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BDBM50414074 CHEMBL559425

SMILES: COc1cccc(c1)-c1ccc2c(Nc3ccc(CCC(=O)N(C)C)cc3NC2=O)c1

InChI Key: InChIKey=AXPBXHYJISQJSG-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50414074   
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))
BDBM50414074
PNG
(CHEMBL559425)
Show SMILES COc1cccc(c1)-c1ccc2c(Nc3ccc(CCC(=O)N(C)C)cc3NC2=O)c1
Show InChI InChI=1S/C25H25N3O3/c1-28(2)24(29)12-8-16-7-11-21-23(13-16)27-25(30)20-10-9-18(15-22(20)26-21)17-5-4-6-19(14-17)31-3/h4-7,9-11,13-15,26H,8,12H2,1-3H3,(H,27,30)
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.5n/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