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2 similar compounds to monomer 91842

Compile data set for download or QSAR
Wt: 433.4
BDBM50414226
Wt: 447.4
BDBM50414087

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50414226,50414087   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50414226
PNG
(CHEMBL558077)
Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)CO)c1
Show InChI InChI=1S/C24H23N3O5/c1-24(2,13-28)16-6-8-18-20(12-16)26-23(29)17-7-4-14(10-19(17)25-18)15-5-9-21(27(30)31)22(11-15)32-3/h4-12,25,28H,13H2,1-3H3,(H,26,29)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
1.60n/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
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

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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