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BDBM50414248 CHEMBL549661

SMILES: CC(C)(O)c1ccc2Nc3cc(Nc4ccnc(Nc5ccnc(Cl)c5)c4)ccc3C(=O)Nc2c1

InChI Key: InChIKey=VMLJITCVAJIZCF-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50414248   
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))
BDBM50414248
PNG
(CHEMBL549661)
Show SMILES CC(C)(O)c1ccc2Nc3cc(Nc4ccnc(Nc5ccnc(Cl)c5)c4)ccc3C(=O)Nc2c1
Show InChI InChI=1S/C26H23ClN6O2/c1-26(2,35)15-3-6-20-22(11-15)33-25(34)19-5-4-16(12-21(19)32-20)30-18-8-10-29-24(14-18)31-17-7-9-28-23(27)13-17/h3-14,32,35H,1-2H3,(H,33,34)(H2,28,29,30,31)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


J Med Chem 52: 3159-65 (2009)


Article DOI: 10.1021/jm801444x
BindingDB Entry DOI: 10.7270/Q2FF3TM8
More data for this
Ligand-Target Pair