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Patent code US10689390

Compile Data Set for Download or QSAR
Found 18 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))
BDBM50260101
PNG
(CHEMBL4068487 | US10689390, Compound 38)
Show SMILES CCNC(=O)CC1N=C(c2cc(OC)ccc2-c2cn(C)c(=O)cc12)c1c(F)cccc1F
Show InChI InChI=1S/C25H23F2N3O3/c1-4-28-22(31)12-21-16-11-23(32)30(2)13-18(16)15-9-8-14(33-3)10-17(15)25(29-21)24-19(26)6-5-7-20(24)27/h5-11,13,21H,4,12H2,1-3H3,(H,28,31)
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n/an/a<0.5n/an/an/an/an/an/a



JUBILANT BIOSYS LIMITED

US Patent


Assay Description
Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...


US Patent US10689390 (2020)

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


(Homo sapiens (Human))
BDBM448073
PNG
(US10689390, Compound 23)
Show SMILES CCOC(=O)CC1N=C(c2cc(OC)ccc2-c2cn(C)c(=O)cc12)c1c(F)cccc1F
Show InChI InChI=1S/C25H22F2N2O4/c1-4-33-23(31)12-21-16-11-22(30)29(2)13-18(16)15-9-8-14(32-3)10-17(15)25(28-21)24-19(26)6-5-7-20(24)27/h5-11,13,21H,4,12H2,1-3H3
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n/an/a 1n/an/an/an/an/an/a



JUBILANT BIOSYS LIMITED

US Patent


Assay Description
Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...


US Patent US10689390 (2020)

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


(Homo sapiens (Human))
BDBM448074
PNG
(US10689390, Compound 25)
Show SMILES CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-c2cn(C)c(=O)cc12
Show InChI InChI=1S/C25H24ClN3O3/c1-4-27-23(30)13-22-19-12-24(31)29(2)14-21(19)18-10-9-17(32-3)11-20(18)25(28-22)15-5-7-16(26)8-6-15/h5-12,14,22H,4,13H2,1-3H3,(H,27,30)
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n/an/a 1.60n/an/an/an/an/an/a



JUBILANT BIOSYS LIMITED

US Patent


Assay Description
Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...


US Patent US10689390 (2020)

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


(Homo sapiens (Human))
BDBM50260078
PNG
(CHEMBL4095826 | US10689390, Compound 26)
Show SMILES CCNC(=O)CC1N=C(C2CCCCC2)c2cc(OC)ccc2-c2cn(C)c(=O)cc12
Show InChI InChI=1S/C25H31N3O3/c1-4-26-23(29)14-22-19-13-24(30)28(2)15-21(19)18-11-10-17(31-3)12-20(18)25(27-22)16-8-6-5-7-9-16/h10-13,15-16,22H,4-9,14H2,1-3H3,(H,26,29)
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n/an/a 2n/an/an/an/an/an/a



JUBILANT BIOSYS LIMITED

US Patent


Assay Description
Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...


US Patent US10689390 (2020)

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


(Homo sapiens (Human))
BDBM50260080
PNG
(CHEMBL4088097 | US10689390, Compound 14)
Show SMILES CCOC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-c2cn(C)c(=O)cc12
Show InChI InChI=1S/C25H23ClN2O4/c1-4-32-24(30)13-22-19-12-23(29)28(2)14-21(19)18-10-9-17(31-3)11-20(18)25(27-22)15-5-7-16(26)8-6-15/h5-12,14,22H,4,13H2,1-3H3
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JUBILANT BIOSYS LIMITED

US Patent


Assay Description
Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...


US Patent US10689390 (2020)

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


(Homo sapiens (Human))
BDBM448083
PNG
(US10689390, Compound 39)
Show SMILES CCNC(=O)CC1N=C(c2ccc(Cl)cc2C)c2cc(OC)ccc2-c2cn(C)c(=O)cc12
Show InChI InChI=1S/C26H26ClN3O3/c1-5-28-24(31)13-23-20-12-25(32)30(3)14-22(20)19-9-7-17(33-4)11-21(19)26(29-23)18-8-6-16(27)10-15(18)2/h6-12,14,23H,5,13H2,1-4H3,(H,28,31)
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n/an/a 4n/an/an/an/an/an/a



JUBILANT BIOSYS LIMITED

US Patent


Assay Description
Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...


US Patent US10689390 (2020)

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


(Homo sapiens (Human))
BDBM448081
PNG
(US10689390, Compound 37)
Show SMILES CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(F)ccc2-c2cn(C)c(=O)cc12
Show InChI InChI=1S/C24H21ClFN3O2/c1-3-27-22(30)12-21-18-11-23(31)29(2)13-20(18)17-9-8-16(26)10-19(17)24(28-21)14-4-6-15(25)7-5-14/h4-11,13,21H,3,12H2,1-2H3,(H,27,30)
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JUBILANT BIOSYS LIMITED

US Patent


Assay Description
Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...


US Patent US10689390 (2020)

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


(Homo sapiens (Human))
BDBM448076
PNG
(US10689390, Compound 27)
Show SMILES CCNC(=O)CC1N=C(c2ccccn2)c2cc(OC)ccc2-c2cn(C)c(=O)cc12
Show InChI InChI=1S/C24H24N4O3/c1-4-25-22(29)13-21-17-12-23(30)28(2)14-19(17)16-9-8-15(31-3)11-18(16)24(27-21)20-7-5-6-10-26-20/h5-12,14,21H,4,13H2,1-3H3,(H,25,29)
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n/an/a 4.40n/an/an/an/an/an/a



JUBILANT BIOSYS LIMITED

US Patent


Assay Description
Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...


US Patent US10689390 (2020)

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


(Homo sapiens (Human))
BDBM448067
PNG
(US10689390, Compound 2)
Show SMILES CCOC(=O)CC1OC(C2CCCCC2)c2cc(OC)ccc2-c2cn(C)c(=O)cc12
Show InChI InChI=1S/C25H31NO5/c1-4-30-24(28)14-22-19-13-23(27)26(2)15-21(19)18-11-10-17(29-3)12-20(18)25(31-22)16-8-6-5-7-9-16/h10-13,15-16,22,25H,4-9,14H2,1-3H3
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n/an/a 10n/an/an/an/an/an/a



JUBILANT BIOSYS LIMITED

US Patent


Assay Description
Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...


US Patent US10689390 (2020)

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


(Homo sapiens (Human))
BDBM448078
PNG
(US10689390, Compound 30)
Show SMILES CCNC(=O)CC1N=C(CC2CC2)c2cc(OC)ccc2-c2cn(C)c(=O)cc12
Show InChI InChI=1S/C23H27N3O3/c1-4-24-22(27)12-21-18-11-23(28)26(2)13-19(18)16-8-7-15(29-3)10-17(16)20(25-21)9-14-5-6-14/h7-8,10-11,13-14,21H,4-6,9,12H2,1-3H3,(H,24,27)
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JUBILANT BIOSYS LIMITED

US Patent


Assay Description
Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...


US Patent US10689390 (2020)

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


(Homo sapiens (Human))
BDBM448068
PNG
(US10689390, Compound 8F)
Show SMILES CCNC(=O)CC1OC(c2ccc(Cl)cc2)c2cc(OC)ccc2-c2cn(C)c(=O)cc12
Show InChI InChI=1S/C25H25ClN2O4/c1-4-27-23(29)13-22-19-12-24(30)28(2)14-21(19)18-10-9-17(31-3)11-20(18)25(32-22)15-5-7-16(26)8-6-15/h5-12,14,22,25H,4,13H2,1-3H3,(H,27,29)
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JUBILANT BIOSYS LIMITED

US Patent


Assay Description
Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...


US Patent US10689390 (2020)

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


(Homo sapiens (Human))
BDBM448066
PNG
(US10689390, Compound 1)
Show SMILES CCOC(=O)CC1OC(c2ccc(Cl)cc2)c2cc(OC)ccc2-c2cn(C)c(=O)cc12
Show InChI InChI=1S/C25H24ClNO5/c1-4-31-24(29)13-22-19-12-23(28)27(2)14-21(19)18-10-9-17(30-3)11-20(18)25(32-22)15-5-7-16(26)8-6-15/h5-12,14,22,25H,4,13H2,1-3H3
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JUBILANT BIOSYS LIMITED

US Patent


Assay Description
Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...


US Patent US10689390 (2020)

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


(Homo sapiens (Human))
BDBM448077
PNG
(US10689390, Compound 28)
Show SMILES COc1ccc2-c3cn(C)c(=O)cc3C(CC(N)=O)N=C(c3ccc(Cl)cc3)c2c1
Show InChI InChI=1S/C23H20ClN3O3/c1-27-12-19-16-8-7-15(30-2)9-18(16)23(13-3-5-14(24)6-4-13)26-20(11-21(25)28)17(19)10-22(27)29/h3-10,12,20H,11H2,1-2H3,(H2,25,28)
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JUBILANT BIOSYS LIMITED

US Patent


Assay Description
Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...


US Patent US10689390 (2020)

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


(Homo sapiens (Human))
BDBM448079
PNG
(US10689390, Compound 32)
Show SMILES CCNC(=O)CC1N=C(c2cc(OC)ccc2-c2cn(C)c(=O)cc12)C(F)(F)F
Show InChI InChI=1S/C20H20F3N3O3/c1-4-24-17(27)9-16-13-8-18(28)26(2)10-15(13)12-6-5-11(29-3)7-14(12)19(25-16)20(21,22)23/h5-8,10,16H,4,9H2,1-3H3,(H,24,27)
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JUBILANT BIOSYS LIMITED

US Patent


Assay Description
Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...


US Patent US10689390 (2020)

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


(Homo sapiens (Human))
BDBM448069
PNG
(US10689390, Compound 11)
Show SMILES CCNC(=O)CC1OC(c2ccc(C)cn2)c2cc(OC)ccc2-c2cn(C)c(=O)cc12
Show InChI InChI=1S/C25H27N3O4/c1-5-26-23(29)12-22-18-11-24(30)28(3)14-20(18)17-8-7-16(31-4)10-19(17)25(32-22)21-9-6-15(2)13-27-21/h6-11,13-14,22,25H,5,12H2,1-4H3,(H,26,29)
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JUBILANT BIOSYS LIMITED

US Patent


Assay Description
Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...


US Patent US10689390 (2020)

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


(Homo sapiens (Human))
BDBM448080
PNG
(US10689390, Compound 35)
Show SMILES CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(ccc2-c2cn(C)c(=O)cc12)C(F)(F)F
Show InChI InChI=1S/C25H21ClF3N3O2/c1-3-30-22(33)12-21-18-11-23(34)32(2)13-20(18)17-9-6-15(25(27,28)29)10-19(17)24(31-21)14-4-7-16(26)8-5-14/h4-11,13,21H,3,12H2,1-2H3,(H,30,33)
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JUBILANT BIOSYS LIMITED

US Patent


Assay Description
Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...


US Patent US10689390 (2020)

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


(Homo sapiens (Human))
BDBM448071
PNG
(US10689390, Compound 18)
Show SMILES CCOC(=O)CC1N=C(c2cc(OC)ccc2-c2cn(C)c(=O)cc12)C(F)(F)F
Show InChI InChI=1S/C20H19F3N2O4/c1-4-29-18(27)9-16-13-8-17(26)25(2)10-15(13)12-6-5-11(28-3)7-14(12)19(24-16)20(21,22)23/h5-8,10,16H,4,9H2,1-3H3
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JUBILANT BIOSYS LIMITED

US Patent


Assay Description
Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...


US Patent US10689390 (2020)

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


(Homo sapiens (Human))
BDBM448072
PNG
(US10689390, Compound 19)
Show SMILES CCOC(=O)CC1N=C(C)c2cc(OC)ccc2-c2cn(C)c(=O)cc12
Show InChI InChI=1S/C20H22N2O4/c1-5-26-20(24)10-18-16-9-19(23)22(3)11-17(16)14-7-6-13(25-4)8-15(14)12(2)21-18/h6-9,11,18H,5,10H2,1-4H3
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JUBILANT BIOSYS LIMITED

US Patent


Assay Description
Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...


US Patent US10689390 (2020)

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