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BDBM50414215 CHEMBL540756

SMILES: CC(C)(O)c1ccc2Nc3cc(Nc4ccncc4)ccc3C(=O)Nc2c1

InChI Key: InChIKey=WJRCSUVKRQODKT-UHFFFAOYSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50414215   
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))
BDBM50414215
PNG
(CHEMBL540756)
Show SMILES CC(C)(O)c1ccc2Nc3cc(Nc4ccncc4)ccc3C(=O)Nc2c1
Show InChI InChI=1S/C21H20N4O2/c1-21(2,27)13-3-6-17-19(11-13)25-20(26)16-5-4-15(12-18(16)24-17)23-14-7-9-22-10-8-14/h3-12,24,27H,1-2H3,(H,22,23)(H,25,26)
PDB
MMDB

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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