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Patent code US9296748

Compile Data Set for Download or QSAR
Found 113 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 [44-168]


(Homo sapiens (Human))		BDBM215738
PNG
(US9296748, II-25)
Show SMILES C[C@@H](c1ccccc1)n1c(nc2cnc(cc12)C1CCOCC1)-c1cc(C)c(=O)n(C)n1 |r|
Show InChI InChI=1S/C25H27N5O2/c1-16-13-21(28-29(3)25(16)31)24-27-22-15-26-20(19-9-11-32-12-10-19)14-23(22)30(24)17(2)18-7-5-4-6-8-18/h4-8,13-15,17,19H,9-12H2,1-3H3/t17-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215718
PNG
(US9296748, II-5)
Show SMILES CN1CCN(CC1)c1cc2n(Cc3ccccc3)c(nc2cn1)-c1cc(C)c(=O)n(C)n1
Show InChI InChI=1S/C24H27N7O/c1-17-13-19(27-29(3)24(17)32)23-26-20-15-25-22(30-11-9-28(2)10-12-30)14-21(20)31(23)16-18-7-5-4-6-8-18/h4-8,13-15H,9-12,16H2,1-3H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215779
PNG
(US9296748, IV-11)
Show SMILES C[C@@H](c1ccccc1)n1c(nc2cnc(nc12)N1CCOC[C@@H]1C)-c1cc(C)c(=O)n(C)c1 |r|
Show InChI InChI=1S/C25H28N6O2/c1-16-12-20(14-29(4)24(16)32)22-27-21-13-26-25(30-10-11-33-15-17(30)2)28-23(21)31(22)18(3)19-8-6-5-7-9-19/h5-9,12-14,17-18H,10-11,15H2,1-4H3/t17-,18-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215675
PNG
(US9296748, I-11)
Show SMILES CN1CCN(CC1)c1ccc2nc(-c3cc(C)c(=O)n(C)n3)n(Cc3ccccc3)c2c1
Show InChI InChI=1S/C25H28N6O/c1-18-15-22(27-29(3)25(18)32)24-26-21-10-9-20(30-13-11-28(2)12-14-30)16-23(21)31(24)17-19-7-5-4-6-8-19/h4-10,15-16H,11-14,17H2,1-3H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215665
PNG
(US9296748, I-1)
Show SMILES CN1CCN(CC1)c1ccc2nc(-c3cc(C)c(=O)n(C)c3)n(Cc3ccccc3)c2c1
Show InChI InChI=1S/C26H29N5O/c1-19-15-21(18-29(3)26(19)32)25-27-23-10-9-22(30-13-11-28(2)12-14-30)16-24(23)31(25)17-20-7-5-4-6-8-20/h4-10,15-16,18H,11-14,17H2,1-3H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215775
PNG
(US9296748, IV-7)
Show SMILES Cc1cc(cn(C)c1=O)-c1nc2cc(cnc2n1Cc1ccccc1)C1CCOCC1
Show InChI InChI=1S/C25H26N4O2/c1-17-12-21(16-28(2)25(17)30)23-27-22-13-20(19-8-10-31-11-9-19)14-26-24(22)29(23)15-18-6-4-3-5-7-18/h3-7,12-14,16,19H,8-11,15H2,1-2H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215739
PNG
(US9296748, II-26)
Show SMILES C[C@@H](c1ccccc1)n1c(nc2cnc(cc12)C1CCOCC1)-c1cc(C)c(=O)n(C)c1 |r|
Show InChI InChI=1S/C26H28N4O2/c1-17-13-21(16-29(3)26(17)31)25-28-23-15-27-22(20-9-11-32-12-10-20)14-24(23)30(25)18(2)19-7-5-4-6-8-19/h4-8,13-16,18,20H,9-12H2,1-3H3/t18-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215783
PNG
(US9296748, IV-15)
Show SMILES C[C@@H](c1ccccc1)n1c(nc2cnc(nc12)N1CCOCC1)-c1cc(C)c(=O)n(C)c1 |r|
Show InChI InChI=1S/C24H26N6O2/c1-16-13-19(15-28(3)23(16)31)21-26-20-14-25-24(29-9-11-32-12-10-29)27-22(20)30(21)17(2)18-7-5-4-6-8-18/h4-8,13-15,17H,9-12H2,1-3H3/t17-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215716
PNG
(US9296748, II-3)
Show SMILES Cc1cc(cn(C)c1=O)-c1nc2cnc(cc2n1Cc1ccccc1)N1CCOCC1
Show InChI InChI=1S/C24H25N5O2/c1-17-12-19(16-27(2)24(17)30)23-26-20-14-25-22(28-8-10-31-11-9-28)13-21(20)29(23)15-18-6-4-3-5-7-18/h3-7,12-14,16H,8-11,15H2,1-2H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215676
PNG
(US9296748, I-12)
Show SMILES Cc1cc(cn(C)c1=O)-c1nc2ccc(F)cc2n1Cc1ccccc1
Show InChI InChI=1S/C21H18FN3O/c1-14-10-16(13-24(2)21(14)26)20-23-18-9-8-17(22)11-19(18)25(20)12-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215670
PNG
(US9296748, I-6)
Show SMILES Cc1cc(cn(C)c1=O)-c1nc2ccc(cc2n1Cc1ccccc1)N1CCOCC1
Show InChI InChI=1S/C25H26N4O2/c1-18-14-20(17-27(2)25(18)30)24-26-22-9-8-21(28-10-12-31-13-11-28)15-23(22)29(24)16-19-6-4-3-5-7-19/h3-9,14-15,17H,10-13,16H2,1-2H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215714
PNG
(US9296748, II-1)
Show SMILES CN1CCN(CC1)c1cc2n(Cc3ccccc3)c(nc2cn1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C25H28N6O/c1-18-13-20(17-29(3)25(18)32)24-27-21-15-26-23(30-11-9-28(2)10-12-30)14-22(21)31(24)16-19-7-5-4-6-8-19/h4-8,13-15,17H,9-12,16H2,1-3H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215774
PNG
(US9296748, IV-6)
Show SMILES CN1CCN(CC1)c1cnc2n(Cc3ccccc3)c(nc2c1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C25H28N6O/c1-18-13-20(17-29(3)25(18)32)23-27-22-14-21(30-11-9-28(2)10-12-30)15-26-24(22)31(23)16-19-7-5-4-6-8-19/h4-8,13-15,17H,9-12,16H2,1-3H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215699
PNG
(US9296748, I-35)
Show SMILES C[C@@H](c1ccccc1)n1c(nc2ccc(cc12)C1CCN(C)C(=O)C1)-c1cc(C)c(=O)n(C)c1 |r|
Show InChI InChI=1S/C28H30N4O2/c1-18-14-23(17-31(4)28(18)34)27-29-24-11-10-21(22-12-13-30(3)26(33)16-22)15-25(24)32(27)19(2)20-8-6-5-7-9-20/h5-11,14-15,17,19,22H,12-13,16H2,1-4H3/t19-,22?/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215732
PNG
(US9296748, II-19)
Show SMILES C[C@@H](c1ccccc1)n1c(nc2cnc(cc12)N1CCOCC1)-c1cc(C)c(=O)n(C)c1 |r|
Show InChI InChI=1S/C25H27N5O2/c1-17-13-20(16-28(3)25(17)31)24-27-21-15-26-23(29-9-11-32-12-10-29)14-22(21)30(24)18(2)19-7-5-4-6-8-19/h4-8,13-16,18H,9-12H2,1-3H3/t18-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215722
PNG
(US9296748, II-9)
Show SMILES CN(C)c1cc2n(Cc3ccccc3)c(nc2cn1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C22H23N5O/c1-15-10-17(14-26(4)22(15)28)21-24-18-12-23-20(25(2)3)11-19(18)27(21)13-16-8-6-5-7-9-16/h5-12,14H,13H2,1-4H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215702
PNG
(US9296748, I-38)
Show SMILES C[C@@H](c1ccccc1)n1c(nc2ccc(cc12)C1CCN(C)C(=O)C1)-c1cc(C)c(=O)n(C)n1 |r|
Show InChI InChI=1S/C27H29N5O2/c1-17-14-23(29-31(4)27(17)34)26-28-22-11-10-20(21-12-13-30(3)25(33)16-21)15-24(22)32(26)18(2)19-8-6-5-7-9-19/h5-11,14-15,18,21H,12-13,16H2,1-4H3/t18-,21?/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215773
PNG
(US9296748, IV-5)
Show SMILES Cc1cc(cn(C)c1=O)-c1nc2cc(cnc2n1Cc1ccccc1)N1CCOCC1
Show InChI InChI=1S/C24H25N5O2/c1-17-12-19(16-27(2)24(17)30)22-26-21-13-20(28-8-10-31-11-9-28)14-25-23(21)29(22)15-18-6-4-3-5-7-18/h3-7,12-14,16H,8-11,15H2,1-2H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215733
PNG
(US9296748, II-20)
Show SMILES Cc1cc(cn(C)c1=O)-c1nc2cnc(cc2n1Cc1cccnc1)N1CCOCC1
Show InChI InChI=1S/C23H24N6O2/c1-16-10-18(15-27(2)23(16)30)22-26-19-13-25-21(28-6-8-31-9-7-28)11-20(19)29(22)14-17-4-3-5-24-12-17/h3-5,10-13,15H,6-9,14H2,1-2H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215736
PNG
(US9296748, II-23)
Show SMILES Cc1cc(cn(C)c1=O)-c1nc2cnccc2n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C20H17ClN4O/c1-13-9-15(12-24(2)20(13)26)19-23-17-10-22-8-7-18(17)25(19)11-14-3-5-16(21)6-4-14/h3-10,12H,11H2,1-2H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215735
PNG
(US9296748, II-22)
Show SMILES CC(c1ccccn1)n1c(nc2cnc(cc12)N1CCN(C)CC1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C25H29N7O/c1-17-13-19(16-30(4)25(17)33)24-28-21-15-27-23(31-11-9-29(3)10-12-31)14-22(21)32(24)18(2)20-7-5-6-8-26-20/h5-8,13-16,18H,9-12H2,1-4H3
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n/an/a 34n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215755
PNG
(US9296748, II-42)
Show SMILES C[C@@H](c1ccccc1)n1c(nc2cnc(N)cc12)-c1cc(C)c(=O)n(C)c1 |r|
Show InChI InChI=1S/C21H21N5O/c1-13-9-16(12-25(3)21(13)27)20-24-17-11-23-19(22)10-18(17)26(20)14(2)15-7-5-4-6-8-15/h4-12,14H,1-3H3,(H2,22,23)/t14-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215678
PNG
(US9296748, I-14)
Show SMILES CN1CCN(CC1)c1ccc2nc(-c3cn(C)c(=O)c(C)n3)n(Cc3ccccc3)c2c1
Show InChI InChI=1S/C25H28N6O/c1-18-25(32)29(3)17-22(26-18)24-27-21-10-9-20(30-13-11-28(2)12-14-30)15-23(21)31(24)16-19-7-5-4-6-8-19/h4-10,15,17H,11-14,16H2,1-3H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215780
PNG
(US9296748, IV-12)
Show SMILES Cc1cc(cn(C)c1=O)-c1nc2cc(N)cnc2n1Cc1ccccc1
Show InChI InChI=1S/C20H19N5O/c1-13-8-15(12-24(2)20(13)26)18-23-17-9-16(21)10-22-19(17)25(18)11-14-6-4-3-5-7-14/h3-10,12H,11,21H2,1-2H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215737
PNG
(US9296748, II-24)
Show SMILES CC(C)c1cc2n([C@@H](C)c3ccccc3)c(nc2cn1)-c1cc(C)c(=O)n(C)c1 |r|
Show InChI InChI=1S/C24H26N4O/c1-15(2)20-12-22-21(13-25-20)26-23(19-11-16(3)24(29)27(5)14-19)28(22)17(4)18-9-7-6-8-10-18/h6-15,17H,1-5H3/t17-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215744
PNG
(US9296748, II-31)
Show SMILES C[C@@H](c1ccccc1)n1c(nc2cnc(cc12)N1CCOC[C@@H]1C)-c1cc(C)c(=O)n(C)c1 |r|
Show InChI InChI=1S/C26H29N5O2/c1-17-12-21(15-29(4)26(17)32)25-28-22-14-27-24(30-10-11-33-16-18(30)2)13-23(22)31(25)19(3)20-8-6-5-7-9-20/h5-9,12-15,18-19H,10-11,16H2,1-4H3/t18-,19-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215728
PNG
(US9296748, II-15)
Show SMILES C[C@H]1COCCN1c1cc2n(Cc3ccccc3)c(nc2cn1)-c1cc(C)c(=O)n(C)c1 |r|
Show InChI InChI=1S/C25H27N5O2/c1-17-11-20(15-28(3)25(17)31)24-27-21-13-26-23(29-9-10-32-16-18(29)2)12-22(21)30(24)14-19-7-5-4-6-8-19/h4-8,11-13,15,18H,9-10,14,16H2,1-3H3/t18-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215734
PNG
(US9296748, II-21)
Show SMILES CC(c1cccnc1)n1c(nc2cnc(OCC3CC3)cc12)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C24H25N5O2/c1-15-9-19(13-28(3)24(15)30)23-27-20-12-26-22(31-14-17-6-7-17)10-21(20)29(23)16(2)18-5-4-8-25-11-18/h4-5,8-13,16-17H,6-7,14H2,1-3H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215686
PNG
(US9296748, I-22)
Show SMILES COc1ccc2nc(-c3cc(C)c(=O)n(C)c3)n(Cc3ccccc3)c2c1
Show InChI InChI=1S/C22H21N3O2/c1-15-11-17(14-24(2)22(15)26)21-23-19-10-9-18(27-3)12-20(19)25(21)13-16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215723
PNG
(US9296748, II-10)
Show SMILES CN1CCN(CC1)c1cc2n(Cc3ccccc3)c(nc2cn1)-c1cn(C)c(=O)c(C)n1
Show InChI InChI=1S/C24H27N7O/c1-17-24(32)29(3)16-20(26-17)23-27-19-14-25-22(30-11-9-28(2)10-12-30)13-21(19)31(23)15-18-7-5-4-6-8-18/h4-8,13-14,16H,9-12,15H2,1-3H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215762
PNG
(US9296748, III-3)
Show SMILES Cc1cc(cn(C)c1=O)-c1nc2cccnc2n1Cc1ccccc1
Show InChI InChI=1S/C20H18N4O/c1-14-11-16(13-23(2)20(14)25)18-22-17-9-6-10-21-19(17)24(18)12-15-7-4-3-5-8-15/h3-11,13H,12H2,1-2H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215697
PNG
(US9296748, I-33)
Show SMILES C[C@@H](c1ccccc1)n1c(nc2ccc(cc12)C1CN(C)CCO1)-c1cc(C)c(=O)n(C)n1 |r|
Show InChI InChI=1S/C26H29N5O2/c1-17-14-22(28-30(4)26(17)32)25-27-21-11-10-20(24-16-29(3)12-13-33-24)15-23(21)31(25)18(2)19-8-6-5-7-9-19/h5-11,14-15,18,24H,12-13,16H2,1-4H3/t18-,24?/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215674
PNG
(US9296748, I-10)
Show SMILES CCn1cc(cc(C)c1=O)-c1nc2ccc(cc2n1Cc1ccccc1)N1CCN(C)CC1
Show InChI InChI=1S/C27H31N5O/c1-4-30-19-22(16-20(2)27(30)33)26-28-24-11-10-23(31-14-12-29(3)13-15-31)17-25(24)32(26)18-21-8-6-5-7-9-21/h5-11,16-17,19H,4,12-15,18H2,1-3H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215725
PNG
(US9296748, II-12)
Show SMILES Cc1nc(cn(C)c1=O)-c1nc2cnc(cc2n1Cc1ccccc1)N1CCOCC1
Show InChI InChI=1S/C23H24N6O2/c1-16-23(30)27(2)15-19(25-16)22-26-18-13-24-21(28-8-10-31-11-9-28)12-20(18)29(22)14-17-6-4-3-5-7-17/h3-7,12-13,15H,8-11,14H2,1-2H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215698
PNG
(US9296748, I-34 | US9296748, I-39)
Show SMILES C[C@@H](c1ccccc1)n1c(nc2ccc(cc12)C1CN(C)CCO1)-c1cc(C)c(=O)n(C)c1 |r|
Show InChI InChI=1S/C27H30N4O2/c1-18-14-22(16-30(4)27(18)32)26-28-23-11-10-21(25-17-29(3)12-13-33-25)15-24(23)31(26)19(2)20-8-6-5-7-9-20/h5-11,14-16,19,25H,12-13,17H2,1-4H3/t19-,25?/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215756
PNG
(US9296748, II-43)
Show SMILES CC(CC1CC1)n1c(nc2cnc(cc12)N1CCOC[C@@H]1C)-c1cc(C)c(=O)n(C)c1 |r|
Show InChI InChI=1S/C24H31N5O2/c1-15-9-19(13-27(4)24(15)30)23-26-20-12-25-22(28-7-8-31-14-17(28)3)11-21(20)29(23)16(2)10-18-5-6-18/h9,11-13,16-18H,5-8,10,14H2,1-4H3/t16?,17-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215782
PNG
(US9296748, IV-14)
Show SMILES Cc1cc(cn(C)c1=O)-c1nc2cnc(nc2n1Cc1ccccc1)N1CCOCC1
Show InChI InChI=1S/C23H24N6O2/c1-16-12-18(15-27(2)22(16)30)20-25-19-13-24-23(28-8-10-31-11-9-28)26-21(19)29(20)14-17-6-4-3-5-7-17/h3-7,12-13,15H,8-11,14H2,1-2H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215715
PNG
(US9296748, II-2)
Show SMILES Cc1cc(cn(C)c1=O)-c1nc2cnc(cc2n1Cc1ccccn1)N1CCOCC1
Show InChI InChI=1S/C23H24N6O2/c1-16-11-17(14-27(2)23(16)30)22-26-19-13-25-21(28-7-9-31-10-8-28)12-20(19)29(22)15-18-5-3-4-6-24-18/h3-6,11-14H,7-10,15H2,1-2H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215717
PNG
(US9296748, II-4)
Show SMILES CCn1cc(cc(C)c1=O)-c1nc2cnc(cc2n1Cc1ccccc1)N1CCN(C)CC1
Show InChI InChI=1S/C26H30N6O/c1-4-30-18-21(14-19(2)26(30)33)25-28-22-16-27-24(31-12-10-29(3)11-13-31)15-23(22)32(25)17-20-8-6-5-7-9-20/h5-9,14-16,18H,4,10-13,17H2,1-3H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215673
PNG
(US9296748, I-9)
Show SMILES Cc1cc(cn(C)c1=O)-c1nc2ccc(N)cc2n1Cc1ccccc1
Show InChI InChI=1S/C21H20N4O/c1-14-10-16(13-24(2)21(14)26)20-23-18-9-8-17(22)11-19(18)25(20)12-15-6-4-3-5-7-15/h3-11,13H,12,22H2,1-2H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215772
PNG
(US9296748, IV-4)
Show SMILES Cc1cc(cn(C)c1=O)-c1nc2ccncc2n1Cc1ccccc1
Show InChI InChI=1S/C20H18N4O/c1-14-10-16(13-23(2)20(14)25)19-22-17-8-9-21-11-18(17)24(19)12-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3
PDB

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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215743
PNG
(US9296748, II-30)
Show SMILES COC[C@H](C)n1c(nc2cnc(cc12)N1CCOC[C@@H]1C)-c1cc(C)c(=O)n(C)n1 |r|
Show InChI InChI=1S/C21H28N6O3/c1-13-8-16(24-25(4)21(13)28)20-23-17-10-22-19(26-6-7-30-12-14(26)2)9-18(17)27(20)15(3)11-29-5/h8-10,14-15H,6-7,11-12H2,1-5H3/t14-,15-/m0/s1
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n/an/a 62n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215694
PNG
(US9296748, I-30)
Show SMILES Cc1cc(cn(C)c1=O)-c1nc2ccc(cc2n1Cc1ccccn1)C1(CC1)C(F)(F)F
Show InChI InChI=1S/C24H21F3N4O/c1-15-11-16(13-30(2)22(15)32)21-29-19-7-6-17(23(8-9-23)24(25,26)27)12-20(19)31(21)14-18-5-3-4-10-28-18/h3-7,10-13H,8-9,14H2,1-2H3
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n/an/a 63n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215727
PNG
(US9296748, II-14)
Show SMILES Cc1cc(cn(C)c1=O)-c1nc2cnc(cc2n1Cc1ccncc1)N1CCOCC1
Show InChI InChI=1S/C23H24N6O2/c1-16-11-18(15-27(2)23(16)30)22-26-19-13-25-21(28-7-9-31-10-8-28)12-20(19)29(22)14-17-3-5-24-6-4-17/h3-6,11-13,15H,7-10,14H2,1-2H3
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n/an/a 63n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215700
PNG
(US9296748, I-36)
Show SMILES COC[C@H](C)n1c(nc2ccc(cc12)N1CCOC[C@@H]1C)-c1cc(C)c(=O)n(C)n1 |r|
Show InChI InChI=1S/C22H29N5O3/c1-14-10-19(24-25(4)22(14)28)21-23-18-7-6-17(26-8-9-30-13-15(26)2)11-20(18)27(21)16(3)12-29-5/h6-7,10-11,15-16H,8-9,12-13H2,1-5H3/t15-,16-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215729
PNG
(US9296748, II-16)
Show SMILES Cc1cc(cn(C)c1=O)-c1nc2cnc(N)cc2n1Cc1ccccc1
Show InChI InChI=1S/C20H19N5O/c1-13-8-15(12-24(2)20(13)26)19-23-16-10-22-18(21)9-17(16)25(19)11-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H2,21,22)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215677
PNG
(US9296748, I-13)
Show SMILES Cc1cc(cn(C)c1=O)-c1nc2ccccc2n1Cc1ccccc1
Show InChI InChI=1S/C21H19N3O/c1-15-12-17(14-23(2)21(15)25)20-22-18-10-6-7-11-19(18)24(20)13-16-8-4-3-5-9-16/h3-12,14H,13H2,1-2H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215776
PNG
(US9296748, IV-8)
Show SMILES Cc1cnc2n(Cc3ccccc3)c(nc2c1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C21H20N4O/c1-14-9-18-20(22-11-14)25(12-16-7-5-4-6-8-16)19(23-18)17-10-15(2)21(26)24(3)13-17/h4-11,13H,12H2,1-3H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215689
PNG
(US9296748, I-25)
Show SMILES Cc1cc(cn(C)c1=O)-c1nc2ccc(cc2n1Cc1ccccn1)C1CCOCC1
Show InChI InChI=1S/C25H26N4O2/c1-17-13-20(15-28(2)25(17)30)24-27-22-7-6-19(18-8-11-31-12-9-18)14-23(22)29(24)16-21-5-3-4-10-26-21/h3-7,10,13-15,18H,8-9,11-12,16H2,1-2H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215789
PNG
(US9296748, V-3)
Show SMILES CN1CCN(CC1)c1ccc2nc(-c3cc(N)c(=O)n(C)c3)n(Cc3ccccc3)c2c1
Show InChI InChI=1S/C25H28N6O/c1-28-10-12-30(13-11-28)20-8-9-22-23(15-20)31(16-18-6-4-3-5-7-18)24(27-22)19-14-21(26)25(32)29(2)17-19/h3-9,14-15,17H,10-13,16,26H2,1-2H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215695
PNG
(US9296748, I-31)
Show SMILES COC[C@H](C)n1c(nc2ccc(cc12)N1CCOC[C@@H]1C)-c1cc(C)c(=O)n(C)c1 |r|
Show InChI InChI=1S/C23H30N4O3/c1-15-10-18(12-25(4)23(15)28)22-24-20-7-6-19(26-8-9-30-14-16(26)2)11-21(20)27(22)17(3)13-29-5/h6-7,10-12,16-17H,8-9,13-14H2,1-5H3/t16-,17-/m0/s1
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n/an/a 75n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215671
PNG
(US9296748, I-7)
Show SMILES CN1CCN(CC1)c1ccc2nc(-c3c[nH]c(=O)c(C)c3)n(Cc3ccccc3)c2c1
Show InChI InChI=1S/C25H27N5O/c1-18-14-20(16-26-25(18)31)24-27-22-9-8-21(29-12-10-28(2)11-13-29)15-23(22)30(24)17-19-6-4-3-5-7-19/h3-9,14-16H,10-13,17H2,1-2H3,(H,26,31)
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n/an/a 95n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215758
PNG
(US9296748, II-45)
Show SMILES C[C@H](c1ccccc1)n1c(nc2cnc(cc12)C1CCOCC1)-c1cc(C)c(=O)n(C)c1 |r|
Show InChI InChI=1S/C26H28N4O2/c1-17-13-21(16-29(3)26(17)31)25-28-23-15-27-22(20-9-11-32-12-10-20)14-24(23)30(25)18(2)19-7-5-4-6-8-19/h4-8,13-16,18,20H,9-12H2,1-3H3/t18-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215690
PNG
(US9296748, I-26)
Show SMILES COC[C@H](C)n1c(nc2ccc(cc12)C1CCOCC1)-c1cc(C)c(=O)n(C)c1 |r|
Show InChI InChI=1S/C23H29N3O3/c1-15-11-19(13-25(3)23(15)27)22-24-20-6-5-18(17-7-9-29-10-8-17)12-21(20)26(22)16(2)14-28-4/h5-6,11-13,16-17H,7-10,14H2,1-4H3/t16-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215726
PNG
(US9296748, II-13)
Show SMILES Cc1cc(cn(C)c1=O)-c1nc2cnc(cc2n1Cc1ccccc1)-n1ccnc1
Show InChI InChI=1S/C23H20N6O/c1-16-10-18(14-27(2)23(16)30)22-26-19-12-25-21(28-9-8-24-15-28)11-20(19)29(22)13-17-6-4-3-5-7-17/h3-12,14-15H,13H2,1-2H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215724
PNG
(US9296748, II-11)
Show SMILES COC[C@H](C)n1c(nc2cnc(cc12)N1CCOC[C@@H]1C)-c1cc(C)c(=O)n(C)c1 |r|
Show InChI InChI=1S/C22H29N5O3/c1-14-8-17(11-25(4)22(14)28)21-24-18-10-23-20(26-6-7-30-13-15(26)2)9-19(18)27(21)16(3)12-29-5/h8-11,15-16H,6-7,12-13H2,1-5H3/t15-,16-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215701
PNG
(US9296748, I-37)
Show SMILES C[C@@H](c1ccccc1)n1c(nc2ccc(cc12)C1(CC1)C(F)(F)F)-c1cc(C)c(=O)n(C)c1 |r|
Show InChI InChI=1S/C26H24F3N3O/c1-16-13-19(15-31(3)24(16)33)23-30-21-10-9-20(25(11-12-25)26(27,28)29)14-22(21)32(23)17(2)18-7-5-4-6-8-18/h4-10,13-15,17H,11-12H2,1-3H3/t17-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215691
PNG
(US9296748, I-27)
Show SMILES C[C@@H](c1ccccn1)n1c(nc2ccc(cc12)C1CCOCC1)-c1cc(C)c(=O)n(C)c1 |r|
Show InChI InChI=1S/C26H28N4O2/c1-17-14-21(16-29(3)26(17)31)25-28-23-8-7-20(19-9-12-32-13-10-19)15-24(23)30(25)18(2)22-6-4-5-11-27-22/h4-8,11,14-16,18-19H,9-10,12-13H2,1-3H3/t18-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215745
PNG
(US9296748, II-32)
Show SMILES Cn1cc(cc(Cl)c1=O)-c1nc2cnc(cc2n1Cc1ccccc1)N1CCOCC1
Show InChI InChI=1S/C23H22ClN5O2/c1-27-15-17(11-18(24)23(27)30)22-26-19-13-25-21(28-7-9-31-10-8-28)12-20(19)29(22)14-16-5-3-2-4-6-16/h2-6,11-13,15H,7-10,14H2,1H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215765
PNG
(US9296748, III-6)
Show SMILES CCCOc1ccc2nc(-c3cc(C)c(=O)n(C)c3)n([C@@H](C)c3ccccc3)c2n1 |r|
Show InChI InChI=1S/C24H26N4O2/c1-5-13-30-21-12-11-20-23(26-21)28(17(3)18-9-7-6-8-10-18)22(25-20)19-14-16(2)24(29)27(4)15-19/h6-12,14-15,17H,5,13H2,1-4H3/t17-/m0/s1
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n/an/a 108n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215667
PNG
(US9296748, I-3)
Show SMILES Cc1cc(c[nH]c1=O)-c1nc2ccc(cc2n1Cc1ccccc1)N1CCOCC1
Show InChI InChI=1S/C24H24N4O2/c1-17-13-19(15-25-24(17)29)23-26-21-8-7-20(27-9-11-30-12-10-27)14-22(21)28(23)16-18-5-3-2-4-6-18/h2-8,13-15H,9-12,16H2,1H3,(H,25,29)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215778
PNG
(US9296748, IV-10)
Show SMILES Cc1cccc2nc(-c3cc(C)c(=O)n(C)c3)n(Cc3ccccn3)c12
Show InChI InChI=1S/C21H20N4O/c1-14-7-6-9-18-19(14)25(13-17-8-4-5-10-22-17)20(23-18)16-11-15(2)21(26)24(3)12-16/h4-12H,13H2,1-3H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215764
PNG
(US9296748, III-5)
Show SMILES CC(C)Oc1ccc2nc(-c3cc(C)c(=O)n(C)n3)n([C@@H](C)c3ccccc3)c2n1 |r|
Show InChI InChI=1S/C23H25N5O2/c1-14(2)30-20-12-11-18-21(25-20)28(16(4)17-9-7-6-8-10-17)22(24-18)19-13-15(3)23(29)27(5)26-19/h6-14,16H,1-5H3/t16-/m0/s1
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n/an/a 117n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215763
PNG
(US9296748, III-4)
Show SMILES CC(C)Oc1ccc2nc(-c3cc(C)c(=O)n(C)n3)n([C@@H](C)c3ccccn3)c2n1 |r|
Show InChI InChI=1S/C22H24N6O2/c1-13(2)30-19-10-9-17-20(25-19)28(15(4)16-8-6-7-11-23-16)21(24-17)18-12-14(3)22(29)27(5)26-18/h6-13,15H,1-5H3/t15-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215777
PNG
(US9296748, IV-9)
Show SMILES CN(C)S(=O)(=O)c1cnc2n(Cc3ccccc3)c(nc2c1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C22H23N5O3S/c1-15-10-17(14-26(4)22(15)28)20-24-19-11-18(31(29,30)25(2)3)12-23-21(19)27(20)13-16-8-6-5-7-9-16/h5-12,14H,13H2,1-4H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215747
PNG
(US9296748, II-34)
Show SMILES C[C@@H](c1ccccn1)n1c(nc2cnc(cc12)C1CCOCC1)-c1cc(C)c(=O)n(C)c1 |r|
Show InChI InChI=1S/C25H27N5O2/c1-16-12-19(15-29(3)25(16)31)24-28-22-14-27-21(18-7-10-32-11-8-18)13-23(22)30(24)17(2)20-6-4-5-9-26-20/h4-6,9,12-15,17-18H,7-8,10-11H2,1-3H3/t17-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215684
PNG
(US9296748, I-20)
Show SMILES CN1CCN(CC1)c1ccc2nc(-c3cn(C)c(=O)cn3)n(Cc3ccccc3)c2c1
Show InChI InChI=1S/C24H26N6O/c1-27-10-12-29(13-11-27)19-8-9-20-22(14-19)30(16-18-6-4-3-5-7-18)24(26-20)21-17-28(2)23(31)15-25-21/h3-9,14-15,17H,10-13,16H2,1-2H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215688
PNG
(US9296748, I-24)
Show SMILES CN(C)C(=O)c1ccc2nc(-c3cc(C)c(=O)n(C)c3)n(Cc3ccccc3)c2c1
Show InChI InChI=1S/C24H24N4O2/c1-16-12-19(15-27(4)23(16)29)22-25-20-11-10-18(24(30)26(2)3)13-21(20)28(22)14-17-8-6-5-7-9-17/h5-13,15H,14H2,1-4H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215741
PNG
(US9296748, II-28)
Show SMILES Cc1cc(cn(C)c1=O)-c1nc2cnccc2n1Cc1ccccc1F
Show InChI InChI=1S/C20H17FN4O/c1-13-9-15(11-24(2)20(13)26)19-23-17-10-22-8-7-18(17)25(19)12-14-5-3-4-6-16(14)21/h3-11H,12H2,1-2H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215742
PNG
(US9296748, II-29)
Show SMILES C[C@@H](c1ccccn1)n1c(nc2cnc(cc12)N1CCOC[C@@H]1C)-c1cc(C)c(=O)n(C)c1 |r|
Show InChI InChI=1S/C25H28N6O2/c1-16-11-19(14-29(4)25(16)32)24-28-21-13-27-23(30-9-10-33-15-17(30)2)12-22(21)31(24)18(3)20-7-5-6-8-26-20/h5-8,11-14,17-18H,9-10,15H2,1-4H3/t17-,18-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215790
PNG
(US9296748, V-4)
Show SMILES Cn1cc(cc(N)c1=O)-c1nc2ccc(cc2n1Cc1ccccc1)N1CCOCC1
Show InChI InChI=1S/C24H25N5O2/c1-27-16-18(13-20(25)24(27)30)23-26-21-8-7-19(28-9-11-31-12-10-28)14-22(21)29(23)15-17-5-3-2-4-6-17/h2-8,13-14,16H,9-12,15,25H2,1H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215793
PNG
(US9296748, VI-1)
Show SMILES CNc1cc(cn(C)c1=O)-c1nc2ccccc2n1Cc1ccccc1
Show InChI InChI=1S/C21H20N4O/c1-22-18-12-16(14-24(2)21(18)26)20-23-17-10-6-7-11-19(17)25(20)13-15-8-4-3-5-9-15/h3-12,14,22H,13H2,1-2H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215698
PNG
(US9296748, I-34 | US9296748, I-39)
Show SMILES C[C@@H](c1ccccc1)n1c(nc2ccc(cc12)C1CN(C)CCO1)-c1cc(C)c(=O)n(C)c1 |r|
Show InChI InChI=1S/C27H30N4O2/c1-18-14-22(16-30(4)27(18)32)26-28-23-11-10-21(25-17-29(3)12-13-33-25)15-24(23)31(26)19(2)20-8-6-5-7-9-20/h5-11,14-16,19,25H,12-13,17H2,1-4H3/t19-,25?/m0/s1
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n/an/a 142n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215787
PNG
(US9296748, V-1)
Show SMILES CC1CC(=O)NN=C1c1ccc2n(Cc3ccccc3)c(nc2c1)-c1cc(N)c(=O)n(C)c1 |c:6|
Show InChI InChI=1S/C25H24N6O2/c1-15-10-22(32)28-29-23(15)17-8-9-21-20(12-17)27-24(18-11-19(26)25(33)30(2)14-18)31(21)13-16-6-4-3-5-7-16/h3-9,11-12,14-15H,10,13,26H2,1-2H3,(H,28,32)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215721
PNG
(US9296748, II-8)
Show SMILES Cc1cc(cn(C)c1=O)-c1nc2cnccc2n1Cc1ccccc1
Show InChI InChI=1S/C20H18N4O/c1-14-10-16(13-23(2)20(14)25)19-22-17-11-21-9-8-18(17)24(19)12-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215730
PNG
(US9296748, II-17)
Show SMILES C[C@H]1COCCN1c1cc2n(Cc3ccccn3)c(nc2cn1)-c1cc(C)c(=O)n(C)c1 |r|
Show InChI InChI=1S/C24H26N6O2/c1-16-10-18(13-28(3)24(16)31)23-27-20-12-26-22(29-8-9-32-15-17(29)2)11-21(20)30(23)14-19-6-4-5-7-25-19/h4-7,10-13,17H,8-9,14-15H2,1-3H3/t17-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215719
PNG
(US9296748, II-6)
Show SMILES CCn1cc(cc(C)c1=O)-c1nc2cnc(cc2n1Cc1ccccc1)N1CCOCC1
Show InChI InChI=1S/C25H27N5O2/c1-3-28-17-20(13-18(2)25(28)31)24-27-21-15-26-23(29-9-11-32-12-10-29)14-22(21)30(24)16-19-7-5-4-6-8-19/h4-8,13-15,17H,3,9-12,16H2,1-2H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215740
PNG
(US9296748, II-27)
Show SMILES Cc1cc(cn(C)c1=O)-c1nc2cnccc2n1Cc1ccc(F)c(F)c1
Show InChI InChI=1S/C20H16F2N4O/c1-12-7-14(11-25(2)20(12)27)19-24-17-9-23-6-5-18(17)26(19)10-13-3-4-15(21)16(22)8-13/h3-9,11H,10H2,1-2H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215746
PNG
(US9296748, II-33)
Show SMILES CC(C)c1cc2n([C@@H](C)c3ccccn3)c(nc2cn1)-c1cc(C)c(=O)n(C)c1 |r|
Show InChI InChI=1S/C23H25N5O/c1-14(2)19-11-21-20(12-25-19)26-22(17-10-15(3)23(29)27(5)13-17)28(21)16(4)18-8-6-7-9-24-18/h6-14,16H,1-5H3/t16-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215750
PNG
(US9296748, II-37)
Show SMILES CC(c1ccccn1)n1c(nc2cnc(cc12)N1CCOCC1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C24H26N6O2/c1-16-12-18(15-28(3)24(16)31)23-27-20-14-26-22(29-8-10-32-11-9-29)13-21(20)30(23)17(2)19-6-4-5-7-25-19/h4-7,12-15,17H,8-11H2,1-3H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215692
PNG
(US9296748, I-28)
Show SMILES COC[C@H](C)n1c(nc2ccc(cc12)C(C)C)-c1cc(C)c(=O)n(C)c1 |r|
Show InChI InChI=1S/C21H27N3O2/c1-13(2)16-7-8-18-19(10-16)24(15(4)12-26-6)20(22-18)17-9-14(3)21(25)23(5)11-17/h7-11,13,15H,12H2,1-6H3/t15-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215720
PNG
(US9296748, II-7)
Show SMILES Cc1cc(cn(C)c1=O)-c1nc2cnc(Cl)cc2n1Cc1ccccc1
Show InChI InChI=1S/C20H17ClN4O/c1-13-8-15(12-24(2)20(13)26)19-23-16-10-22-18(21)9-17(16)25(19)11-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215693
PNG
(US9296748, I-29)
Show SMILES CC(C)c1ccc2nc(-c3cc(C)c(=O)n(C)c3)n([C@@H](C)c3ccccn3)c2c1 |r|
Show InChI InChI=1S/C24H26N4O/c1-15(2)18-9-10-21-22(13-18)28(17(4)20-8-6-7-11-25-20)23(26-21)19-12-16(3)24(29)27(5)14-19/h6-15,17H,1-5H3/t17-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215757
PNG
(US9296748, II-44)
Show SMILES CCOc1cc(=O)n(C)cc1-c1nc2cnc(cc2n1[C@@H](C)c1ccccc1)C1CCOCC1 |r|
Show InChI InChI=1S/C27H30N4O3/c1-4-34-25-15-26(32)30(3)17-21(25)27-29-23-16-28-22(20-10-12-33-13-11-20)14-24(23)31(27)18(2)19-8-6-5-7-9-19/h5-9,14-18,20H,4,10-13H2,1-3H3/t18-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215771
PNG
(US9296748, IV-3)
Show SMILES Cc1cc(cn(C)c1=O)-c1nc2cc(Cl)cnc2n1Cc1ccccc1
Show InChI InChI=1S/C20H17ClN4O/c1-13-8-15(12-24(2)20(13)26)18-23-17-9-16(21)10-22-19(17)25(18)11-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215687
PNG
(US9296748, I-23)
Show SMILES Cc1cc(cn(C)c1=O)-c1nc2ccc(cc2n1Cc1ccccc1)C#N
Show InChI InChI=1S/C22H18N4O/c1-15-10-18(14-25(2)22(15)27)21-24-19-9-8-17(12-23)11-20(19)26(21)13-16-6-4-3-5-7-16/h3-11,14H,13H2,1-2H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215680
PNG
(US9296748, I-16)
Show SMILES CN1CCN(CC1)c1ccc2nc(-c3ccc(=O)n(C)n3)n(Cc3ccccc3)c2c1
Show InChI InChI=1S/C24H26N6O/c1-27-12-14-29(15-13-27)19-8-9-20-22(16-19)30(17-18-6-4-3-5-7-18)24(25-20)21-10-11-23(31)28(2)26-21/h3-11,16H,12-15,17H2,1-2H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215767
PNG
(US9296748, III-8)
Show SMILES CC(c1ccccn1)n1c(nc2ccc(OC3CCCC3)nc12)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C25H27N5O2/c1-16-14-18(15-29(3)25(16)31)23-27-21-11-12-22(32-19-8-4-5-9-19)28-24(21)30(23)17(2)20-10-6-7-13-26-20/h6-7,10-15,17,19H,4-5,8-9H2,1-3H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215685
PNG
(US9296748, I-21)
Show SMILES Cc1nc(cn(C)c1=O)-c1nc2ccccc2n1Cc1ccccc1
Show InChI InChI=1S/C20H18N4O/c1-14-20(25)23(2)13-17(21-14)19-22-16-10-6-7-11-18(16)24(19)12-15-8-4-3-5-9-15/h3-11,13H,12H2,1-2H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215751
PNG
(US9296748, II-38)
Show SMILES CC(C)Oc1cc2n([C@@H](C)c3ccccn3)c(nc2cn1)-c1cc(C)c(=O)n(C)c1 |r|
Show InChI InChI=1S/C23H25N5O2/c1-14(2)30-21-11-20-19(12-25-21)26-22(17-10-15(3)23(29)27(5)13-17)28(20)16(4)18-8-6-7-9-24-18/h6-14,16H,1-5H3/t16-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215748
PNG
(US9296748, II-35)
Show SMILES CC(c1ccccn1)n1c(nc2cnc(cc12)C1=CCOCC1)-c1cc(C)c(=O)n(C)c1 |t:20|
Show InChI InChI=1S/C25H25N5O2/c1-16-12-19(15-29(3)25(16)31)24-28-22-14-27-21(18-7-10-32-11-8-18)13-23(22)30(24)17(2)20-6-4-5-9-26-20/h4-7,9,12-15,17H,8,10-11H2,1-3H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215752
PNG
(US9296748, II-39)
Show SMILES C[C@@H](c1ccccn1)n1c(nc2cnc(OC3CCOC3)cc12)-c1cc(C)c(=O)n(C)c1 |r|
Show InChI InChI=1S/C24H25N5O3/c1-15-10-17(13-28(3)24(15)30)23-27-20-12-26-22(32-18-7-9-31-14-18)11-21(20)29(23)16(2)19-6-4-5-8-25-19/h4-6,8,10-13,16,18H,7,9,14H2,1-3H3/t16-,18?/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215768
PNG
(US9296748, III-9)
Show SMILES CC(c1ccccn1)n1c(nc2ccc(OC3CCN(C)CC3)nc12)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C26H30N6O2/c1-17-15-19(16-31(4)26(17)33)24-28-22-8-9-23(34-20-10-13-30(3)14-11-20)29-25(22)32(24)18(2)21-7-5-6-12-27-21/h5-9,12,15-16,18,20H,10-11,13-14H2,1-4H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215770
PNG
(US9296748, IV-2)
Show SMILES CC1CC(=O)NN=C1c1ccc2n(Cc3ccccc3)c(nc2c1)-c1ccc(=O)n(C)c1 |c:6|
Show InChI InChI=1S/C25H23N5O2/c1-16-12-22(31)27-28-24(16)18-8-10-21-20(13-18)26-25(19-9-11-23(32)29(2)15-19)30(21)14-17-6-4-3-5-7-17/h3-11,13,15-16H,12,14H2,1-2H3,(H,27,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215681
PNG
(US9296748, I-17)
Show SMILES Cn1nc(ccc1=O)-c1nc2ccc(cc2n1Cc1ccccc1)N1CCOCC1
Show InChI InChI=1S/C23H23N5O2/c1-26-22(29)10-9-20(25-26)23-24-19-8-7-18(27-11-13-30-14-12-27)15-21(19)28(23)16-17-5-3-2-4-6-17/h2-10,15H,11-14,16H2,1H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215766
PNG
(US9296748, III-7)
Show SMILES CC(C)Oc1ccc2nc(-c3cc(C)c(=O)n(C)c3)n(C(C)c3ccccn3)c2n1
Show InChI InChI=1S/C23H25N5O2/c1-14(2)30-20-10-9-19-22(26-20)28(16(4)18-8-6-7-11-24-18)21(25-19)17-12-15(3)23(29)27(5)13-17/h6-14,16H,1-5H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215731
PNG
(US9296748, II-18)
Show SMILES C[C@H](c1ccccc1)n1c(nc2cnc(cc12)N1CCOCC1)-c1cc(C)c(=O)n(C)c1 |r|
Show InChI InChI=1S/C25H27N5O2/c1-17-13-20(16-28(3)25(17)31)24-27-21-15-26-23(29-9-11-32-12-10-29)14-22(21)30(24)18(2)19-7-5-4-6-8-19/h4-8,13-16,18H,9-12H2,1-3H3/t18-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215696
PNG
(US9296748, I-32)
Show SMILES COC[C@H](C)n1c(nc2ccc(N)cc12)-c1cc(C)c(=O)n(C)c1 |r|
Show InChI InChI=1S/C18H22N4O2/c1-11-7-13(9-21(3)18(11)23)17-20-15-6-5-14(19)8-16(15)22(17)12(2)10-24-4/h5-9,12H,10,19H2,1-4H3/t12-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215753
PNG
(US9296748, II-40)
Show SMILES CC(c1ccccn1)n1c(nc2cnc(cc12)C1=CCCCO1)-c1cc(C)c(=O)n(C)c1 |t:20|
Show InChI InChI=1S/C25H25N5O2/c1-16-12-18(15-29(3)25(16)31)24-28-21-14-27-20(23-9-5-7-11-32-23)13-22(21)30(24)17(2)19-8-4-6-10-26-19/h4,6,8-10,12-15,17H,5,7,11H2,1-3H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215683
PNG
(US9296748, I-19)
Show SMILES Cn1cc(ncc1=O)-c1nc2ccc(cc2n1Cc1ccccc1)N1CCOCC1
Show InChI InChI=1S/C23H23N5O2/c1-26-16-20(24-14-22(26)29)23-25-19-8-7-18(27-9-11-30-12-10-27)13-21(19)28(23)15-17-5-3-2-4-6-17/h2-8,13-14,16H,9-12,15H2,1H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215769
PNG
(US9296748, IV-1)
Show SMILES Cc1cc(cn(C)c1=O)-c1nc2ncccc2n1Cc1ccccc1
Show InChI InChI=1S/C20H18N4O/c1-14-11-16(13-23(2)20(14)25)19-22-18-17(9-6-10-21-18)24(19)12-15-7-4-3-5-8-15/h3-11,13H,12H2,1-2H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215668
PNG
(US9296748, I-4)
Show SMILES Cn1cc(ccc1=O)-c1nc2ccc(cc2n1Cc1ccccc1)N1CCOCC1
Show InChI InChI=1S/C24H24N4O2/c1-26-17-19(7-10-23(26)29)24-25-21-9-8-20(27-11-13-30-14-12-27)15-22(21)28(24)16-18-5-3-2-4-6-18/h2-10,15,17H,11-14,16H2,1H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215669
PNG
(US9296748, I-5)
Show SMILES CN1CCN(CC1)c1ccc2nc(-c3ccc(=O)n(C)c3)n(Cc3ccccc3)c2c1
Show InChI InChI=1S/C25H27N5O/c1-27-12-14-29(15-13-27)21-9-10-22-23(16-21)30(17-19-6-4-3-5-7-19)25(26-22)20-8-11-24(31)28(2)18-20/h3-11,16,18H,12-15,17H2,1-2H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215672
PNG
(US9296748, I-8)
Show SMILES Cc1cc(c[nH]c1=O)-c1nc2ccccc2n1Cc1ccccc1
Show InChI InChI=1S/C20H17N3O/c1-14-11-16(12-21-20(14)24)19-22-17-9-5-6-10-18(17)23(19)13-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,21,24)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215749
PNG
(US9296748, II-36)
Show SMILES CC(c1ccccn1)n1c(nc2cnc(Cl)cc12)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C20H18ClN5O/c1-12-8-14(11-25(3)20(12)27)19-24-16-10-23-18(21)9-17(16)26(19)13(2)15-6-4-5-7-22-15/h4-11,13H,1-3H3
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n/an/a 650n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215760
PNG
(US9296748, III-1)
Show SMILES CN1CCN(CC1)c1ccc2nc(-c3ccc(=O)n(C)c3)n(Cc3ccccc3)c2n1
Show InChI InChI=1S/C24H26N6O/c1-27-12-14-29(15-13-27)21-10-9-20-24(26-21)30(16-18-6-4-3-5-7-18)23(25-20)19-8-11-22(31)28(2)17-19/h3-11,17H,12-16H2,1-2H3
PDB

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n/an/a 697n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215682
PNG
(US9296748, I-18)
Show SMILES Cn1cc(ncc1=O)-c1nc2ccccc2n1Cc1ccccc1
Show InChI InChI=1S/C19H16N4O/c1-22-13-16(20-11-18(22)24)19-21-15-9-5-6-10-17(15)23(19)12-14-7-3-2-4-8-14/h2-11,13H,12H2,1H3
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n/an/a 1.11E+3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215754
PNG
(US9296748, II-41)
Show SMILES CN1CCN(CC1)c1cc2n(Cc3ccccc3)c(nc2cn1)-c1cn(C)c(=O)c(C)c1C
Show InChI InChI=1S/C26H30N6O/c1-18-19(2)26(33)30(4)17-21(18)25-28-22-15-27-24(31-12-10-29(3)11-13-31)14-23(22)32(25)16-20-8-6-5-7-9-20/h5-9,14-15,17H,10-13,16H2,1-4H3
PDB

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n/an/a 1.20E+3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215788
PNG
(US9296748, V-2)
Show SMILES Cn1cc(cc(N)c1=O)-c1nc2ccccc2n1Cc1ccccc1
Show InChI InChI=1S/C20H18N4O/c1-23-13-15(11-16(21)20(23)25)19-22-17-9-5-6-10-18(17)24(19)12-14-7-3-2-4-8-14/h2-11,13H,12,21H2,1H3
PDB

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n/an/a 1.35E+3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215679
PNG
(US9296748, I-15)
Show SMILES Cn1nc(ccc1=O)-c1nc2ccccc2n1Cc1ccccc1
Show InChI InChI=1S/C19H16N4O/c1-22-18(24)12-11-16(21-22)19-20-15-9-5-6-10-17(15)23(19)13-14-7-3-2-4-8-14/h2-12H,13H2,1H3
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n/an/a 1.39E+3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215666
PNG
(US9296748, I-2)
Show SMILES Cn1cc(ccc1=O)-c1nc2ccccc2n1Cc1ccccc1
Show InChI InChI=1S/C20H17N3O/c1-22-14-16(11-12-19(22)24)20-21-17-9-5-6-10-18(17)23(20)13-15-7-3-2-4-8-15/h2-12,14H,13H2,1H3
PDB

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n/an/a 1.54E+3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215761
PNG
(US9296748, III-2)
Show SMILES Cn1cc(ccc1=O)-c1nc2cccnc2n1Cc1ccccc1
Show InChI InChI=1S/C19H16N4O/c1-22-13-15(9-10-17(22)24)18-21-16-8-5-11-20-19(16)23(18)12-14-6-3-2-4-7-14/h2-11,13H,12H2,1H3
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n/an/a 1.78E+3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215781
PNG
(US9296748, IV-13)
Show SMILES Cc1cc(cn(C)c1=O)-c1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H15Cl4N3O/c1-11-5-13(10-27(2)21(11)29)20-26-18-7-16(24)17(25)8-19(18)28(20)9-12-3-4-14(22)15(23)6-12/h3-8,10H,9H2,1-2H3
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n/an/a 4.81E+3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%