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BDBM91877 Chk1_157

SMILES: Fc1cc(F)cc(Cn2cc(-c3ccc4c(Nc5ccc(CCOc6ccc(cc6)N6CCOCC6)cc5NC4=O)c3)c3ccncc23)c1

InChI Key: InChIKey=JIVPBQZUQYHPRB-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 91877   
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))
BDBM91877
PNG
(Chk1_157)
Show SMILES Fc1cc(F)cc(Cn2cc(-c3ccc4c(Nc5ccc(CCOc6ccc(cc6)N6CCOCC6)cc5NC4=O)c3)c3ccncc23)c1
Show InChI InChI=1S/C39H33F2N5O3/c40-28-17-26(18-29(41)21-28)23-46-24-34(32-9-11-42-22-38(32)46)27-2-7-33-36(20-27)43-35-8-1-25(19-37(35)44-39(33)47)10-14-49-31-5-3-30(4-6-31)45-12-15-48-16-13-45/h1-9,11,17-22,24,43H,10,12-16,23H2,(H,44,47)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
13n/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