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Patent code US10703740

Compile Data Set for Download or QSAR
Found 14 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 protein 4


(Homo sapiens (Human))		BDBM449849
PNG
(5-[2-cyclobutyl-3-[2-(trifluoromethoxy)ethyl]benzi...)
Show SMILES Cc1cc(cn(C)c1=O)-c1ccc2nc(C3CCC3)n(CCOC(F)(F)F)c2c1
Show InChI InChI=1S/C21H22F3N3O2/c1-13-10-16(12-26(2)20(13)28)15-6-7-17-18(11-15)27(8-9-29-21(22,23)24)19(25-17)14-4-3-5-14/h6-7,10-12,14H,3-5,8-9H2,1-2H3
PDB

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Neomed Institute

US Patent


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...

US Patent US10703740 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM449854
PNG
(5-[3-[(1R)-2-methoxy-1-methyl-ethyl]-2-methyl-benz...)
Show SMILES COC[C@@H](C)n1c(C)nc2ccc(cc12)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C19H23N3O2/c1-12-8-16(10-21(4)19(12)23)15-6-7-17-18(9-15)22(14(3)20-17)13(2)11-24-5/h6-10,13H,11H2,1-5H3/t13-/m1/s1
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US Patent


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...

US Patent US10703740 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM449853
PNG
(5-[3-[(1R)-2-methoxy-1-methyl-ethyl]-2-tetrahydrop...)
Show SMILES COC[C@@H](C)n1c(nc2ccc(cc12)-c1cc(C)c(=O)n(C)c1)C1CCOCC1
Show InChI InChI=1S/C23H29N3O3/c1-15-11-19(13-25(3)23(15)27)18-5-6-20-21(12-18)26(16(2)14-28-4)22(24-20)17-7-9-29-10-8-17/h5-6,11-13,16-17H,7-10,14H2,1-4H3/t16-/m1/s1
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US Patent


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...

US Patent US10703740 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM449857
PNG
(5-[2-cyclopropyl-3-[(1R)-2-methoxy-1-methylethyl]b...)
Show SMILES COC[C@@H](C)n1c(nc2ccc(cc12)-c1cc(C)c(=O)n(C)c1)C1CC1
Show InChI InChI=1S/C21H25N3O2/c1-13-9-17(11-23(3)21(13)25)16-7-8-18-19(10-16)24(14(2)12-26-4)20(22-18)15-5-6-15/h7-11,14-15H,5-6,12H2,1-4H3/t14-/m1/s1
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US Patent


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...

US Patent US10703740 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM449847
PNG
(5-[2-(1-acetyl-4-piperidyl)-3-[2-(trifluoromethoxy...)
Show SMILES CC(=O)N1CCC(CC1)c1nc2ccc(cc2n1CCOC(F)(F)F)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C24H27F3N4O3/c1-15-12-19(14-29(3)23(15)33)18-4-5-20-21(13-18)31(10-11-34-24(25,26)27)22(28-20)17-6-8-30(9-7-17)16(2)32/h4-5,12-14,17H,6-11H2,1-3H3
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US Patent


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...

US Patent US10703740 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM449844
PNG
(Synthesis of 1,3-dimethyl-5-[2-tetrahydropyran-4-y...)
Show SMILES Cc1cc(cn(C)c1=O)-c1ccc2nc(C3CCOCC3)n(CCOC(F)(F)F)c2c1
Show InChI InChI=1S/C22H24F3N3O3/c1-14-11-17(13-27(2)21(14)29)16-3-4-18-19(12-16)28(7-10-31-22(23,24)25)20(26-18)15-5-8-30-9-6-15/h3-4,11-13,15H,5-10H2,1-2H3
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US Patent


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...

US Patent US10703740 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM449848
PNG
(1,3-dimethyl-5-[2-methyl-3-[2-(trifluoromethoxy)et...)
Show SMILES Cc1nc2ccc(cc2n1CCOC(F)(F)F)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C18H18F3N3O2/c1-11-8-14(10-23(3)17(11)25)13-4-5-15-16(9-13)24(12(2)22-15)6-7-26-18(19,20)21/h4-5,8-10H,6-7H2,1-3H3
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US Patent


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...

US Patent US10703740 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM449845
PNG
(5-[2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]benz...)
Show SMILES Cc1cc(cn(C)c1=O)-c1ccc2nc(C3CC3)n(CCOC(F)(F)F)c2c1
Show InChI InChI=1S/C20H20F3N3O2/c1-12-9-15(11-25(2)19(12)27)14-5-6-16-17(10-14)26(7-8-28-20(21,22)23)18(24-16)13-3-4-13/h5-6,9-11,13H,3-4,7-8H2,1-2H3
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US Patent


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...

US Patent US10703740 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM449851
PNG
(5-[3-(2-methoxyethyl)-2-methyl-benzimidazol-5-yl]-...)
Show SMILES COCCn1c(C)nc2ccc(cc12)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C18H21N3O2/c1-12-9-15(11-20(3)18(12)22)14-5-6-16-17(10-14)21(7-8-23-4)13(2)19-16/h5-6,9-11H,7-8H2,1-4H3
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US Patent


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...

US Patent US10703740 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM449852
PNG
(5-[3-(2-methoxyethyl)-2-tetrahydropyran-4-yl-benzi...)
Show SMILES COCCn1c(nc2ccc(cc12)-c1cc(C)c(=O)n(C)c1)C1CCOCC1
Show InChI InChI=1S/C22H27N3O3/c1-15-12-18(14-24(2)22(15)26)17-4-5-19-20(13-17)25(8-11-27-3)21(23-19)16-6-9-28-10-7-16/h4-5,12-14,16H,6-11H2,1-3H3
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US Patent


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...

US Patent US10703740 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM449850
PNG
(5-[2-cyclopropyl-3-(2-methoxyethyl)benzimidazol-5-...)
Show SMILES COCCn1c(nc2ccc(cc12)-c1cc(C)c(=O)n(C)c1)C1CC1
Show InChI InChI=1S/C20H23N3O2/c1-13-10-16(12-22(2)20(13)24)15-6-7-17-18(11-15)23(8-9-25-3)19(21-17)14-4-5-14/h6-7,10-12,14H,4-5,8-9H2,1-3H3
PDB

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US Patent


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...

US Patent US10703740 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM449846
PNG
(1,3-dimethyl-5-[3-[2-(trifluoromethoxy)ethyl]benzi...)
Show SMILES Cc1cc(cn(C)c1=O)-c1ccc2ncn(CCOC(F)(F)F)c2c1
Show InChI InChI=1S/C17H16F3N3O2/c1-11-7-13(9-22(2)16(11)24)12-3-4-14-15(8-12)23(10-21-14)5-6-25-17(18,19)20/h3-4,7-10H,5-6H2,1-2H3
PDB

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US Patent


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...

US Patent US10703740 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM449855
PNG
(5-[3-[(1R)-2-methoxy-1-methyl-ethyl]benzimidazol-5...)
Show SMILES COC[C@@H](C)n1cnc2ccc(cc12)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C18H21N3O2/c1-12-7-15(9-20(3)18(12)22)14-5-6-16-17(8-14)21(11-19-16)13(2)10-23-4/h5-9,11,13H,10H2,1-4H3/t13-/m1/s1
PDB

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US Patent


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...

US Patent US10703740 (2020)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM449856
PNG
(5-[2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]benz...)
Show SMILES Cn1cc(cc(OC(F)(F)F)c1=O)-c1ccc2nc(C3CC3)n(CCOC(F)(F)F)c2c1
Show InChI InChI=1S/C20H17F6N3O3/c1-28-10-13(9-16(18(28)30)32-20(24,25)26)12-4-5-14-15(8-12)29(6-7-31-19(21,22)23)17(27-14)11-2-3-11/h4-5,8-11H,2-3,6-7H2,1H3
PDB

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US Patent


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...

US Patent US10703740 (2020)

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