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USPatent US9663523

Compile data set for download or QSAR
Found 56 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))
BDBM329774
PNG
(Preparation of (−)-(4R)-6-(4-chlorophenyl)-1...)
Show SMILES Cc1nnc(C[C@H]2C=C(c3ccc(Cl)cc3)c3ccccc3-n3c(C)nnc23)o1 |r,t:7|
Show InChI InChI=1S/C22H18ClN5O/c1-13-24-27-22-16(12-21-26-25-14(2)29-21)11-19(15-7-9-17(23)10-8-15)18-5-3-4-6-20(18)28(13)22/h3-11,16H,12H2,1-2H3/t16-/m1/s1
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329749
PNG
(Preparation of (−)-2-[(4R)-6-(4-chlorophenyl...)
Show SMILES CCNC(=O)C[C@H]1C=C(c2ccc(Cl)cc2)c2ccccc2-n2c(C)nnc12 |r,t:7|
Show InChI InChI=1S/C22H21ClN4O/c1-3-24-21(28)13-16-12-19(15-8-10-17(23)11-9-15)18-6-4-5-7-20(18)27-14(2)25-26-22(16)27/h4-12,16H,3,13H2,1-2H3,(H,24,28)/t16-/m1/s1
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329738
PNG
(Preparation of ethyl (−)-(4R)-[6-(4-chloroph...)
Show SMILES CCOC(=O)C[C@H]1C=C(c2ccc(Cl)cc2)c2ccccc2-n2c(C)nnc12 |r,t:7|
Show InChI InChI=1S/C22H20ClN3O2/c1-3-28-21(27)13-16-12-19(15-8-10-17(23)11-9-15)18-6-4-5-7-20(18)26-14(2)24-25-22(16)26/h4-12,16H,3,13H2,1-2H3/t16-/m1/s1
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329771
PNG
(Preparation of (−)-6-[(4R)-4-chlorophenyl]-1...)
Show SMILES Cc1noc(C[C@H]2C=C(c3ccc(Cl)cc3)c3ccccc3-n3c(C)nnc23)n1 |r,t:7|
Show InChI InChI=1S/C22H18ClN5O/c1-13-24-21(29-27-13)12-16-11-19(15-7-9-17(23)10-8-15)18-5-3-4-6-20(18)28-14(2)25-26-22(16)28/h3-11,16H,12H2,1-2H3/t16-/m1/s1
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329775
PNG
(Preparation of 6-(4-chlorophenyl)-1-methyl-4-[(5-m...)
Show SMILES Cc1nnc(CC2C=C(c3ccc(Cl)cc3)c3ccccc3-n3c(C)nnc23)o1 |t:7|
Show InChI InChI=1S/C22H18ClN5O/c1-13-24-27-22-16(12-21-26-25-14(2)29-21)11-19(15-7-9-17(23)10-8-15)18-5-3-4-6-20(18)28(13)22/h3-11,16H,12H2,1-2H3
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329751
PNG
(Preparation of (−)-2-[(4R)-6-(4-chlorophenyl...)
Show SMILES Cc1nnc2[C@@H](CC(=O)N3CCOCC3)C=C(c3ccc(Cl)cc3)c3ccccc3-n12 |r,t:16|
Show InChI InChI=1S/C24H23ClN4O2/c1-16-26-27-24-18(15-23(30)28-10-12-31-13-11-28)14-21(17-6-8-19(25)9-7-17)20-4-2-3-5-22(20)29(16)24/h2-9,14,18H,10-13,15H2,1H3/t18-/m1/s1
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329776
PNG
(Preparation of N′-acetyl-2-[(4R)-6-(4-chloro...)
Show SMILES CC(=O)NNC(=O)C[C@H]1C=C(c2ccc(Cl)cc2)c2ccccc2-n2c(C)nnc12 |r,t:9|
Show InChI InChI=1S/C22H20ClN5O2/c1-13-24-27-22-16(12-21(30)26-25-14(2)29)11-19(15-7-9-17(23)10-8-15)18-5-3-4-6-20(18)28(13)22/h3-11,16H,12H2,1-2H3,(H,25,29)(H,26,30)/t16-/m1/s1
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329762
PNG
(Preparation of 1-{[6-(4-chlorophenyl)-1-methyl-4H-...)
Show SMILES Cc1nnc2C(CC(=O)N3CCC(=O)C3)C=C(c3ccc(Cl)cc3)c3ccccc3-n12 |t:16|
Show InChI InChI=1S/C24H21ClN4O2/c1-15-26-27-24-17(13-23(31)28-11-10-19(30)14-28)12-21(16-6-8-18(25)9-7-16)20-4-2-3-5-22(20)29(15)24/h2-9,12,17H,10-11,13-14H2,1H3
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329783
PNG
(Preparation of 6-(4-chlorophenyl)-8-methoxy-1-meth...)
Show SMILES COc1ccc-2c(c1)C(=CC(Cc1nnc(C)o1)c1nnc(C)n-21)c1ccc(Cl)cc1 |c:9|
Show InChI InChI=1S/C23H20ClN5O2/c1-13-25-28-23-16(11-22-27-26-14(2)31-22)10-19(15-4-6-17(24)7-5-15)20-12-18(30-3)8-9-21(20)29(13)23/h4-10,12,16H,11H2,1-3H3
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329755
PNG
(Preparation of (−)-2-[(4R)-6-(4-chlorophenyl...)
Show SMILES Cc1nnc2[C@H](CC(=O)N3CC4(CCS4(=O)=O)C3)C=C(c3ccc(Cl)cc3)c3ccccc3-n12 |r,t:20|
Show InChI InChI=1S/C25H23ClN4O3S/c1-16-27-28-24-18(13-23(31)29-14-25(15-29)10-11-34(25,32)33)12-21(17-6-8-19(26)9-7-17)20-4-2-3-5-22(20)30(16)24/h2-9,12,18H,10-11,13-15H2,1H3/t18-/m0/s1
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329778
PNG
(Preparation of (+)-(4R)-6-(4-chlorophenyl)-1-methy...)
Show SMILES Cc1nnc(C[C@H]2C=C(c3ccc(Cl)cc3)c3ccccc3-n3c(C)nnc23)s1 |r,t:7|
Show InChI InChI=1S/C22H18ClN5S/c1-13-24-27-22-16(12-21-26-25-14(2)29-21)11-19(15-7-9-17(23)10-8-15)18-5-3-4-6-20(18)28(13)22/h3-11,16H,12H2,1-2H3/t16-/m1/s1
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329781
PNG
(Preparation of (−)-(4R)-6-(4-chlorophenyl)-1...)
Show SMILES Cc1nnc2[C@@H](Cc3nnc(o3)-c3cccnc3)C=C(c3ccc(Cl)cc3)c3ccccc3-n12 |r,t:20|
Show InChI InChI=1S/C26H19ClN6O/c1-16-29-31-25-19(14-24-30-32-26(34-24)18-5-4-12-28-15-18)13-22(17-8-10-20(27)11-9-17)21-6-2-3-7-23(21)33(16)25/h2-13,15,19H,14H2,1H3/t19-/m1/s1
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329773
PNG
(Preparation of (−)-(4R)-6-(4-Chlorophenyl)-4...)
Show SMILES Cc1nnc2[C@@H](Cc3nc(no3)C3CC3)C=C(c3ccc(Cl)cc3)c3ccccc3-n12 |r,t:17|
Show InChI InChI=1S/C24H20ClN5O/c1-14-27-28-24-17(13-22-26-23(29-31-22)16-6-7-16)12-20(15-8-10-18(25)11-9-15)19-4-2-3-5-21(19)30(14)24/h2-5,8-12,16-17H,6-7,13H2,1H3/t17-/m1/s1
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329782
PNG
(Preparation of 6-(4-chlorophenyl)-1-methyl-4-[(5-m...)
Show SMILES Cc1nc(CC2C=C(c3ccc(Cl)cc3)c3ccccc3-n3c(C)nnc23)no1 |t:6|
Show InChI InChI=1S/C22H18ClN5O/c1-13-25-26-22-16(12-21-24-14(2)29-27-21)11-19(15-7-9-17(23)10-8-15)18-5-3-4-6-20(18)28(13)22/h3-11,16H,12H2,1-2H3
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329788
PNG
(Preparation of 2-[(4R)-6-(4-chlorophenyl)-1-methyl...)
Show SMILES Cc1nnc2[C@H](CC(=O)NCCN3CCOCC3)C=C(c3ccc(Cl)cc3)c3cc(OC(F)(F)F)ccc3-n12 |r,t:19|
Show InChI InChI=1S/C27H27ClF3N5O3/c1-17-33-34-26-19(15-25(37)32-8-9-35-10-12-38-13-11-35)14-22(18-2-4-20(28)5-3-18)23-16-21(39-27(29,30)31)6-7-24(23)36(17)26/h2-7,14,16,19H,8-13,15H2,1H3,(H,32,37)/t19-/m0/s1
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329757
PNG
(Preparation of (−)-2-[(4R)-6-(4-chlorophenyl...)
Show SMILES Cc1nnc2[C@@H](CC(=O)Nc3ccc4NC(=O)Cc4c3)C=C(c3ccc(Cl)cc3)c3ccccc3-n12 |r,t:22|
Show InChI InChI=1S/C28H22ClN5O2/c1-16-32-33-28-19(15-26(35)30-21-10-11-24-18(12-21)14-27(36)31-24)13-23(17-6-8-20(29)9-7-17)22-4-2-3-5-25(22)34(16)28/h2-13,19H,14-15H2,1H3,(H,30,35)(H,31,36)/t19-/m1/s1
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329766
PNG
(Preparation of 2-[6-(4-chlorophenyl)-1-methyl-4H-[...)
Show SMILES Cc1nnc2C(CC(=O)N3CCS(=O)(=O)C3)C=C(c3ccc(Cl)cc3)c3ccccc3-n12 |t:17|
Show InChI InChI=1S/C23H21ClN4O3S/c1-15-25-26-23-17(13-22(29)27-10-11-32(30,31)14-27)12-20(16-6-8-18(24)9-7-16)19-4-2-3-5-21(19)28(15)23/h2-9,12,17H,10-11,13-14H2,1H3
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329780
PNG
(Preparation of 6-(4-chlorophenyl)-1-methyl-4-{[5-(...)
Show SMILES Cc1nnc2C(Cc3nnc(o3)-c3cccnc3)C=C(c3ccc(Cl)cc3)c3ccccc3-n12 |t:20|
Show InChI InChI=1S/C26H19ClN6O/c1-16-29-31-25-19(14-24-30-32-26(34-24)18-5-4-12-28-15-18)13-22(17-8-10-20(27)11-9-17)21-6-2-3-7-23(21)33(16)25/h2-13,15,19H,14H2,1H3
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329790
PNG
(Preparation of (4R)-6-(4-chlorophenyl)-1-methyl-4-...)
Show SMILES Cc1nnc(C[C@@H]2C=C(c3ccc(Cl)cc3)c3cc(OC(F)(F)F)ccc3-n3c(C)nnc23)o1 |r,t:7|
Show InChI InChI=1S/C23H17ClF3N5O2/c1-12-28-31-22-15(10-21-30-29-13(2)33-21)9-18(14-3-5-16(24)6-4-14)19-11-17(34-23(25,26)27)7-8-20(19)32(12)22/h3-9,11,15H,10H2,1-2H3/t15-/m0/s1
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329772
PNG
(Preparation of (−)-(4R)-6-(4-chlorophenyl)-1...)
Show SMILES CC(C)c1noc(C[C@H]2C=C(c3ccc(Cl)cc3)c3ccccc3-n3c(C)nnc23)n1 |r,t:9|
Show InChI InChI=1S/C24H22ClN5O/c1-14(2)23-26-22(31-29-23)13-17-12-20(16-8-10-18(25)11-9-16)19-6-4-5-7-21(19)30-15(3)27-28-24(17)30/h4-12,14,17H,13H2,1-3H3/t17-/m1/s1
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n/an/a 90n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329770
PNG
(Preparation of 6-(4-chlorophenyl)-1-methyl-4-[(3-m...)
Show SMILES Cc1noc(CC2C=C(c3ccc(Cl)cc3)c3ccccc3-n3c(C)nnc23)n1 |t:7|
Show InChI InChI=1S/C22H18ClN5O/c1-13-24-21(29-27-13)12-16-11-19(15-7-9-17(23)10-8-15)18-5-3-4-6-20(18)28-14(2)25-26-22(16)28/h3-11,16H,12H2,1-2H3
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n/an/a 90n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329753
PNG
(Preparation of (−)-2-[(4R)-6-(4-chlorophenyl...)
Show SMILES Cc1nnc2[C@@H](CC(=O)N3CC(F)C3)C=C(c3ccc(Cl)cc3)c3ccccc3-n12 |r,t:15|
Show InChI InChI=1S/C23H20ClFN4O/c1-14-26-27-23-16(11-22(30)28-12-18(25)13-28)10-20(15-6-8-17(24)9-7-15)19-4-2-3-5-21(19)29(14)23/h2-10,16,18H,11-13H2,1H3/t16-/m1/s1
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n/an/a 90n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329777
PNG
(Preparation of 6-(4-chlorophenyl)-1-methyl-4-[(5-m...)
Show SMILES Cc1nnc(CC2C=C(c3ccc(Cl)cc3)c3ccccc3-n3c(C)nnc23)s1 |t:7|
Show InChI InChI=1S/C22H18ClN5S/c1-13-24-27-22-16(12-21-26-25-14(2)29-21)11-19(15-7-9-17(23)10-8-15)18-5-3-4-6-20(18)28(13)22/h3-11,16H,12H2,1-2H3
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n/an/a 100n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329763
PNG
(Preparation of (−)-1-{[(4R)-6-(4-chloropheny...)
Show SMILES Cc1nnc2[C@H](CC(=O)N3CCC(=O)C3)C=C(c3ccc(Cl)cc3)c3ccccc3-n12 |r,t:16|
Show InChI InChI=1S/C24H21ClN4O2/c1-15-26-27-24-17(13-23(31)28-11-10-19(30)14-28)12-21(16-6-8-18(25)9-7-16)20-4-2-3-5-22(20)29(15)24/h2-9,12,17H,10-11,13-14H2,1H3/t17-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329740
PNG
(Preparation of (−)-2-[(4R)-6-(4-chlorophenyl...)
Show SMILES Cc1nnc2[C@@H](CC(=O)N3CC4(COC4)C3)C=C(c3ccc(Cl)cc3)c3ccccc3-n12 |r,t:18|
Show InChI InChI=1S/C25H23ClN4O2/c1-16-27-28-24-18(11-23(31)29-12-25(13-29)14-32-15-25)10-21(17-6-8-19(26)9-7-17)20-4-2-3-5-22(20)30(16)24/h2-10,18H,11-15H2,1H3/t18-/m1/s1
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n/an/a 130n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329748
PNG
(Preparation of 2-[6-(4-chlorophenyl)-1-methyl-4H-[...)
Show SMILES CCNC(=O)CC1C=C(c2ccc(Cl)cc2)c2ccccc2-n2c(C)nnc12 |t:7|
Show InChI InChI=1S/C22H21ClN4O/c1-3-24-21(28)13-16-12-19(15-8-10-17(23)11-9-15)18-6-4-5-7-20(18)27-14(2)25-26-22(16)27/h4-12,16H,3,13H2,1-2H3,(H,24,28)
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n/an/a 130n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329779
PNG
(Preparation of 6-(4-chlorophenyl)-4-[(5-cyclopropy...)
Show SMILES Cc1nnc2C(Cc3nnc(o3)C3CC3)C=C(c3ccc(Cl)cc3)c3ccccc3-n12 |t:17|
Show InChI InChI=1S/C24H20ClN5O/c1-14-26-28-23-17(13-22-27-29-24(31-22)16-6-7-16)12-20(15-8-10-18(25)11-9-15)19-4-2-3-5-21(19)30(14)23/h2-5,8-12,16-17H,6-7,13H2,1H3
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n/an/a 130n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329789
PNG
(Preparation of 6-(4-chlorophenyl)-1-methyl-4-[(5-m...)
Show SMILES Cc1nnc(CC2C=C(c3ccc(Cl)cc3)c3cc(OC(F)(F)F)ccc3-n3c(C)nnc23)o1 |t:7|
Show InChI InChI=1S/C23H17ClF3N5O2/c1-12-28-31-22-15(10-21-30-29-13(2)33-21)9-18(14-3-5-16(24)6-4-14)19-11-17(34-23(25,26)27)7-8-20(19)32(12)22/h3-9,11,15H,10H2,1-2H3
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n/an/a 130n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329791
PNG
(Preparation of 2-{[(4R)-6-(4-chlorophenyl)-1-methy...)
Show SMILES Cc1nnc2[C@H](CC(=O)N3CCN4C(CCC4=O)C3)C=C(c3ccc(Cl)cc3)c3cc(OC(F)(F)F)ccc3-n12 |r,t:21|
Show InChI InChI=1S/C28H25ClF3N5O3/c1-16-33-34-27-18(13-26(39)35-10-11-36-20(15-35)6-9-25(36)38)12-22(17-2-4-19(29)5-3-17)23-14-21(40-28(30,31)32)7-8-24(23)37(16)27/h2-5,7-8,12,14,18,20H,6,9-11,13,15H2,1H3/t18-,20?/m0/s1
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n/an/a 180n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329767
PNG
(Preparation of (−)-2-[(4R)-6-(4-chlorophenyl...)
Show SMILES Cc1nnc2[C@H](CC(=O)N3CCS(=O)(=O)C3)C=C(c3ccc(Cl)cc3)c3ccccc3-n12 |r,t:17|
Show InChI InChI=1S/C23H21ClN4O3S/c1-15-25-26-23-17(13-22(29)27-10-11-32(30,31)14-27)12-20(16-6-8-18(24)9-7-16)19-4-2-3-5-21(19)28(15)23/h2-9,12,17H,10-11,13-14H2,1H3/t17-/m0/s1
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329737
PNG
(Preparation of ethyl [6-(4-chlorophenyl)-1-methyl-...)
Show SMILES CCOC(=O)CC1C=C(c2ccc(Cl)cc2)c2ccccc2-n2c(C)nnc12 |t:7|
Show InChI InChI=1S/C22H20ClN3O2/c1-3-28-21(27)13-16-12-19(15-8-10-17(23)11-9-15)18-6-4-5-7-20(18)26-14(2)24-25-22(16)26/h4-12,16H,3,13H2,1-2H3
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329787
PNG
(Preparation of 2-[(4R)-6-(4-chlorophenyl)-1-methyl...)
Show SMILES CCNC(=O)C[C@@H]1C=C(c2ccc(Cl)cc2)c2cc(OC(F)(F)F)ccc2-n2c(C)nnc12 |r,t:7|
Show InChI InChI=1S/C23H20ClF3N4O2/c1-3-28-21(32)11-15-10-18(14-4-6-16(24)7-5-14)19-12-17(33-23(25,26)27)8-9-20(19)31-13(2)29-30-22(15)31/h4-10,12,15H,3,11H2,1-2H3,(H,28,32)/t15-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329745
PNG
(Preparation of tert-butyl (−)-[(4R)-6-(4-chl...)
Show SMILES Cc1nnc2[C@@H](CC(=O)OC(C)(C)C)C=C(c3ccc(Cl)cc3)c3ccccc3-n12 |r,t:14|
Show InChI InChI=1S/C24H24ClN3O2/c1-15-26-27-23-17(14-22(29)30-24(2,3)4)13-20(16-9-11-18(25)12-10-16)19-7-5-6-8-21(19)28(15)23/h5-13,17H,14H2,1-4H3/t17-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329754
PNG
(Preparation of 2-[6-(4-chlorophenyl)-1-methyl-4H-[...)
Show SMILES Cc1nnc2C(CC(=O)N3CC4(CCS4(=O)=O)C3)C=C(c3ccc(Cl)cc3)c3ccccc3-n12 |t:20|
Show InChI InChI=1S/C25H23ClN4O3S/c1-16-27-28-24-18(13-23(31)29-14-25(15-29)10-11-34(25,32)33)12-21(17-6-8-19(26)9-7-17)20-4-2-3-5-22(20)30(16)24/h2-9,12,18H,10-11,13-15H2,1H3
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329739
PNG
(Preparation of 2-[6-(4-chlorophenyl)-1-methyl-4H-[...)
Show SMILES Cc1nnc2C(CC(=O)N3CC4(COC4)C3)C=C(c3ccc(Cl)cc3)c3ccccc3-n12 |t:18|
Show InChI InChI=1S/C25H23ClN4O2/c1-16-27-28-24-18(11-23(31)29-12-25(13-29)14-32-15-25)10-21(17-6-8-19(26)9-7-17)20-4-2-3-5-22(20)30(16)24/h2-10,18H,11-15H2,1H3
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n/an/a 220n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329752
PNG
(Preparation of 2-[6-(4-chlorophenyl)-1-methyl-4H-[...)
Show SMILES Cc1nnc2C(CC(=O)N3CC(F)C3)C=C(c3ccc(Cl)cc3)c3ccccc3-n12 |t:15|
Show InChI InChI=1S/C23H20ClFN4O/c1-14-26-27-23-16(11-22(30)28-12-18(25)13-28)10-20(15-6-8-17(24)9-7-15)19-4-2-3-5-21(19)29(14)23/h2-10,16,18H,11-13H2,1H3
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329760
PNG
(Preparation of 2-[6-(4-chlorophenyl)-1-methyl-4H-[...)
Show SMILES Cc1nnc2C(CC(=O)N3CC(C3)Oc3ccccc3)C=C(c3ccc(Cl)cc3)c3ccccc3-n12 |t:22|
Show InChI InChI=1S/C29H25ClN4O2/c1-19-31-32-29-21(16-28(35)33-17-24(18-33)36-23-7-3-2-4-8-23)15-26(20-11-13-22(30)14-12-20)25-9-5-6-10-27(25)34(19)29/h2-15,21,24H,16-18H2,1H3
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n/an/a 220n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329786
PNG
(Preparation of 2-[(4R)-6-(4-chlorophenyl)-1-methyl...)
Show SMILES Cc1nnc2[C@H](CC(=O)N3CC4(COC4)C3)C=C(c3ccc(Cl)cc3)c3cc(OC(F)(F)F)ccc3-n12 |r,t:18|
Show InChI InChI=1S/C26H22ClF3N4O3/c1-15-31-32-24-17(9-23(35)33-11-25(12-33)13-36-14-25)8-20(16-2-4-18(27)5-3-16)21-10-19(37-26(28,29)30)6-7-22(21)34(15)24/h2-8,10,17H,9,11-14H2,1H3/t17-/m0/s1
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n/an/a 220n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329743
PNG
(Preparation of ethyl [6-(3-chlorophenyl)-1-methyl-...)
Show SMILES CCOC(=O)CC1C=C(c2cccc(Cl)c2)c2ccccc2-n2c(C)nnc12 |t:7|
Show InChI InChI=1S/C22H20ClN3O2/c1-3-28-21(27)13-16-12-19(15-7-6-8-17(23)11-15)18-9-4-5-10-20(18)26-14(2)24-25-22(16)26/h4-12,16H,3,13H2,1-2H3
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n/an/a 230n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329756
PNG
(Preparation of 2-[6-(4-chlorophenyl)-1-methyl-4H-[...)
Show SMILES Cc1nnc2C(CC(=O)Nc3ccc4NC(=O)Cc4c3)C=C(c3ccc(Cl)cc3)c3ccccc3-n12 |t:22|
Show InChI InChI=1S/C28H22ClN5O2/c1-16-32-33-28-19(15-26(35)30-21-10-11-24-18(12-21)14-27(36)31-24)13-23(17-6-8-20(29)9-7-17)22-4-2-3-5-25(22)34(16)28/h2-13,19H,14-15H2,1H3,(H,30,35)(H,31,36)
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n/an/a 240n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329792
PNG
(Preparation of (4R)-4-({5-[(benzyloxy)methyl]-1,3,...)
Show SMILES Cc1nnc2[C@H](Cc3nnc(COCc4ccccc4)o3)C=C(c3ccc(Cl)cc3)c3ccccc3-n12 |r,t:23|
Show InChI InChI=1S/C29H24ClN5O2/c1-19-31-34-29-22(16-27-32-33-28(37-27)18-36-17-20-7-3-2-4-8-20)15-25(21-11-13-23(30)14-12-21)24-9-5-6-10-26(24)35(19)29/h2-15,22H,16-18H2,1H3/t22-/m0/s1
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n/an/a 270n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329747
PNG
(Preparation of (−)-2-[(4R)-6-(3-chlorophenyl...)
Show SMILES Cc1nnc2[C@@H](CC(=O)N3CC4(COC4)C3)C=C(c3cccc(Cl)c3)c3ccccc3-n12 |r,t:18|
Show InChI InChI=1S/C25H23ClN4O2/c1-16-27-28-24-18(11-23(31)29-12-25(13-29)14-32-15-25)10-21(17-5-4-6-19(26)9-17)20-7-2-3-8-22(20)30(16)24/h2-10,18H,11-15H2,1H3/t18-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329750
PNG
(Preparation of 2-[6-(4-chlorophenyl)-1-methyl-4H-[...)
Show SMILES Cc1nnc2C(CC(=O)N3CCOCC3)C=C(c3ccc(Cl)cc3)c3ccccc3-n12 |t:16|
Show InChI InChI=1S/C24H23ClN4O2/c1-16-26-27-24-18(15-23(30)28-10-12-31-13-11-28)14-21(17-6-8-19(25)9-7-17)20-4-2-3-5-22(20)29(16)24/h2-9,14,18H,10-13,15H2,1H3
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n/an/a 310n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329758
PNG
(Preparation of 3-{[(6-(4-chlorophenyl)-1-methyl-4H...)
Show SMILES Cc1nnc2C(CC(=O)N3C4CCC3CC(=O)C4)C=C(c3ccc(Cl)cc3)c3ccccc3-n12 |t:20|
Show InChI InChI=1S/C27H25ClN4O2/c1-16-29-30-27-18(13-26(34)32-20-10-11-21(32)15-22(33)14-20)12-24(17-6-8-19(28)9-7-17)23-4-2-3-5-25(23)31(16)27/h2-9,12,18,20-21H,10-11,13-15H2,1H3
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n/an/a 340n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329784
PNG
(Preparation of 6-(4-chlorophenyl)-8-(3,5-dimethyl-...)
Show SMILES Cc1nnc(CC2C=C(c3ccc(Cl)cc3)c3cc(ccc3-n3c(C)nnc23)-c2c(C)noc2C)o1 |t:7|
Show InChI InChI=1S/C27H23ClN6O2/c1-14-26(15(2)36-33-14)19-7-10-24-23(11-19)22(18-5-8-21(28)9-6-18)12-20(13-25-31-30-17(4)35-25)27-32-29-16(3)34(24)27/h5-12,20H,13H2,1-4H3
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n/an/a 340n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329744
PNG
(Preparation of tert-butyl [6-(4-chlorophenyl)-1-me...)
Show SMILES Cc1nnc2C(CC(=O)OC(C)(C)C)C=C(c3ccc(Cl)cc3)c3ccccc3-n12 |t:14|
Show InChI InChI=1S/C24H24ClN3O2/c1-15-26-27-23-17(14-22(29)30-24(2,3)4)13-20(16-9-11-18(25)12-10-16)19-7-5-6-8-21(19)28(15)23/h5-13,17H,14H2,1-4H3
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n/an/a 350n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329768
PNG
(Preparation of 2-[6-(4-chlorophenyl)-1-methyl-4H-[...)
Show SMILES Cc1nnc2C(CC(=O)N3CC4CCC(C3)O4)C=C(c3ccc(Cl)cc3)c3ccccc3-n12 |t:19|
Show InChI InChI=1S/C26H25ClN4O2/c1-16-28-29-26-18(13-25(32)30-14-20-10-11-21(15-30)33-20)12-23(17-6-8-19(27)9-7-17)22-4-2-3-5-24(22)31(16)26/h2-9,12,18,20-21H,10-11,13-15H2,1H3
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n/an/a 390n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329769
PNG
(Preparation of (−)-2-[(4R)-6-(4-chlorophenyl...)
Show SMILES Cc1nnc2[C@H](CC(=O)N3CC4CCC(C3)O4)C=C(c3ccc(Cl)cc3)c3ccccc3-n12 |r,t:19|
Show InChI InChI=1S/C26H25ClN4O2/c1-16-28-29-26-18(13-25(32)30-14-20-10-11-21(15-30)33-20)12-23(17-6-8-19(27)9-7-17)22-4-2-3-5-24(22)31(16)26/h2-9,12,18,20-21H,10-11,13-15H2,1H3/t18-,20?,21?/m0/s1
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n/an/a 450n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329759
PNG
(Preparation of (−)-3-{[(4R)-6-(4-chloropheny...)
Show SMILES Cc1nnc2[C@H](CC(=O)N3C4CCC3CC(=O)C4)C=C(c3ccc(Cl)cc3)c3ccccc3-n12 |r,t:20|
Show InChI InChI=1S/C27H25ClN4O2/c1-16-29-30-27-18(13-26(34)32-20-10-11-21(32)15-22(33)14-20)12-24(17-6-8-19(28)9-7-17)23-4-2-3-5-25(23)31(16)27/h2-9,12,18,20-21H,10-11,13-15H2,1H3/t18-,20?,21?/m0/s1
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n/an/a 450n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329742
PNG
(Preparation of (−)-1 (7-azabicyclo[2.2.1]hep...)
Show SMILES Cc1nnc2[C@@H](CC(=O)N3C4CCC3CC4)C=C(c3ccc(Cl)cc3)c3ccccc3-n12 |r,t:18|
Show InChI InChI=1S/C26H25ClN4O/c1-16-28-29-26-18(15-25(32)31-20-10-11-21(31)13-12-20)14-23(17-6-8-19(27)9-7-17)22-4-2-3-5-24(22)30(16)26/h2-9,14,18,20-21H,10-13,15H2,1H3/t18-,20?,21?/m1/s1
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n/an/a 600n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329746
PNG
(Preparation of 2-[6-(3-chlorophenyl)-1-methyl-4H-[...)
Show SMILES Cc1nnc2C(CC(=O)N3CC4(COC4)C3)C=C(c3cccc(Cl)c3)c3ccccc3-n12 |t:18|
Show InChI InChI=1S/C25H23ClN4O2/c1-16-27-28-24-18(11-23(31)29-12-25(13-29)14-32-15-25)10-21(17-5-4-6-19(26)9-17)20-7-2-3-8-22(20)30(16)24/h2-10,18H,11-15H2,1H3
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n/an/a 730n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329785
PNG
(Preparation of tert-butyl (−)-[(4R)-6-(4-chl...)
Show SMILES Cc1nnc2[C@@H](CC(=O)OC(C)(C)C)C=C(c3ccc(Cl)cc3)c3cc(OC(F)(F)F)ccc3-n12 |r,t:14|
Show InChI InChI=1S/C25H23ClF3N3O3/c1-14-30-31-23-16(12-22(33)35-24(2,3)4)11-19(15-5-7-17(26)8-6-15)20-13-18(34-25(27,28)29)9-10-21(20)32(14)23/h5-11,13,16H,12H2,1-4H3/t16-/m1/s1
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n/an/a 790n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329764
PNG
(Preparation of 1-(8-azaspiro[4.5]dec-8-yl)-2-[6-(4...)
Show SMILES Cc1nnc2C(CC(=O)N3CCC4(CCCC4)CC3)C=C(c3ccc(Cl)cc3)c3ccccc3-n12 |t:21|
Show InChI InChI=1S/C29H31ClN4O/c1-20-31-32-28-22(19-27(35)33-16-14-29(15-17-33)12-4-5-13-29)18-25(21-8-10-23(30)11-9-21)24-6-2-3-7-26(24)34(20)28/h2-3,6-11,18,22H,4-5,12-17,19H2,1H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329741
PNG
(Preparation of 1-(7-azabicyclo[2.2.1]hept-7-yl)-2-...)
Show SMILES Cc1nnc2C(CC(=O)N3C4CCC3CC4)C=C(c3ccc(Cl)cc3)c3ccccc3-n12 |t:18|
Show InChI InChI=1S/C26H25ClN4O/c1-16-28-29-26-18(15-25(32)31-20-10-11-21(31)13-12-20)14-23(17-6-8-19(27)9-7-17)22-4-2-3-5-24(22)30(16)26/h2-9,14,18,20-21H,10-13,15H2,1H3
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329761
PNG
(Preparation of (−)-2-[(4R)-6-(4-chlorophenyl...)
Show SMILES Cc1nnc2[C@H](CC(=O)N3CC(C3)Oc3ccccc3)C=C(c3ccc(Cl)cc3)c3ccccc3-n12 |r,t:22|
Show InChI InChI=1S/C29H25ClN4O2/c1-19-31-32-29-21(16-28(35)33-17-24(18-33)36-23-7-3-2-4-8-23)15-26(20-11-13-22(30)14-12-20)25-9-5-6-10-27(25)34(19)29/h2-15,21,24H,16-18H2,1H3/t21-/m0/s1
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM329765
PNG
(Preparation of (−)-1-(8-azaspiro[4.5]dec-8-y...)
Show SMILES Cc1nnc2[C@H](CC(=O)N3CCC4(CCCC4)CC3)C=C(c3ccc(Cl)cc3)c3ccccc3-n12 |r,t:21|
Show InChI InChI=1S/C29H31ClN4O/c1-20-31-32-28-22(19-27(35)33-16-14-29(15-17-33)12-4-5-13-29)18-25(21-8-10-23(30)11-9-21)24-6-2-3-7-26(24)34(20)28/h2-3,6-11,18,22H,4-5,12-17,19H2,1H3/t22-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...


US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%