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SMILES: Brc1cccc(c1)-c1cnc(Nc2cc(ccn2)N2CCNCC2)s1

InChI Key: InChIKey=BDWSVRWSIMMMPZ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50379751   
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))		BDBM50379751
PNG
(CHEMBL2011334)
Show SMILES Brc1cccc(c1)-c1cnc(Nc2cc(ccn2)N2CCNCC2)s1
Show InChI InChI=1S/C18H18BrN5S/c19-14-3-1-2-13(10-14)16-12-22-18(25-16)23-17-11-15(4-5-21-17)24-8-6-20-7-9-24/h1-5,10-12,20H,6-9H2,(H,21,22,23)
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Article
PubMed
n/an/a>1.05E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Competitive inhibition of Chk1 in presence of higher ATP levels

Bioorg Med Chem Lett 22: 2609-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.110
BindingDB Entry DOI: 10.7270/Q22F7PFG
More data for this
Ligand-Target Pair