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6 similar compounds to monomer 120888

Compile data set for download or QSAR
Wt: 440.8
BDBM120893
Wt: 454.4
BDBM120900
Wt: 470.8
BDBM120914
Wt: 406.4
BDBM120924
Wt: 406.4
BDBM120925
Wt: 406.4
BDBM120926

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 120893,120900,120914,120924,120925,120926   
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))
BDBM120893
PNG
(US8716287, 26)
Show SMILES Fc1ccc(CNCCOc2ccc(NC(=O)Nc3cnc(cn3)C#N)cc2Cl)cc1
Show InChI InChI=1S/C21H18ClFN6O2/c22-18-9-16(28-21(30)29-20-13-26-17(10-24)12-27-20)5-6-19(18)31-8-7-25-11-14-1-3-15(23)4-2-14/h1-6,9,12-13,25H,7-8,11H2,(H2,27,28,29,30)
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US Patent
n/an/a 21n/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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM120900
PNG
(US8716287, 33)
Show SMILES COc1cc(OCCNCc2ccc(F)cc2F)ccc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C22H20F2N6O3/c1-32-20-9-17(33-7-6-26-11-14-2-3-15(23)8-18(14)24)4-5-19(20)29-22(31)30-21-13-27-16(10-25)12-28-21/h2-5,8-9,12-13,26H,6-7,11H2,1H3,(H2,28,29,30,31)
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US Patent
n/an/a 3n/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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM120926
PNG
(US8716287, 59)
Show SMILES COc1cc(CNCc2ccccc2F)ccc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C21H19FN6O2/c1-30-19-8-14(10-24-11-15-4-2-3-5-17(15)22)6-7-18(19)27-21(29)28-20-13-25-16(9-23)12-26-20/h2-8,12-13,24H,10-11H2,1H3,(H2,26,27,28,29)
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US Patent
n/an/a 13n/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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM120924
PNG
(US8716287, 57)
Show SMILES COc1cc(CNCc2ccc(F)cc2)ccc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C21H19FN6O2/c1-30-19-8-15(11-24-10-14-2-5-16(22)6-3-14)4-7-18(19)27-21(29)28-20-13-25-17(9-23)12-26-20/h2-8,12-13,24H,10-11H2,1H3,(H2,26,27,28,29)
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US Patent
n/an/a 8.90n/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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM120925
PNG
(US8716287, 58)
Show SMILES COc1cc(CNCc2cccc(F)c2)ccc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C21H19FN6O2/c1-30-19-8-15(11-24-10-14-3-2-4-16(22)7-14)5-6-18(19)27-21(29)28-20-13-25-17(9-23)12-26-20/h2-8,12-13,24H,10-11H2,1H3,(H2,26,27,28,29)
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US Patent
n/an/a 21n/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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM120914
PNG
(US8716287, 47)
Show SMILES COc1cc(OCCNCc2ccc(F)cc2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C22H20ClFN6O3/c1-32-20-9-19(33-7-6-26-11-14-2-4-15(24)5-3-14)17(23)8-18(20)29-22(31)30-21-13-27-16(10-25)12-28-21/h2-5,8-9,12-13,26H,6-7,11H2,1H3,(H2,28,29,30,31)
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US Patent
n/an/a 8.40n/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