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BDBM50414087 CHEMBL564952

SMILES: COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(O)=O)c1

InChI Key: InChIKey=ALQNGQOVYQZQPF-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50414087   
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))
BDBM50414087
PNG
(CHEMBL564952)
Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(O)=O)c1
Show InChI InChI=1S/C24H21N3O6/c1-24(2,23(29)30)15-6-8-17-19(12-15)26-22(28)16-7-4-13(10-18(16)25-17)14-5-9-20(27(31)32)21(11-14)33-3/h4-12,25H,1-3H3,(H,26,28)(H,29,30)
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