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SMILES: Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1OC(=O)N1CCC(CC1)N1CCCCC1)n3

InChI Key: InChIKey=RLSXFLSACOHPEL-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50224886   
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))		BDBM50224886
PNG
(CHEMBL401196 | [1,4']bipiperidinyl-1'-carboxylic a...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1OC(=O)N1CCC(CC1)N1CCCCC1)n3
Show InChI InChI=1S/C27H32ClN7O5/c28-19-14-20-23(15-22(19)40-27(37)35-10-6-18(7-11-35)34-8-2-1-3-9-34)38-12-4-5-13-39-25-21(16-29)30-17-24(32-25)33-26(36)31-20/h14-15,17-18H,1-13H2,(H2,31,32,33,36)
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Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1

Bioorg Med Chem Lett 17: 6593-601 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.063
BindingDB Entry DOI: 10.7270/Q2X067WT
More data for this
Ligand-Target Pair