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Patent code US9758508

Compile Data Set for Download or QSAR
Found 11 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 BTK


(Homo sapiens (Human))
BDBM340036
PNG
(1-(3-chloro-2,6-difluorophenyl)-3-(3-fluoro- 4-(7-...)
Show SMILES Cc1cnc([nH]1)-c1ccc(c2CNC(=O)c12)-c1ccc(NC(=O)Nc2c(F)ccc(Cl)c2F)cc1F
PDB
MMDB

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UniChem
US Patent
n/an/a 0.0500n/an/an/an/an/an/a



CrystalGenomics, Inc.

US Patent


Assay Description
In order to evaluate the activity of the compounds of the present invention as a BTK inhibitor, commercially available BTK (Promega) was used for thi...


US Patent US9758508 (2017)

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


(Homo sapiens (Human))
BDBM340037
PNG
(1-(2-chloro-3,6-difluorophenyl)-3-(3-fluoro- 4-(7-...)
Show SMILES Cc1cnc([nH]1)-c1ccc(c2CNC(=O)c12)-c1ccc(NC(=O)Nc2c(F)ccc(F)c2Cl)cc1F
PDB
MMDB

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UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 0.0700n/an/an/an/an/an/a



CrystalGenomics, Inc.

US Patent


Assay Description
In order to evaluate the activity of the compounds of the present invention as a BTK inhibitor, commercially available BTK (Promega) was used for thi...


US Patent US9758508 (2017)

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


(Homo sapiens (Human))
BDBM340031
PNG
(1-{3-fluoro-4-[7-(5-methyl-1H-imidazol-2- yl)-1-ox...)
Show SMILES Cc1cnc([nH]1)-c1ccc(c2CNC(=O)c12)-c1ccc(NC(=O)Nc2c(F)cc(F)cc2F)cc1F
PDB
MMDB

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UniProtKB/SwissProt

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US Patent
n/an/a 0.100n/an/an/an/an/an/a



CrystalGenomics, Inc.

US Patent


Assay Description
In order to evaluate the activity of the compounds of the present invention as a BTK inhibitor, commercially available BTK (Promega) was used for thi...


US Patent US9758508 (2017)

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


(Homo sapiens (Human))
BDBM340033
PNG
(1-{3-fluoro-4-[7-(5-methyl-1H-imidazol-2- yl)-1-ox...)
Show SMILES Cc1cnc([nH]1)-c1ccc(c2CNC(=O)c12)-c1ccc(NC(=O)Nc2c(F)ccc(F)c2F)cc1F
PDB
MMDB

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US Patent
n/an/a 0.280n/an/an/an/an/an/a



CrystalGenomics, Inc.

US Patent


Assay Description
In order to evaluate the activity of the compounds of the present invention as a BTK inhibitor, commercially available BTK (Promega) was used for thi...


US Patent US9758508 (2017)

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


(Homo sapiens (Human))
BDBM340032
PNG
(1-{3-fluoro-4-[7-(5-methyl-1H-imidazol-2- yl)-1-ox...)
Show SMILES Cc1cnc([nH]1)-c1ccc(c2CNC(=O)c12)-c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1F
PDB
MMDB

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US Patent
n/an/a 0.400n/an/an/an/an/an/a



CrystalGenomics, Inc.

US Patent


Assay Description
In order to evaluate the activity of the compounds of the present invention as a BTK inhibitor, commercially available BTK (Promega) was used for thi...


US Patent US9758508 (2017)

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


(Homo sapiens (Human))
BDBM340039
PNG
(1-{3-fluoro-4-[7-(5-methyl-1H-imidazol-2- yl)-1-ox...)
Show SMILES Cc1cnc([nH]1)-c1ccc(c2CNC(=O)c12)-c1ccc(NC(=O)Nc2c(F)c(F)cc(F)c2F)cc1F
PDB
MMDB

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UniProtKB/SwissProt

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US Patent
n/an/a 0.900n/an/an/an/an/an/a



CrystalGenomics, Inc.

US Patent


Assay Description
In order to evaluate the activity of the compounds of the present invention as a BTK inhibitor, commercially available BTK (Promega) was used for thi...


US Patent US9758508 (2017)

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


(Homo sapiens (Human))
BDBM340030
PNG
(1-(2-chloro-6-fluoro-phenyl)-3-{3-fluoro-4- [7-(5-...)
Show SMILES Cc1cnc([nH]1)-c1ccc(c2CNC(=O)c12)-c1ccc(NC(=O)Nc2c(F)cccc2Cl)cc1F
PDB
MMDB

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UniProtKB/SwissProt

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US Patent
n/an/a 0.900n/an/an/an/an/an/a



CrystalGenomics, Inc.

US Patent


Assay Description
In order to evaluate the activity of the compounds of the present invention as a BTK inhibitor, commercially available BTK (Promega) was used for thi...


US Patent US9758508 (2017)

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


(Homo sapiens (Human))
BDBM340029
PNG
(1-(2,6-difluoro-phenyl)-3-{3-fluoro-4-[7-(5- methy...)
Show SMILES Cc1cnc([nH]1)-c1ccc(c2CNC(=O)c12)-c1ccc(NC(=O)Nc2c(F)cccc2F)cc1F
PDB
MMDB

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US Patent
n/an/a 1n/an/an/an/an/an/a



CrystalGenomics, Inc.

US Patent


Assay Description
In order to evaluate the activity of the compounds of the present invention as a BTK inhibitor, commercially available BTK (Promega) was used for thi...


US Patent US9758508 (2017)

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


(Homo sapiens (Human))
BDBM340038
PNG
(1-(4-chloro-2,6-difluoro-phenyl)-3-{3- fluoro-4-[7...)
Show SMILES Cc1cnc([nH]1)-c1ccc(c2CNC(=O)c12)-c1ccc(NC(=O)Nc2c(F)cc(Cl)cc2F)cc1F
PDB
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US Patent
n/an/a 4n/an/an/an/an/an/a



CrystalGenomics, Inc.

US Patent


Assay Description
In order to evaluate the activity of the compounds of the present invention as a BTK inhibitor, commercially available BTK (Promega) was used for thi...


US Patent US9758508 (2017)

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


(Homo sapiens (Human))
BDBM340035
PNG
(1-(4-cyano-3-fluorophenyl)-3-(3-fluoro-4- (7-(5-me...)
Show SMILES Cc1cnc([nH]1)-c1ccc(c2CNC(=O)c12)-c1ccc(NC(=O)Nc2ccc(C#N)c(F)c2)cc1F
PDB
MMDB

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US Patent
n/an/a 5n/an/an/an/an/an/a



CrystalGenomics, Inc.

US Patent


Assay Description
In order to evaluate the activity of the compounds of the present invention as a BTK inhibitor, commercially available BTK (Promega) was used for thi...


US Patent US9758508 (2017)

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


(Homo sapiens (Human))
BDBM340034
PNG
(1-(3,4-difluoro-phenyl)-3-{3-fluoro-4-[7-(5- methy...)
Show SMILES Cc1cnc([nH]1)-c1ccc(c2CNC(=O)c12)-c1ccc(NC(=O)Nc2ccc(F)c(F)c2)cc1F
PDB
MMDB

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US Patent
n/an/a 5.60n/an/an/an/an/an/a



CrystalGenomics, Inc.

US Patent


Assay Description
In order to evaluate the activity of the compounds of the present invention as a BTK inhibitor, commercially available BTK (Promega) was used for thi...


US Patent US9758508 (2017)

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