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BDBM14828 (+/-)1-[5-Chloro-2-(1-methyl-piperidin-4-yloxy)-phenyl]-3-(5-cyano-pyrazin-2-yl)-urea::3-{5-chloro-2-[(1-methylpiperidin-4-yl)oxy]phenyl}-1-(5-cyanopyrazin-2-yl)urea::urea-based inhibitor 2c

SMILES: CN1CCC(CC1)Oc1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N

InChI Key: InChIKey=WTQRLVNDANHFDI-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 14828   
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))
BDBM14828
PNG
((+/-)1-[5-Chloro-2-(1-methyl-piperidin-4-yloxy)-ph...)
Show SMILES CN1CCC(CC1)Oc1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C18H19ClN6O2/c1-25-6-4-14(5-7-25)27-16-3-2-12(19)8-15(16)23-18(26)24-17-11-21-13(9-20)10-22-17/h2-3,8,10-11,14H,4-7H2,1H3,(H2,22,23,24,26)
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MMDB

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Similars

Article
PubMed
n/an/a 10n/an/an/an/a7.422



Abbott Laboratories



Assay Description
Chk1 kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 5uM ATP/[gamma-33P] ATP. 33P incor...


J Med Chem 48: 3118-21 (2005)


Article DOI: 10.1021/jm048989d
BindingDB Entry DOI: 10.7270/Q2HM56PT
More data for this
Ligand-Target Pair