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Patent code US10836742

Compile Data Set for Download or QSAR
Found 15 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM472845
PNG
(US10836742, Compound 13)
Show SMILES C[C@@H](N1C(=O)CCc2ccc(cc12)-c1cc(C)c(=O)n(C)c1)c1ccccc1
Show InChI InChI=1S/C24H24N2O2/c1-16-13-21(15-25(3)24(16)28)20-10-9-19-11-12-23(27)26(22(19)14-20)17(2)18-7-5-4-6-8-18/h4-10,13-15,17H,11-12H2,1-3H3/t17-/m1/s1
PDB

GoogleScholar
UniChem
n/an/a 320n/an/an/an/an/an/a


TBA

Assay Description
To measure activity of bromodomain inhibitors, a His-epitope tagged BRD4 BD149-170 is purchased from BPS Bioscience. BRD4 binding and inhibition is a...


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM472839
PNG
(US10836742, Compound 10)
Show SMILES Cc1cc(cn(C)c1=O)-c1ccc2CCC(=O)N(Cc3ccccn3)c2c1
Show InChI InChI=1S/C22H21N3O2/c1-15-11-18(13-24(2)22(15)27)17-7-6-16-8-9-21(26)25(20(16)12-17)14-19-5-3-4-10-23-19/h3-7,10-13H,8-9,14H2,1-2H3
PDB

GoogleScholar
UniChem
n/an/a 420n/an/an/an/an/an/a


TBA

Assay Description
To measure activity of bromodomain inhibitors, a His-epitope tagged BRD4 BD149-170 is purchased from BPS Bioscience. BRD4 binding and inhibition is a...


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM472849
PNG
(US10836742, Compound 17)
Show SMILES Cc1cc(cn(C)c1=O)-c1ccc2OCC(=O)N(Cc3ccccc3)c2c1
Show InChI InChI=1S/C22H20N2O3/c1-15-10-18(13-23(2)22(15)26)17-8-9-20-19(11-17)24(21(25)14-27-20)12-16-6-4-3-5-7-16/h3-11,13H,12,14H2,1-2H3
PDB

GoogleScholar
UniChem
n/an/a 460n/an/an/an/an/an/a


TBA

Assay Description
To measure activity of bromodomain inhibitors, a His-epitope tagged BRD4 BD149-170 is purchased from BPS Bioscience. BRD4 binding and inhibition is a...


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM472851
PNG
(US10836742, Compound 18)
Show SMILES Cc1cc(cn(C)c1=O)-c1ccc2OCC(=O)N(Cc3ccccn3)c2c1
Show InChI InChI=1S/C21H19N3O3/c1-14-9-16(11-23(2)21(14)26)15-6-7-19-18(10-15)24(20(25)13-27-19)12-17-5-3-4-8-22-17/h3-11H,12-13H2,1-2H3
PDB

GoogleScholar
UniChem
n/an/a 580n/an/an/an/an/an/a


TBA

Assay Description
To measure activity of bromodomain inhibitors, a His-epitope tagged BRD4 BD149-170 is purchased from BPS Bioscience. BRD4 binding and inhibition is a...


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM472838
PNG
(US10836742, Compound 9)
Show SMILES Cc1cc(cn(C)c1=O)-c1ccc2CCC(=O)N(Cc3ccc(F)cc3)c2c1
Show InChI InChI=1S/C23H21FN2O2/c1-15-11-19(14-25(2)23(15)28)18-6-5-17-7-10-22(27)26(21(17)12-18)13-16-3-8-20(24)9-4-16/h3-6,8-9,11-12,14H,7,10,13H2,1-2H3
PDB

GoogleScholar
UniChem
n/an/a 700n/an/an/an/an/an/a


TBA

Assay Description
To measure activity of bromodomain inhibitors, a His-epitope tagged BRD4 BD149-170 is purchased from BPS Bioscience. BRD4 binding and inhibition is a...


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM472703
PNG
(US10836742, Compound 7)
Show SMILES Cc1cc(cn(C)c1=O)-c1ccc2CCC(=O)N(Cc3ccccc3)c2c1
Show InChI InChI=1S/C23H22N2O2/c1-16-12-20(15-24(2)23(16)27)19-9-8-18-10-11-22(26)25(21(18)13-19)14-17-6-4-3-5-7-17/h3-9,12-13,15H,10-11,14H2,1-2H3
PDB

GoogleScholar
UniChem
n/an/a 740n/an/an/an/an/an/a


TBA

Assay Description
To measure activity of bromodomain inhibitors, a His-epitope tagged BRD4 BD149-170 is purchased from BPS Bioscience. BRD4 binding and inhibition is a...


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM472852
PNG
(US10836742, Compound 19)
Show SMILES Cc1cc(cn(C)c1=O)-c1ccc2OCC(=O)N(CC3CC(F)(F)C3)c2c1
Show InChI InChI=1S/C20H20F2N2O3/c1-12-5-15(10-23(2)19(12)26)14-3-4-17-16(6-14)24(18(25)11-27-17)9-13-7-20(21,22)8-13/h3-6,10,13H,7-9,11H2,1-2H3
PDB

GoogleScholar
UniChem
n/an/a 810n/an/an/an/an/an/a


TBA

Assay Description
To measure activity of bromodomain inhibitors, a His-epitope tagged BRD4 BD149-170 is purchased from BPS Bioscience. BRD4 binding and inhibition is a...


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM472843
PNG
(US10836742, Compound 11)
Show SMILES Cc1cc(cn(C)c1=O)-c1ccc2CCC(=O)N(CC3CC(F)(F)C3)c2c1
Show InChI InChI=1S/C21H22F2N2O2/c1-13-7-17(12-24(2)20(13)27)16-4-3-15-5-6-19(26)25(18(15)8-16)11-14-9-21(22,23)10-14/h3-4,7-8,12,14H,5-6,9-11H2,1-2H3
PDB

GoogleScholar
UniChem
n/an/a 860n/an/an/an/an/an/a


TBA

Assay Description
To measure activity of bromodomain inhibitors, a His-epitope tagged BRD4 BD149-170 is purchased from BPS Bioscience. BRD4 binding and inhibition is a...


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM472853
PNG
(US10836742, Compound 20)
Show SMILES Cc1cc(cn(C)c1=O)-c1ccc2OCC(=O)N(CCOC(F)(F)F)c2c1
Show InChI InChI=1S/C18H17F3N2O4/c1-11-7-13(9-22(2)17(11)25)12-3-4-15-14(8-12)23(16(24)10-26-15)5-6-27-18(19,20)21/h3-4,7-9H,5-6,10H2,1-2H3
PDB

GoogleScholar
UniChem
n/an/a 880n/an/an/an/an/an/a


TBA

Assay Description
To measure activity of bromodomain inhibitors, a His-epitope tagged BRD4 BD149-170 is purchased from BPS Bioscience. BRD4 binding and inhibition is a...


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM472844
PNG
(US10836742, Compound 12)
Show SMILES C[C@H](N1C(=O)CCc2ccc(cc12)-c1cc(C)c(=O)n(C)c1)c1ccccc1
Show InChI InChI=1S/C24H24N2O2/c1-16-13-21(15-25(3)24(16)28)20-10-9-19-11-12-23(27)26(22(19)14-20)17(2)18-7-5-4-6-8-18/h4-10,13-15,17H,11-12H2,1-3H3/t17-/m0/s1
PDB

GoogleScholar
UniChem
n/an/a 910n/an/an/an/an/an/a


TBA

Assay Description
To measure activity of bromodomain inhibitors, a His-epitope tagged BRD4 BD149-170 is purchased from BPS Bioscience. BRD4 binding and inhibition is a...


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM472837
PNG
(US10836742, Compound 8)
Show SMILES Cc1cc(cn(C)c1=O)-c1ccc2CCC(=O)N(CCOC(F)(F)F)c2c1
Show InChI InChI=1S/C19H19F3N2O3/c1-12-9-15(11-23(2)18(12)26)14-4-3-13-5-6-17(25)24(16(13)10-14)7-8-27-19(20,21)22/h3-4,9-11H,5-8H2,1-2H3
PDB

GoogleScholar
UniChem
n/an/a 940n/an/an/an/an/an/a


TBA

Assay Description
To measure activity of bromodomain inhibitors, a His-epitope tagged BRD4 BD149-170 is purchased from BPS Bioscience. BRD4 binding and inhibition is a...


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM472847
PNG
(US10836742, Compound 15)
Show SMILES Cc1cc(cn(C)c1=O)-c1ccc2CCC(=O)N(C[C@H]3CCCCO3)c2c1
Show InChI InChI=1S/C22H26N2O3/c1-15-11-18(13-23(2)22(15)26)17-7-6-16-8-9-21(25)24(20(16)12-17)14-19-5-3-4-10-27-19/h6-7,11-13,19H,3-5,8-10,14H2,1-2H3/t19-/m1/s1
PDB

GoogleScholar
UniChem
n/an/a 1.53E+3n/an/an/an/an/an/a


TBA

Assay Description
To measure activity of bromodomain inhibitors, a His-epitope tagged BRD4 BD149-170 is purchased from BPS Bioscience. BRD4 binding and inhibition is a...


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM472848
PNG
(US10836742, Compound 16)
Show SMILES Cc1cc(cn(C)c1=O)-c1ccc2N(Cc3ccccc3)C(=O)COc2c1
Show InChI InChI=1S/C22H20N2O3/c1-15-10-18(13-23(2)22(15)26)17-8-9-19-20(11-17)27-14-21(25)24(19)12-16-6-4-3-5-7-16/h3-11,13H,12,14H2,1-2H3
PDB

GoogleScholar
UniChem
n/an/a 1.58E+3n/an/an/an/an/an/a


TBA

Assay Description
To measure activity of bromodomain inhibitors, a His-epitope tagged BRD4 BD149-170 is purchased from BPS Bioscience. BRD4 binding and inhibition is a...


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM472702
PNG
(US10836742, Compound 6)
Show SMILES COc1cc(cc2CCC(=O)N(Cc3ccccc3)c12)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C24H24N2O3/c1-16-11-20(15-25(2)24(16)28)19-12-18-9-10-22(27)26(23(18)21(13-19)29-3)14-17-7-5-4-6-8-17/h4-8,11-13,15H,9-10,14H2,1-3H3
PDB

GoogleScholar
UniChem
n/an/a 2.58E+3n/an/an/an/an/an/a


TBA

Assay Description
To measure activity of bromodomain inhibitors, a His-epitope tagged BRD4 BD149-170 is purchased from BPS Bioscience. BRD4 binding and inhibition is a...


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain containing 4 (aa 49-170)


(Homo sapiens (Human))
BDBM472846
PNG
(US10836742, Compound 14)
Show SMILES Cc1cc(cn(C)c1=O)-c1ccc2CCC(=O)N(C[C@@H]3CCCCO3)c2c1
Show InChI InChI=1S/C22H26N2O3/c1-15-11-18(13-23(2)22(15)26)17-7-6-16-8-9-21(25)24(20(16)12-17)14-19-5-3-4-10-27-19/h6-7,11-13,19H,3-5,8-10,14H2,1-2H3/t19-/m0/s1
PDB

GoogleScholar
UniChem
n/an/a 3.67E+3n/an/an/an/an/an/a


TBA

Assay Description
To measure activity of bromodomain inhibitors, a His-epitope tagged BRD4 BD149-170 is purchased from BPS Bioscience. BRD4 binding and inhibition is a...


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