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Patent code US9884874

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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM283120
PNG
(Preparation of (R)-(6-(4-chlorophenyl)-1-methyl-8-...)
Show SMILES Cc1nnc2[C@H](COS(C)(=O)=O)N=C(c3ccc(Cl)cc3)c3cc(ccc3-n12)-c1cnn(C)c1
Show InChI InChI=1S/C23H21ClN6O3S/c1-14-27-28-23-20(13-33-34(3,31)32)26-22(15-4-7-18(24)8-5-15)19-10-16(6-9-21(19)30(14)23)17-11-25-29(2)12-17/h4-12,20H,13H2,1-3H3/t20-/m0/s1
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n/an/a 87n/an/an/an/an/an/a



KAINOS MEDICINE, INC.

US Patent


Assay Description
Bromodomain binding assays were carried out in Reaction Biology (PA, USA) to test the degrees of the inventive compounds in inhibiting the human BRD4...


US Patent US9884874 (2018)

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


(Homo sapiens (Human))
BDBM283124
PNG
(Preparation of (R)-(4-(4-chlorophenyl)-2,3,9-trime...)
Show SMILES Cc1sc(NC(=O)[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)c(C(=O)c2ccc(Cl)cc2)c1C
Show InChI InChI=1S/C24H29ClN2O5S/c1-13-14(2)33-21(18(13)19(28)15-8-10-16(25)11-9-15)26-20(29)17-12-31-24(6,7)27(17)22(30)32-23(3,4)5/h8-11,17H,12H2,1-7H3,(H,26,29)/t17-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



KAINOS MEDICINE, INC.

US Patent


Assay Description
Bromodomain binding assays were carried out in Reaction Biology (PA, USA) to test the degrees of the inventive compounds in inhibiting the human BRD4...


US Patent US9884874 (2018)

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


(Homo sapiens (Human))
BDBM283122
PNG
(US9884874, Compound 13)
Show SMILES CN(C)C(=O)Cn1cc(cn1)-c1ccc-2c(c1)C(=N[C@@H](COS(C)(=O)=O)c1nnc(C)n-21)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H26ClN7O4S/c1-16-30-31-26-22(15-38-39(4,36)37)29-25(17-5-8-20(27)9-6-17)21-11-18(7-10-23(21)34(16)26)19-12-28-33(13-19)14-24(35)32(2)3/h5-13,22H,14-15H2,1-4H3/t22-/m0/s1
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KAINOS MEDICINE, INC.

US Patent


Assay Description
Bromodomain binding assays were carried out in Reaction Biology (PA, USA) to test the degrees of the inventive compounds in inhibiting the human BRD4...


US Patent US9884874 (2018)

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


(Homo sapiens (Human))
BDBM283121
PNG
(US9884874, Compound 12)
Show SMILES Cc1nnc2[C@H](COS(C)(=O)=O)N=C(c3ccc(Cl)cc3)c3cc(ccc3-n12)-c1cnn(CC(N)=O)c1
Show InChI InChI=1S/C24H22ClN7O4S/c1-14-29-30-24-20(13-36-37(2,34)35)28-23(15-3-6-18(25)7-4-15)19-9-16(5-8-21(19)32(14)24)17-10-27-31(11-17)12-22(26)33/h3-11,20H,12-13H2,1-2H3,(H2,26,33)/t20-/m0/s1
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KAINOS MEDICINE, INC.

US Patent


Assay Description
Bromodomain binding assays were carried out in Reaction Biology (PA, USA) to test the degrees of the inventive compounds in inhibiting the human BRD4...


US Patent US9884874 (2018)

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


(Homo sapiens (Human))
BDBM283127
PNG
(Preparation of (R)-(4-(4-chlorophenyl)-2,3,9-trime...)
Show SMILES CNS(=O)(=O)OC[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H20ClN5O3S2/c1-10-11(2)29-19-16(10)17(13-5-7-14(20)8-6-13)22-15(9-28-30(26,27)21-4)18-24-23-12(3)25(18)19/h5-8,15,21H,9H2,1-4H3/t15-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



KAINOS MEDICINE, INC.

US Patent


Assay Description
Bromodomain binding assays were carried out in Reaction Biology (PA, USA) to test the degrees of the inventive compounds in inhibiting the human BRD4...


US Patent US9884874 (2018)

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


(Homo sapiens (Human))
BDBM283109
PNG
(Preparation of (R)-(6-(4-chlorophenyl)-8-methoxy-1...)
Show SMILES COc1ccc-2c(c1)C(=N[C@@H](COS(C)(=O)=O)c1nnc(C)n-21)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H19ClN4O4S/c1-12-23-24-20-17(11-29-30(3,26)27)22-19(13-4-6-14(21)7-5-13)16-10-15(28-2)8-9-18(16)25(12)20/h4-10,17H,11H2,1-3H3/t17-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



KAINOS MEDICINE, INC.

US Patent


Assay Description
Bromodomain binding assays were carried out in Reaction Biology (PA, USA) to test the degrees of the inventive compounds in inhibiting the human BRD4...


US Patent US9884874 (2018)

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


(Homo sapiens (Human))
BDBM283117
PNG
(Preparation of (R)-(6-(4-chlorophenyl)-8-methoxy-1...)
Show SMILES COc1ccc-2c(c1)C(=N[C@@H](COS(N)(=O)=O)c1nnc(C)n-21)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H18ClN5O4S/c1-11-23-24-19-16(10-29-30(21,26)27)22-18(12-3-5-13(20)6-4-12)15-9-14(28-2)7-8-17(15)25(11)19/h3-9,16H,10H2,1-2H3,(H2,21,26,27)/t16-/m0/s1
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n/an/a 220n/an/an/an/an/an/a



KAINOS MEDICINE, INC.

US Patent


Assay Description
Bromodomain binding assays were carried out in Reaction Biology (PA, USA) to test the degrees of the inventive compounds in inhibiting the human BRD4...


US Patent US9884874 (2018)

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


(Homo sapiens (Human))
BDBM283110
PNG
(Preparation of (R)-(6-(4-chlorophenyl)-8-methoxy-1...)
Show SMILES CCS(=O)(=O)OC[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12
Show InChI InChI=1S/C21H21ClN4O4S/c1-4-31(27,28)30-12-18-21-25-24-13(2)26(21)19-10-9-16(29-3)11-17(19)20(23-18)14-5-7-15(22)8-6-14/h5-11,18H,4,12H2,1-3H3/t18-/m0/s1
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n/an/a 220n/an/an/an/an/an/a



KAINOS MEDICINE, INC.

US Patent


Assay Description
Bromodomain binding assays were carried out in Reaction Biology (PA, USA) to test the degrees of the inventive compounds in inhibiting the human BRD4...


US Patent US9884874 (2018)

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


(Homo sapiens (Human))
BDBM283115
PNG
(Preparation of (R)-(6-(4-cyanophenyl)-8-methoxy-1-...)
Show SMILES COc1ccc-2c(c1)C(=N[C@@H](COS(C)(=O)=O)c1nnc(C)n-21)c1ccc(cc1)C#N
Show InChI InChI=1S/C21H19N5O4S/c1-13-24-25-21-18(12-30-31(3,27)28)23-20(15-6-4-14(11-22)5-7-15)17-10-16(29-2)8-9-19(17)26(13)21/h4-10,18H,12H2,1-3H3/t18-/m0/s1
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n/an/a 230n/an/an/an/an/an/a



KAINOS MEDICINE, INC.

US Patent


Assay Description
Bromodomain binding assays were carried out in Reaction Biology (PA, USA) to test the degrees of the inventive compounds in inhibiting the human BRD4...


US Patent US9884874 (2018)

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


(Homo sapiens (Human))
BDBM283125
PNG
(Preparation of (R)-(4-(4-chlorophenyl)-2,3,9-trime...)
Show SMILES Cc1nnc2[C@H](COS(N)(=O)=O)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H18ClN5O3S2/c1-9-10(2)28-18-15(9)16(12-4-6-13(19)7-5-12)21-14(8-27-29(20,25)26)17-23-22-11(3)24(17)18/h4-7,14H,8H2,1-3H3,(H2,20,25,26)/t14-/m0/s1
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n/an/a 250n/an/an/an/an/an/a



KAINOS MEDICINE, INC.

US Patent


Assay Description
Bromodomain binding assays were carried out in Reaction Biology (PA, USA) to test the degrees of the inventive compounds in inhibiting the human BRD4...


US Patent US9884874 (2018)

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


(Homo sapiens (Human))
BDBM283118
PNG
(Preparation of (R)-(6-(4-chlorophenyl)-8-methoxy-1...)
Show SMILES COc1ccc-2c(c1)C(=N[C@@H](COS(=O)(=O)N(C)C)c1nnc(C)n-21)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H22ClN5O4S/c1-13-24-25-21-18(12-31-32(28,29)26(2)3)23-20(14-5-7-15(22)8-6-14)17-11-16(30-4)9-10-19(17)27(13)21/h5-11,18H,12H2,1-4H3/t18-/m0/s1
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n/an/a 280n/an/an/an/an/an/a



KAINOS MEDICINE, INC.

US Patent


Assay Description
Bromodomain binding assays were carried out in Reaction Biology (PA, USA) to test the degrees of the inventive compounds in inhibiting the human BRD4...


US Patent US9884874 (2018)

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


(Homo sapiens (Human))
BDBM283123
PNG
(Preparation of (R)-(6-(4-chlorophenyl)-8-((2-hydro...)
Show SMILES Cc1nnc2[C@H](CO[Si](C)(C)C(C)(C)C)N=C(c3ccc(Cl)cc3)c3cc(\C=C\c4ccccc4)ccc3-n12
Show InChI InChI=1S/C32H35ClN4OSi/c1-22-35-36-31-28(21-38-39(5,6)32(2,3)4)34-30(25-15-17-26(33)18-16-25)27-20-24(14-19-29(27)37(22)31)13-12-23-10-8-7-9-11-23/h7-20,28H,21H2,1-6H3/b13-12+/t28-/m0/s1
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n/an/a 380n/an/an/an/an/an/a



KAINOS MEDICINE, INC.

US Patent


Assay Description
Bromodomain binding assays were carried out in Reaction Biology (PA, USA) to test the degrees of the inventive compounds in inhibiting the human BRD4...


US Patent US9884874 (2018)

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


(Homo sapiens (Human))
BDBM283111
PNG
(Preparation of (R)-(6-(4-chlorophenyl)-8-methoxy-1...)
Show SMILES CCCS(=O)(=O)OC[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12
Show InChI InChI=1S/C22H23ClN4O4S/c1-4-11-32(28,29)31-13-19-22-26-25-14(2)27(22)20-10-9-17(30-3)12-18(20)21(24-19)15-5-7-16(23)8-6-15/h5-10,12,19H,4,11,13H2,1-3H3/t19-/m0/s1
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n/an/a 390n/an/an/an/an/an/a



KAINOS MEDICINE, INC.

US Patent


Assay Description
Bromodomain binding assays were carried out in Reaction Biology (PA, USA) to test the degrees of the inventive compounds in inhibiting the human BRD4...


US Patent US9884874 (2018)

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


(Homo sapiens (Human))
BDBM283119
PNG
(Preparation of (R)-(6-(4-chlorophenyl)-8-methoxy-1...)
Show SMILES CNS(=O)(=O)OC[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12
Show InChI InChI=1S/C20H20ClN5O4S/c1-12-24-25-20-17(11-30-31(27,28)22-2)23-19(13-4-6-14(21)7-5-13)16-10-15(29-3)8-9-18(16)26(12)20/h4-10,17,22H,11H2,1-3H3/t17-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



KAINOS MEDICINE, INC.

US Patent


Assay Description
Bromodomain binding assays were carried out in Reaction Biology (PA, USA) to test the degrees of the inventive compounds in inhibiting the human BRD4...


US Patent US9884874 (2018)

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


(Homo sapiens (Human))
BDBM283112
PNG
(Preparation of (R)-(6-(4-chlorophenyl)-8-methoxy-1...)
Show SMILES COc1ccc-2c(c1)C(=N[C@@H](COS(=O)(=O)C1CC1)c1nnc(C)n-21)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H21ClN4O4S/c1-13-25-26-22-19(12-31-32(28,29)17-8-9-17)24-21(14-3-5-15(23)6-4-14)18-11-16(30-2)7-10-20(18)27(13)22/h3-7,10-11,17,19H,8-9,12H2,1-2H3/t19-/m0/s1
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n/an/a 420n/an/an/an/an/an/a



KAINOS MEDICINE, INC.

US Patent


Assay Description
Bromodomain binding assays were carried out in Reaction Biology (PA, USA) to test the degrees of the inventive compounds in inhibiting the human BRD4...


US Patent US9884874 (2018)

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


(Homo sapiens (Human))
BDBM283126
PNG
(Preparation of (R)-(4-(4-chlorophenyl)-2,3,9-trime...)
Show SMILES CN(C)S(=O)(=O)OC[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H22ClN5O3S2/c1-11-12(2)30-20-17(11)18(14-6-8-15(21)9-7-14)22-16(10-29-31(27,28)25(4)5)19-24-23-13(3)26(19)20/h6-9,16H,10H2,1-5H3/t16-/m0/s1
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KAINOS MEDICINE, INC.

US Patent


Assay Description
Bromodomain binding assays were carried out in Reaction Biology (PA, USA) to test the degrees of the inventive compounds in inhibiting the human BRD4...


US Patent US9884874 (2018)

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


(Homo sapiens (Human))
BDBM283113
PNG
(Preparation of (R)-(6-(4-chlorophenyl)-8-methoxy-1...)
Show SMILES COc1ccc-2c(c1)C(=N[C@@H](COS(=O)(=O)c1ccccc1)c1nnc(C)n-21)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H21ClN4O4S/c1-16-28-29-25-22(15-34-35(31,32)20-6-4-3-5-7-20)27-24(17-8-10-18(26)11-9-17)21-14-19(33-2)12-13-23(21)30(16)25/h3-14,22H,15H2,1-2H3/t22-/m0/s1
PDB

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KAINOS MEDICINE, INC.

US Patent


Assay Description
Bromodomain binding assays were carried out in Reaction Biology (PA, USA) to test the degrees of the inventive compounds in inhibiting the human BRD4...


US Patent US9884874 (2018)

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


(Homo sapiens (Human))
BDBM283114
PNG
(Preparation of (R)-(6-(4-chlorophenyl)-1-methyl-4H...)
Show SMILES Cc1nnc2[C@H](COS(C)(=O)=O)N=C(c3ccc(Cl)cc3)c3ccccc3-n12
Show InChI InChI=1S/C19H17ClN4O3S/c1-12-22-23-19-16(11-27-28(2,25)26)21-18(13-7-9-14(20)10-8-13)15-5-3-4-6-17(15)24(12)19/h3-10,16H,11H2,1-2H3/t16-/m0/s1
PDB

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n/an/a 1.41E+3n/an/an/an/an/an/a



KAINOS MEDICINE, INC.

US Patent


Assay Description
Bromodomain binding assays were carried out in Reaction Biology (PA, USA) to test the degrees of the inventive compounds in inhibiting the human BRD4...


US Patent US9884874 (2018)

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