProt

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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