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Compile Data Set for Download or QSAR

Found 6 hits of ic50 for monomerid = 328996   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM328996
PNG
(1137477-07-6 | US11787792, Compound Y-081 | US9663...)
Show SMILES COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NCC1CNCCO1
Show InChI InChI=1S/C17H19N7O3/c1-26-17(25)13-9-23-15(24-16-10-20-11(5-18)6-22-16)4-14(13)21-8-12-7-19-2-3-27-12/h4,6,9-10,12,19H,2-3,7-8H2,1H3,(H2,21,22,23,24)
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US Patent
n/an/a 2n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
CHK1 kinase activity was measured in a microfluidic assay that monitors the separation of a phosphorylated product from its substrate. The assay was ...


US Patent US9663503 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W7G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM328996
PNG
(1137477-07-6 | US11787792, Compound Y-081 | US9663...)
Show SMILES COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NCC1CNCCO1
Show InChI InChI=1S/C17H19N7O3/c1-26-17(25)13-9-23-15(24-16-10-20-11(5-18)6-22-16)4-14(13)21-8-12-7-19-2-3-27-12/h4,6,9-10,12,19H,2-3,7-8H2,1H3,(H2,21,22,23,24)
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n/an/a 2n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM328996
PNG
(1137477-07-6 | US11787792, Compound Y-081 | US9663...)
Show SMILES COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NCC1CNCCO1
Show InChI InChI=1S/C17H19N7O3/c1-26-17(25)13-9-23-15(24-16-10-20-11(5-18)6-22-16)4-14(13)21-8-12-7-19-2-3-27-12/h4,6,9-10,12,19H,2-3,7-8H2,1H3,(H2,21,22,23,24)
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n/an/a 2.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01938
BindingDB Entry DOI: 10.7270/Q2MG7T5V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM328996
PNG
(1137477-07-6 | US11787792, Compound Y-081 | US9663...)
Show SMILES COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NCC1CNCCO1
Show InChI InChI=1S/C17H19N7O3/c1-26-17(25)13-9-23-15(24-16-10-20-11(5-18)6-22-16)4-14(13)21-8-12-7-19-2-3-27-12/h4,6,9-10,12,19H,2-3,7-8H2,1H3,(H2,21,22,23,24)
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n/an/a 310n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CHK1 in human HT-29 cells assessed as abrogation of etoposide-induced G2 checkpoint arrest by ELISA


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01938
BindingDB Entry DOI: 10.7270/Q2MG7T5V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM328996
PNG
(1137477-07-6 | US11787792, Compound Y-081 | US9663...)
Show SMILES COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NCC1CNCCO1
Show InChI InChI=1S/C17H19N7O3/c1-26-17(25)13-9-23-15(24-16-10-20-11(5-18)6-22-16)4-14(13)21-8-12-7-19-2-3-27-12/h4,6,9-10,12,19H,2-3,7-8H2,1H3,(H2,21,22,23,24)
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n/an/a 5.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CHK2 (unknown origin) using Biotin-KKKVSRSGLYRSPSMPENLNRPR peptide as substrate incubated for 30 mins in presence of ATP by dissociatio...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01938
BindingDB Entry DOI: 10.7270/Q2MG7T5V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM328996
PNG
(1137477-07-6 | US11787792, Compound Y-081 | US9663...)
Show SMILES COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NCC1CNCCO1
Show InChI InChI=1S/C17H19N7O3/c1-26-17(25)13-9-23-15(24-16-10-20-11(5-18)6-22-16)4-14(13)21-8-12-7-19-2-3-27-12/h4,6,9-10,12,19H,2-3,7-8H2,1H3,(H2,21,22,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK1 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01938
BindingDB Entry DOI: 10.7270/Q2MG7T5V
More data for this
Ligand-Target Pair