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Patent code US10287268

Compile Data Set for Download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
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
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM385383
PNG
(6-(2-((2,6-Dimethylphenyl)amino)-1H-imidazol-1-yl)...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)-n2ccnc2Nc2c(C)cccc2C)cc1
Show InChI InChI=1S/C27H32N8/c1-4-33-14-16-34(17-15-33)23-10-8-22(9-11-23)31-24-18-25(30-19-29-24)35-13-12-28-27(35)32-26-20(2)6-5-7-21(26)3/h5-13,18-19H,4,14-17H2,1-3H3,(H,28,32)(H,29,30,31)
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n/an/a 111n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
In some experiments, inhibitory activities of the compounds described herein against select protein kinases were determined as IC50 values (e.g., IC5...


US Patent US10287268 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM385384
PNG
(US10287268, Compound I-2)
Show SMILES COCCOc1ccc(Nc2cc(ncn2)-n2ccnc2Nc2c(C)cccc2Cl)cc1
Show InChI InChI=1S/C23H23ClN6O2/c1-16-4-3-5-19(24)22(16)29-23-25-10-11-30(23)21-14-20(26-15-27-21)28-17-6-8-18(9-7-17)32-13-12-31-2/h3-11,14-15H,12-13H2,1-2H3,(H,25,29)(H,26,27,28)
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n/an/a 307n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
In some experiments, inhibitory activities of the compounds described herein against select protein kinases were determined as IC50 values (e.g., IC5...


US Patent US10287268 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM385383
PNG
(6-(2-((2,6-Dimethylphenyl)amino)-1H-imidazol-1-yl)...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)-n2ccnc2Nc2c(C)cccc2C)cc1
Show InChI InChI=1S/C27H32N8/c1-4-33-14-16-34(17-15-33)23-10-8-22(9-11-23)31-24-18-25(30-19-29-24)35-13-12-28-27(35)32-26-20(2)6-5-7-21(26)3/h5-13,18-19H,4,14-17H2,1-3H3,(H,28,32)(H,29,30,31)
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n/an/a 338n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
In some experiments, inhibitory activities of the compounds described herein against select protein kinases were determined as IC50 values (e.g., IC5...


US Patent US10287268 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM385384
PNG
(US10287268, Compound I-2)
Show SMILES COCCOc1ccc(Nc2cc(ncn2)-n2ccnc2Nc2c(C)cccc2Cl)cc1
Show InChI InChI=1S/C23H23ClN6O2/c1-16-4-3-5-19(24)22(16)29-23-25-10-11-30(23)21-14-20(26-15-27-21)28-17-6-8-18(9-7-17)32-13-12-31-2/h3-11,14-15H,12-13H2,1-2H3,(H,25,29)(H,26,27,28)
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n/an/a 1.86E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
In some experiments, inhibitory activities of the compounds described herein against select protein kinases were determined as IC50 values (e.g., IC5...


US Patent US10287268 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM385385
PNG
(US10287268, Compound I-3)
Show SMILES COCCOc1ccc(Nc2cc(ncn2)-n2ccnc2Nc2c(C)cccc2C)cc1
Show InChI InChI=1S/C24H26N6O2/c1-17-5-4-6-18(2)23(17)29-24-25-11-12-30(24)22-15-21(26-16-27-22)28-19-7-9-20(10-8-19)32-14-13-31-3/h4-12,15-16H,13-14H2,1-3H3,(H,25,29)(H,26,27,28)
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n/an/a 2.42E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
In some experiments, inhibitory activities of the compounds described herein against select protein kinases were determined as IC50 values (e.g., IC5...


US Patent US10287268 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM385386
PNG
(US10287268, Compound I-4)
Show SMILES Cc1cccc(Cl)c1Nc1nccn1-c1cc(Nc2cnn(C)c2)ncn1
Show InChI InChI=1S/C18H17ClN8/c1-12-4-3-5-14(19)17(12)25-18-20-6-7-27(18)16-8-15(21-11-22-16)24-13-9-23-26(2)10-13/h3-11H,1-2H3,(H,20,25)(H,21,22,24)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
In some experiments, inhibitory activities of the compounds described herein against select protein kinases were determined as IC50 values (e.g., IC5...


US Patent US10287268 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM385385
PNG
(US10287268, Compound I-3)
Show SMILES COCCOc1ccc(Nc2cc(ncn2)-n2ccnc2Nc2c(C)cccc2C)cc1
Show InChI InChI=1S/C24H26N6O2/c1-17-5-4-6-18(2)23(17)29-24-25-11-12-30(24)22-15-21(26-16-27-22)28-19-7-9-20(10-8-19)32-14-13-31-3/h4-12,15-16H,13-14H2,1-3H3,(H,25,29)(H,26,27,28)
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n/an/a 9.98E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
In some experiments, inhibitory activities of the compounds described herein against select protein kinases were determined as IC50 values (e.g., IC5...


US Patent US10287268 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM385386
PNG
(US10287268, Compound I-4)
Show SMILES Cc1cccc(Cl)c1Nc1nccn1-c1cc(Nc2cnn(C)c2)ncn1
Show InChI InChI=1S/C18H17ClN8/c1-12-4-3-5-14(19)17(12)25-18-20-6-7-27(18)16-8-15(21-11-22-16)24-13-9-23-26(2)10-13/h3-11H,1-2H3,(H,20,25)(H,21,22,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
In some experiments, inhibitory activities of the compounds described herein against select protein kinases were determined as IC50 values (e.g., IC5...


US Patent US10287268 (2019)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%