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BDBM120927 US8716287, 60

SMILES: COc1ccc(CNCc2ccc(NC(=O)Nc3cnc(cn3)C#N)c(OC)c2)cc1

InChI Key: InChIKey=MXWXVGPNQLURPT-UHFFFAOYSA-N

Data: 1 IC50

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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 = 120927   
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))
BDBM120927
PNG
(US8716287, 60)
Show SMILES COc1ccc(CNCc2ccc(NC(=O)Nc3cnc(cn3)C#N)c(OC)c2)cc1
Show InChI InChI=1S/C22H22N6O3/c1-30-18-6-3-15(4-7-18)11-24-12-16-5-8-19(20(9-16)31-2)27-22(29)28-21-14-25-17(10-23)13-26-21/h3-9,13-14,24H,11-12H2,1-2H3,(H2,26,27,28,29)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.60n/an/an/an/a7.5n/a



Sentinel Oncology Limited

US Patent


Assay Description
The compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set out below. Reaction Buffer: Base R...


US Patent US8716287 (2014)


BindingDB Entry DOI: 10.7270/Q2TD9W0C
More data for this
Ligand-Target Pair