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Patent code US9428513

Compile Data Set for Download or QSAR
Found 29 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))		BDBM50157531
PNG
(CHEMBL3785917 | US9428513, I-25)
Show SMILES CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1C(C)CC1CC1)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C26H35N9O/c1-15(2)28-24-26-32-31-18(5)34(26)13-21(29-24)25-30-20-12-27-23(33-8-9-36-14-17(33)4)11-22(20)35(25)16(3)10-19-6-7-19/h11-13,15-17,19H,6-10,14H2,1-5H3,(H,28,29)/t16?,17-/m0/s1
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n/an/a 9n/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 (PerkinE...

US Patent US9428513 (2016)


BindingDB Entry DOI: 10.7270/Q23777MK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM245805
PNG
(US9428513, I-21)
Show SMILES COC[C@H](C)n1c(nc2cc3c(cc12)N(C(C)C)S(=O)(=O)C3(C)C)-c1cn2c(C)nnc2c(NC(C)C)n1 |r|
Show InChI InChI=1S/C26H36N8O3S/c1-14(2)27-23-25-31-30-17(6)32(25)12-20(28-23)24-29-19-10-18-21(11-22(19)33(24)16(5)13-37-9)34(15(3)4)38(35,36)26(18,7)8/h10-12,14-16H,13H2,1-9H3,(H,27,28)/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 (PerkinE...

US Patent US9428513 (2016)


BindingDB Entry DOI: 10.7270/Q23777MK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM245801
PNG
(US9428513, I-17)
Show SMILES COC[C@H](C)n1c(nc2cc3c(cc12)N(C(C)C)C(=O)C3(C)C)-c1cn2c(C)nnc2c(NC(C)C)n1 |r|
Show InChI InChI=1S/C27H36N8O2/c1-14(2)28-23-25-32-31-17(6)33(25)12-20(29-23)24-30-19-10-18-21(11-22(19)35(24)16(5)13-37-9)34(15(3)4)26(36)27(18,7)8/h10-12,14-16H,13H2,1-9H3,(H,28,29)/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 (PerkinE...

US Patent US9428513 (2016)


BindingDB Entry DOI: 10.7270/Q23777MK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM245800
PNG
(US9428513, I-16)
Show SMILES COC[C@H](C)n1c(nc2cc3c(cc12)N(C)C(=O)C3(C)C)-c1cn2c(C)nnc2c(NC(C)C)n1 |r|
Show InChI InChI=1S/C25H32N8O2/c1-13(2)26-21-23-30-29-15(4)32(23)11-18(27-21)22-28-17-9-16-19(31(7)24(34)25(16,5)6)10-20(17)33(22)14(3)12-35-8/h9-11,13-14H,12H2,1-8H3,(H,26,27)/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 (PerkinE...

US Patent US9428513 (2016)


BindingDB Entry DOI: 10.7270/Q23777MK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM245810
PNG
(US9428513, I-27)
Show SMILES CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1C(C)CC(F)(F)F)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C24H30F3N9O/c1-13(2)29-21-23-33-32-16(5)35(23)11-18(30-21)22-31-17-10-28-20(34-6-7-37-12-15(34)4)8-19(17)36(22)14(3)9-24(25,26)27/h8,10-11,13-15H,6-7,9,12H2,1-5H3,(H,29,30)/t14?,15-/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 (PerkinE...

US Patent US9428513 (2016)


BindingDB Entry DOI: 10.7270/Q23777MK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM245797
PNG
(US9428513, I-13)
Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1[C@@H](C)COC)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C22H29N9O2/c1-13-12-33-7-6-29(13)19-8-18-16(9-24-19)26-21(31(18)14(2)11-32-5)17-10-30-15(3)27-28-22(30)20(23-4)25-17/h8-10,13-14H,6-7,11-12H2,1-5H3,(H,23,25)/t13-,14-/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 (PerkinE...

US Patent US9428513 (2016)


BindingDB Entry DOI: 10.7270/Q23777MK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM245785
PNG
(US9428513, I-1)
Show SMILES COCCn1c(nc2cnc(cc12)N1CCOCC1)-c1cn2c(C)nnc2c(NC(C)C)n1
Show InChI InChI=1S/C22H29N9O2/c1-14(2)24-20-22-28-27-15(3)31(22)13-17(25-20)21-26-16-12-23-19(29-5-9-33-10-6-29)11-18(16)30(21)7-8-32-4/h11-14H,5-10H2,1-4H3,(H,24,25)
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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 (PerkinE...

US Patent US9428513 (2016)


BindingDB Entry DOI: 10.7270/Q23777MK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM245787
PNG
(US9428513, I-3)
Show SMILES COC[C@H](C)n1c(nc2cnc(cc12)N1CCOCC1)-c1cn2c(C)nnc2c(NC(C)C)n1 |r|
Show InChI InChI=1S/C23H31N9O2/c1-14(2)25-21-23-29-28-16(4)31(23)12-18(26-21)22-27-17-11-24-20(30-6-8-34-9-7-30)10-19(17)32(22)15(3)13-33-5/h10-12,14-15H,6-9,13H2,1-5H3,(H,25,26)/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 (PerkinE...

US Patent US9428513 (2016)


BindingDB Entry DOI: 10.7270/Q23777MK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM245789
PNG
(US9428513, I-5)
Show SMILES CCOCCn1c(nc2cnc(cc12)N1CCOCC1)-c1cn2c(C)nnc2c(NC(C)C)n1
Show InChI InChI=1S/C23H31N9O2/c1-5-33-11-8-31-19-12-20(30-6-9-34-10-7-30)24-13-17(19)27-22(31)18-14-32-16(4)28-29-23(32)21(26-18)25-15(2)3/h12-15H,5-11H2,1-4H3,(H,25,26)
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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 (PerkinE...

US Patent US9428513 (2016)


BindingDB Entry DOI: 10.7270/Q23777MK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM245806
PNG
(US9428513, I-22)
Show SMILES CC(C)OCCn1c(nc2cnc(cc12)N1CCOCC1)-c1cn2c(C)nnc2c(NC2CCN(C)CC2)n1
Show InChI InChI=1S/C27H38N10O2/c1-18(2)39-14-11-36-23-15-24(35-9-12-38-13-10-35)28-16-21(23)31-26(36)22-17-37-19(3)32-33-27(37)25(30-22)29-20-5-7-34(4)8-6-20/h15-18,20H,5-14H2,1-4H3,(H,29,30)
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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 (PerkinE...

US Patent US9428513 (2016)


BindingDB Entry DOI: 10.7270/Q23777MK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM245788
PNG
(US9428513, I-4)
Show SMILES CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1CCOC(C)C)N1CCOCC1
Show InChI InChI=1S/C24H33N9O2/c1-15(2)26-22-24-30-29-17(5)33(24)14-19(27-22)23-28-18-13-25-21(31-6-9-34-10-7-31)12-20(18)32(23)8-11-35-16(3)4/h12-16H,6-11H2,1-5H3,(H,26,27)
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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 (PerkinE...

US Patent US9428513 (2016)


BindingDB Entry DOI: 10.7270/Q23777MK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM245812
PNG
(US9428513, I-29)
Show SMILES COCCn1c(nc2nc(ccc12)N1CCOCC1)-c1cn2c(C)nnc2c(NC(C)C)n1
Show InChI InChI=1S/C22H29N9O2/c1-14(2)23-20-22-28-27-15(3)31(22)13-16(24-20)21-26-19-17(30(21)9-10-32-4)5-6-18(25-19)29-7-11-33-12-8-29/h5-6,13-14H,7-12H2,1-4H3,(H,23,24)
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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 (PerkinE...

US Patent US9428513 (2016)


BindingDB Entry DOI: 10.7270/Q23777MK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM245798
PNG
(US9428513, I-14)
Show SMILES COC[C@H](C)n1c(nc2ccc(cc12)C1CCOCC1)-c1cn2c(C)nnc2c(NC(C)C)n1 |r|
Show InChI InChI=1S/C25H33N7O2/c1-15(2)26-23-25-30-29-17(4)31(25)13-21(27-23)24-28-20-7-6-19(18-8-10-34-11-9-18)12-22(20)32(24)16(3)14-33-5/h6-7,12-13,15-16,18H,8-11,14H2,1-5H3,(H,26,27)/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 (PerkinE...

US Patent US9428513 (2016)


BindingDB Entry DOI: 10.7270/Q23777MK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM245790
PNG
(US9428513, I-6)
Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1[C@@H](C)COC)N1CCOCC1 |r|
Show InChI InChI=1S/C21H27N9O2/c1-13(12-31-4)30-17-9-18(28-5-7-32-8-6-28)23-10-15(17)25-20(30)16-11-29-14(2)26-27-21(29)19(22-3)24-16/h9-11,13H,5-8,12H2,1-4H3,(H,22,24)/t13-/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 (PerkinE...

US Patent US9428513 (2016)


BindingDB Entry DOI: 10.7270/Q23777MK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM245796
PNG
(US9428513, I-12)
Show SMILES COC[C@H](C)n1c(nc2cnc(cc12)N1CCOC[C@@H]1C)-c1cn2c(C)nnc2c(NC(C)C)n1 |r|
Show InChI InChI=1S/C24H33N9O2/c1-14(2)26-22-24-30-29-17(5)32(24)11-19(27-22)23-28-18-10-25-21(31-7-8-35-13-15(31)3)9-20(18)33(23)16(4)12-34-6/h9-11,14-16H,7-8,12-13H2,1-6H3,(H,26,27)/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 (PerkinE...

US Patent US9428513 (2016)


BindingDB Entry DOI: 10.7270/Q23777MK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM245794
PNG
(US9428513, I-10)
Show SMILES CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1C[C@H]1CCCO1)N1CCOCC1 |r|
Show InChI InChI=1S/C24H31N9O2/c1-15(2)26-22-24-30-29-16(3)32(24)14-19(27-22)23-28-18-12-25-21(31-6-9-34-10-7-31)11-20(18)33(23)13-17-5-4-8-35-17/h11-12,14-15,17H,4-10,13H2,1-3H3,(H,26,27)/t17-/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 (PerkinE...

US Patent US9428513 (2016)


BindingDB Entry DOI: 10.7270/Q23777MK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM245792
PNG
(US9428513, I-8)
Show SMILES CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1C[C@@H]1CCCO1)N1CCOCC1 |r|
Show InChI InChI=1S/C24H31N9O2/c1-15(2)26-22-24-30-29-16(3)32(24)14-19(27-22)23-28-18-12-25-21(31-6-9-34-10-7-31)11-20(18)33(23)13-17-5-4-8-35-17/h11-12,14-15,17H,4-10,13H2,1-3H3,(H,26,27)/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 (PerkinE...

US Patent US9428513 (2016)


BindingDB Entry DOI: 10.7270/Q23777MK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM245791
PNG
(US9428513, I-7)
Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1C[C@@H]1CCCO1)N1CCOCC1 |r|
Show InChI InChI=1S/C22H27N9O2/c1-14-27-28-22-20(23-2)25-17(13-30(14)22)21-26-16-11-24-19(29-5-8-32-9-6-29)10-18(16)31(21)12-15-4-3-7-33-15/h10-11,13,15H,3-9,12H2,1-2H3,(H,23,25)/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 (PerkinE...

US Patent US9428513 (2016)


BindingDB Entry DOI: 10.7270/Q23777MK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM245803
PNG
(US9428513, I-19)
Show SMILES COC[C@H](C)n1c(nc2ccc(cc12)N1CCOC[C@@H]1C)-c1cn2c(C)nnc2c(NC(C)C)n1 |r|
Show InChI InChI=1S/C25H34N8O2/c1-15(2)26-23-25-30-29-18(5)32(25)12-21(27-23)24-28-20-8-7-19(31-9-10-35-14-16(31)3)11-22(20)33(24)17(4)13-34-6/h7-8,11-12,15-17H,9-10,13-14H2,1-6H3,(H,26,27)/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 (PerkinE...

US Patent US9428513 (2016)


BindingDB Entry DOI: 10.7270/Q23777MK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM245808
PNG
(US9428513, I-24)
Show SMILES COC[C@H](C)n1c(nc2ccc(cc12)C1CN(C)CCO1)-c1cn2c(C)nnc2c(NC(C)C)n1 |r|
Show InChI InChI=1S/C25H34N8O2/c1-15(2)26-23-25-30-29-17(4)32(25)12-20(27-23)24-28-19-8-7-18(22-13-31(5)9-10-35-22)11-21(19)33(24)16(3)14-34-6/h7-8,11-12,15-16,22H,9-10,13-14H2,1-6H3,(H,26,27)/t16-,22?/m0/s1
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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 (PerkinE...

US Patent US9428513 (2016)


BindingDB Entry DOI: 10.7270/Q23777MK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM245793
PNG
(US9428513, I-9)
Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1CC1CCCO1)N1CCOCC1
Show InChI InChI=1S/C22H27N9O2/c1-14-27-28-22-20(23-2)25-17(13-30(14)22)21-26-16-11-24-19(29-5-8-32-9-6-29)10-18(16)31(21)12-15-4-3-7-33-15/h10-11,13,15H,3-9,12H2,1-2H3,(H,23,25)
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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 (PerkinE...

US Patent US9428513 (2016)


BindingDB Entry DOI: 10.7270/Q23777MK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM245802
PNG
(US9428513, I-18)
Show SMILES COC[C@H](C)n1c(nc2cnc(N)cc12)-c1cn2c(C)nnc2c(NC(C)C)n1 |r|
Show InChI InChI=1S/C19H25N9O/c1-10(2)22-17-19-26-25-12(4)27(19)8-14(23-17)18-24-13-7-21-16(20)6-15(13)28(18)11(3)9-29-5/h6-8,10-11H,9H2,1-5H3,(H2,20,21)(H,22,23)/t11-/m0/s1
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n/an/a 69n/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 (PerkinE...

US Patent US9428513 (2016)


BindingDB Entry DOI: 10.7270/Q23777MK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM245811
PNG
(US9428513, I-28)
Show SMILES COC[C@H](C)n1c(nc2ccc(nc12)N1CCOCC1)-c1cn2c(C)nnc2c(NC(C)C)n1 |r|
Show InChI InChI=1S/C23H31N9O2/c1-14(2)24-20-23-29-28-16(4)31(23)12-18(25-20)22-26-17-6-7-19(30-8-10-34-11-9-30)27-21(17)32(22)15(3)13-33-5/h6-7,12,14-15H,8-11,13H2,1-5H3,(H,24,25)/t15-/m0/s1
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n/an/a 69n/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 (PerkinE...

US Patent US9428513 (2016)


BindingDB Entry DOI: 10.7270/Q23777MK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM245807
PNG
(US9428513, I-23)
Show SMILES CC(C)OCCn1c(nc2cnc(cc12)N1CCOCC1)-c1cn2c(C)nnc2c(NC2CCN(CC2)S(C)(=O)=O)n1
Show InChI InChI=1S/C27H38N10O4S/c1-18(2)41-14-11-36-23-15-24(34-9-12-40-13-10-34)28-16-21(23)31-26(36)22-17-37-19(3)32-33-27(37)25(30-22)29-20-5-7-35(8-6-20)42(4,38)39/h15-18,20H,5-14H2,1-4H3,(H,29,30)
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n/an/a 122n/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 (PerkinE...

US Patent US9428513 (2016)


BindingDB Entry DOI: 10.7270/Q23777MK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM245799
PNG
(US9428513, I-15)
Show SMILES COC[C@H](C)n1c(nc2ccc(cc12)C(C)C)-c1cn2c(C)nnc2c(NC(C)C)n1 |r|
Show InChI InChI=1S/C23H31N7O/c1-13(2)17-8-9-18-20(10-17)30(15(5)12-31-7)22(26-18)19-11-29-16(6)27-28-23(29)21(25-19)24-14(3)4/h8-11,13-15H,12H2,1-7H3,(H,24,25)/t15-/m0/s1
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n/an/a 123n/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 (PerkinE...

US Patent US9428513 (2016)


BindingDB Entry DOI: 10.7270/Q23777MK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM245809
PNG
(US9428513, I-26)
Show SMILES COC[C@H](C)n1c(nc2cnc(cc12)N1CCOCC1)-c1cn2c(C)nnc2c(N)n1 |r|
Show InChI InChI=1S/C20H25N9O2/c1-12(11-30-3)29-16-8-17(27-4-6-31-7-5-27)22-9-14(16)24-19(29)15-10-28-13(2)25-26-20(28)18(21)23-15/h8-10,12H,4-7,11H2,1-3H3,(H2,21,23)/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 (PerkinE...

US Patent US9428513 (2016)


BindingDB Entry DOI: 10.7270/Q23777MK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM245804
PNG
(US9428513, I-20)
Show SMILES COC[C@H](C)n1c(nc2ccc(N)cc12)-c1cn2c(C)nnc2c(NC(C)C)n1 |r|
Show InChI InChI=1S/C20H26N8O/c1-11(2)22-18-20-26-25-13(4)27(20)9-16(23-18)19-24-15-7-6-14(21)8-17(15)28(19)12(3)10-29-5/h6-9,11-12H,10,21H2,1-5H3,(H,22,23)/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 (PerkinE...

US Patent US9428513 (2016)


BindingDB Entry DOI: 10.7270/Q23777MK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM245786
PNG
(US9428513, I-2)
Show SMILES COC[C@@H](C)n1c(nc2cnc(cc12)N1CCOCC1)-c1cn2c(C)nnc2c(NC(C)C)n1 |r|
Show InChI InChI=1S/C23H31N9O2/c1-14(2)25-21-23-29-28-16(4)31(23)12-18(26-21)22-27-17-11-24-20(30-6-8-34-9-7-30)10-19(17)32(22)15(3)13-33-5/h10-12,14-15H,6-9,13H2,1-5H3,(H,25,26)/t15-/m1/s1
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n/an/a 333n/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 (PerkinE...

US Patent US9428513 (2016)


BindingDB Entry DOI: 10.7270/Q23777MK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM245795
PNG
(US9428513, I-11)
Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1[C@H](C)COC)N1CCOCC1 |r|
Show InChI InChI=1S/C21H27N9O2/c1-13(12-31-4)30-17-9-18(28-5-7-32-8-6-28)23-10-15(17)25-20(30)16-11-29-14(2)26-27-21(29)19(22-3)24-16/h9-11,13H,5-8,12H2,1-4H3,(H,22,24)/t13-/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 (PerkinE...

US Patent US9428513 (2016)


BindingDB Entry DOI: 10.7270/Q23777MK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%