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BDBM50414220 CHEMBL549527

SMILES: COc1cccc(c1)-c1ccc2c(Nc3cc(OCc4csc(C)n4)c(OC)cc3NC2=O)c1

InChI Key: InChIKey=KATWHMSBXRCFQA-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50414220   
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))
BDBM50414220
PNG
(CHEMBL549527)
Show SMILES COc1cccc(c1)-c1ccc2c(Nc3cc(OCc4csc(C)n4)c(OC)cc3NC2=O)c1
Show InChI InChI=1S/C26H23N3O4S/c1-15-27-18(14-34-15)13-33-25-12-22-23(11-24(25)32-3)29-26(30)20-8-7-17(10-21(20)28-22)16-5-4-6-19(9-16)31-2/h4-12,14,28H,13H2,1-3H3,(H,29,30)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
4n/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