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SMILES: CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3cccc(c3)N3CCOCC3)nc12

InChI Key: InChIKey=TZYLCSXYHVDGAL-UHFFFAOYSA-N

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 462322   
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
Wee1-like protein kinase


(Homo sapiens (Human))		BDBM462322
PNG
(US10766902, Example 35)
Show SMILES CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3cccc(c3)N3CCOCC3)nc12
Show InChI InChI=1S/C25H28N8O3S/c1-4-11-32-24(34)20-17-26-25(27-18-7-5-8-19(16-18)31-12-14-36-15-13-31)29-23(20)33(32)22-10-6-9-21(28-22)30-37(2,3)35/h4-10,16-17H,1,11-15H2,2-3H3,(H,26,27,29)
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MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.600n/an/an/an/an/an/a



ALMAC DISCOVERY LIMITED

US Patent


Assay Description
All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...

US Patent US10766902 (2020)

More data for this
Ligand-Target Pair