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BDBM50224602 (Z)-7-(5-[1,3]oxazinan-3-yl-pentyloxy)-3-oxo-11,16-dioxa-2,4,19,21-tetraaza-tricyclo[15.3.1.0*5,10*]henicosa-1(20),5,7,9,13,17(21),18-heptaene-18-carbonitrile::CHEMBL235381

SMILES: O=C1Nc2cnc(C#N)c(OC\C=C/COc3ccc(OCCCCCN4CCCOC4)cc3N1)n2

InChI Key: InChIKey=NCEPXORBHCMVOO-PLNGDYQASA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50224602   
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 Chk1/2


(Homo sapiens (Human))
BDBM50224602
PNG
((Z)-7-(5-[1,3]oxazinan-3-yl-pentyloxy)-3-oxo-11,16...)
Show SMILES O=C1Nc2cnc(C#N)c(OC\C=C/COc3ccc(OCCCCCN4CCCOC4)cc3N1)n2
Show InChI InChI=1S/C25H30N6O5/c26-16-21-24-29-23(17-27-21)30-25(32)28-20-15-19(7-8-22(20)35-13-4-5-14-36-24)34-12-3-1-2-9-31-10-6-11-33-18-31/h4-5,7-8,15,17H,1-3,6,9-14,18H2,(H2,28,29,30,32)/b5-4-
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Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1 enzyme by radiometric assay


Bioorg Med Chem Lett 17: 6499-504 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.088
BindingDB Entry DOI: 10.7270/Q2RB74BP
More data for this
Ligand-Target Pair