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SMILES: CC(C)N1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)cc1

InChI Key: InChIKey=NJQBQCGBQGNZAS-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 462292   
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))		BDBM462292
PNG
(US10766902, Example 7)
Show SMILES CC(C)N1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C28H35N9O2S/c1-6-14-36-27(38)23-19-29-28(32-26(23)37(36)25-9-7-8-24(31-25)33-40(4,5)39)30-21-10-12-22(13-11-21)35-17-15-34(16-18-35)20(2)3/h6-13,19-20H,1,14-18H2,2-5H3,(H,29,30,32)
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.700n/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