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SMILES: CN(C)C(=O)c1ccc(cc1)-c1cc2c(N[C@H]3CCCNC3)ncc(C(N)=O)c2s1

InChI Key: InChIKey=MQWBJIJVZIBFME-HNNXBMFYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50332163   
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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))		BDBM50332163
PNG
((S)-2-(4-(dimethylcarbamoyl)phenyl)-4-(piperidin-3...)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1cc2c(N[C@H]3CCCNC3)ncc(C(N)=O)c2s1 |r|
Show InChI InChI=1S/C22H25N5O2S/c1-27(2)22(29)14-7-5-13(6-8-14)18-10-16-19(30-18)17(20(23)28)12-25-21(16)26-15-4-3-9-24-11-15/h5-8,10,12,15,24H,3-4,9,11H2,1-2H3,(H2,23,28)(H,25,26)/t15-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting

Bioorg Med Chem Lett 20: 7216-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6
More data for this
Ligand-Target Pair