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SMILES: COc1cc(CCNC(=O)CN2CCOCC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N

InChI Key: InChIKey=NHOLKCAPGBWLHF-UHFFFAOYSA-N

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

Found 1 hit for monomerid = 323154   
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))		BDBM323154
PNG
(US9630931, Example 16)
Show SMILES COc1cc(CCNC(=O)CN2CCOCC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C21H24ClN7O4/c1-32-18-8-14(2-3-24-20(30)13-29-4-6-33-7-5-29)16(22)9-17(18)27-21(31)28-19-12-25-15(10-23)11-26-19/h8-9,11-12H,2-7,13H2,1H3,(H,24,30)(H2,26,27,28,31)
PDB
MMDB

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US Patent
n/an/a 76n/an/an/an/an/an/a



SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...

US Patent US9630931 (2017)


BindingDB Entry DOI: 10.7270/Q29C70J1
More data for this
Ligand-Target Pair