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BDBM50379759 CHEMBL2011342

SMILES: N#Cc1cncc(c1)-c1cnc(Nc2cc(ccn2)N2CCOCC2)s1

InChI Key: InChIKey=GGNJVOIJSOFBDO-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50379759   
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))
BDBM50379759
PNG
(CHEMBL2011342)
Show SMILES N#Cc1cncc(c1)-c1cnc(Nc2cc(ccn2)N2CCOCC2)s1
Show InChI InChI=1S/C18H16N6OS/c19-9-13-7-14(11-20-10-13)16-12-22-18(26-16)23-17-8-15(1-2-21-17)24-3-5-25-6-4-24/h1-2,7-8,10-12H,3-6H2,(H,21,22,23)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 440n/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
3D
3D Structure (docked)