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Patent code US9776990

Compile Data Set for Download or QSAR
Found 146 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342609
PNG
(N-{4-[(4,4-difluorocyclohexyl)oxy]-3-(3-methyl-4-o...)
Show SMILES CCS(=O)(=O)Nc1ccc(OC2CCC(F)(F)CC2)c(c1)-c1[nH]c(C)c2c1CCCC2=O
Show InChI InChI=1S/C23H28F2N2O4S/c1-3-32(29,30)27-15-7-8-20(31-16-9-11-23(24,25)12-10-16)18(13-15)22-17-5-4-6-19(28)21(17)14(2)26-22/h7-8,13,16,26-27H,3-6,9-12H2,1-2H3
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9n/an/an/an/an/an/an/an/a



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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342604
PNG
(N-[4-(2,4-difluorophenoxy)-3-(3-methyl-4-oxo-4,5,6...)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1[nH]c(C)c2c1CCCC2=O
Show InChI InChI=1S/C23H22F2N2O4S/c1-3-32(29,30)27-15-8-10-20(31-21-9-7-14(24)11-18(21)25)17(12-15)23-16-5-4-6-19(28)22(16)13(2)26-23/h7-12,26-27H,3-6H2,1-2H3
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342624
PNG
(N-[3-(3,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-2H-iso...)
Show SMILES CC1Cc2c([nH]c(C)c2C(=O)C1)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1/C23H24N2O4S/c1-14-11-19-22(20(26)12-14)15(2)24-23(19)18-13-16(25-30(3,27)28)9-10-21(18)29-17-7-5-4-6-8-17/h4-10,13-14,24-25H,11-12H2,1-3H3
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342603
PNG
(N-[4-(2,4-difluorophenoxy)-3-(3-methyl-4-oxo-4,5,6...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C22H20F2N2O4S/c1-12-21-15(4-3-5-18(21)27)22(25-12)16-11-14(26-31(2,28)29)7-9-19(16)30-20-8-6-13(23)10-17(20)24/h6-11,25-26H,3-5H2,1-2H3
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342597
PNG
(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C22H22N2O4S/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3
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15n/an/an/an/an/an/an/an/a



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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342604
PNG
(N-[4-(2,4-difluorophenoxy)-3-(3-methyl-4-oxo-4,5,6...)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1[nH]c(C)c2c1CCCC2=O
Show InChI InChI=1S/C23H22F2N2O4S/c1-3-32(29,30)27-15-8-10-20(31-21-9-7-14(24)11-18(21)25)17(12-15)23-16-5-4-6-19(28)22(16)13(2)26-23/h7-12,26-27H,3-6H2,1-2H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342630
PNG
(1-[2-(cyclopropylmethoxy)-5-(methylsulfonyl)phenyl...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(ccc1OCC1CC1)S(C)(=O)=O
Show InChI InChI=1S/C20H23NO4S/c1-12-19-15(4-3-5-17(19)22)20(21-12)16-10-14(26(2,23)24)8-9-18(16)25-11-13-6-7-13/h8-10,13,21H,3-7,11H2,1-2H3
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34n/an/an/an/an/an/an/an/a



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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342601
PNG
(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Sc1ccccc1
Show InChI InChI=1S/C22H22N2O3S2/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342602
PNG
(1-[5-amino-2-(2,4-difluorophenoxy)phenyl]-3-methyl...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(N)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C21H18F2N2O2/c1-11-20-14(3-2-4-17(20)26)21(25-11)15-10-13(24)6-8-18(15)27-19-7-5-12(22)9-16(19)23/h5-10,25H,2-4,24H2,1H3
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342597
PNG
(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C22H22N2O4S/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342606
PNG
(N′-[4-(2,4-difluorophenoxy)-3-(3-methyl-4-ox...)
Show SMILES CN(C)S(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1[nH]c(C)c2c1CCCC2=O
Show InChI InChI=1S/C23H23F2N3O4S/c1-13-22-16(5-4-6-19(22)29)23(26-13)17-12-15(27-33(30,31)28(2)3)8-10-20(17)32-21-9-7-14(24)11-18(21)25/h7-12,26-27H,4-6H2,1-3H3
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342605
PNG
(N-[4-(2,4-difluorophenoxy)-3-(3-methyl-4-oxo-4,5,6...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(=O)(=O)CC(F)(F)F)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C23H19F5N2O4S/c1-12-21-15(3-2-4-18(21)31)22(29-12)16-10-14(30-35(32,33)11-23(26,27)28)6-8-19(16)34-20-7-5-13(24)9-17(20)25/h5-10,29-30H,2-4,11H2,1H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342611
PNG
(3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindol-1...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(ccc1Oc1ccccc1)C(O)=O
Show InChI InChI=1S/C22H19NO4/c1-13-20-16(8-5-9-18(20)24)21(23-13)17-12-14(22(25)26)10-11-19(17)27-15-6-3-2-4-7-15/h2-4,6-7,10-12,23H,5,8-9H2,1H3,(H,25,26)
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342603
PNG
(N-[4-(2,4-difluorophenoxy)-3-(3-methyl-4-oxo-4,5,6...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C22H20F2N2O4S/c1-12-21-15(4-3-5-18(21)27)22(25-12)16-11-14(26-31(2,28)29)7-9-19(16)30-20-8-6-13(23)10-17(20)24/h6-11,25-26H,3-5H2,1-2H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342623
PNG
(1-(5-amino-2-phenoxyphenyl)-3,6-dimethyl-2,5,6,7-t...)
Show SMILES CC1Cc2c([nH]c(C)c2C(=O)C1)-c1cc(N)ccc1Oc1ccccc1
Show InChI InChI=1/C22H22N2O2/c1-13-10-18-21(19(25)11-13)14(2)24-22(18)17-12-15(23)8-9-20(17)26-16-6-4-3-5-7-16/h3-9,12-13,24H,10-11,23H2,1-2H3
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342601
PNG
(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Sc1ccccc1
Show InChI InChI=1S/C22H22N2O3S2/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342613
PNG
(3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindol-1...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(ccc1Oc1ccccc1)C(=O)NCC1CCCO1
Show InChI InChI=1/C27H28N2O4/c1-17-25-21(10-5-11-23(25)30)26(29-17)22-15-18(27(31)28-16-20-9-6-14-32-20)12-13-24(22)33-19-7-3-2-4-8-19/h2-4,7-8,12-13,15,20,29H,5-6,9-11,14,16H2,1H3,(H,28,31)
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342624
PNG
(N-[3-(3,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-2H-iso...)
Show SMILES CC1Cc2c([nH]c(C)c2C(=O)C1)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1/C23H24N2O4S/c1-14-11-19-22(20(26)12-14)15(2)24-23(19)18-13-16(25-30(3,27)28)9-10-21(18)29-17-7-5-4-6-8-17/h4-10,13-14,24-25H,11-12H2,1-3H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342605
PNG
(N-[4-(2,4-difluorophenoxy)-3-(3-methyl-4-oxo-4,5,6...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(=O)(=O)CC(F)(F)F)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C23H19F5N2O4S/c1-12-21-15(3-2-4-18(21)31)22(29-12)16-10-14(30-35(32,33)11-23(26,27)28)6-8-19(16)34-20-7-5-13(24)9-17(20)25/h5-10,29-30H,2-4,11H2,1H3
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342623
PNG
(1-(5-amino-2-phenoxyphenyl)-3,6-dimethyl-2,5,6,7-t...)
Show SMILES CC1Cc2c([nH]c(C)c2C(=O)C1)-c1cc(N)ccc1Oc1ccccc1
Show InChI InChI=1/C22H22N2O2/c1-13-10-18-21(19(25)11-13)14(2)24-22(18)17-12-15(23)8-9-20(17)26-16-6-4-3-5-7-16/h3-9,12-13,24H,10-11,23H2,1-2H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342607
PNG
(N-[4-(2,4-difluorophenoxy)-3-(3-methyl-4-oxo-4,5,6...)
Show SMILES CC(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1[nH]c(C)c2c1CCCC2=O
Show InChI InChI=1S/C23H20F2N2O3/c1-12-22-16(4-3-5-19(22)29)23(26-12)17-11-15(27-13(2)28)7-9-20(17)30-21-8-6-14(24)10-18(21)25/h6-11,26H,3-5H2,1-2H3,(H,27,28)
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342612
PNG
(N-ethyl-3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-is...)
Show SMILES CCNC(=O)c1ccc(Oc2ccccc2)c(c1)-c1[nH]c(C)c2c1CCCC2=O
Show InChI InChI=1S/C24H24N2O3/c1-3-25-24(28)16-12-13-21(29-17-8-5-4-6-9-17)19(14-16)23-18-10-7-11-20(27)22(18)15(2)26-23/h4-6,8-9,12-14,26H,3,7,10-11H2,1-2H3,(H,25,28)
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342609
PNG
(N-{4-[(4,4-difluorocyclohexyl)oxy]-3-(3-methyl-4-o...)
Show SMILES CCS(=O)(=O)Nc1ccc(OC2CCC(F)(F)CC2)c(c1)-c1[nH]c(C)c2c1CCCC2=O
Show InChI InChI=1S/C23H28F2N2O4S/c1-3-32(29,30)27-15-7-8-20(31-16-9-11-23(24,25)12-10-16)18(13-15)22-17-5-4-6-19(28)21(17)14(2)26-22/h7-8,13,16,26-27H,3-6,9-12H2,1-2H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342596
PNG
(1-(5-amino-2-phenoxyphenyl)-3-methyl-2,5,6,7-tetra...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(N)ccc1Oc1ccccc1
Show InChI InChI=1S/C21H20N2O2/c1-13-20-16(8-5-9-18(20)24)21(23-13)17-12-14(22)10-11-19(17)25-15-6-3-2-4-7-15/h2-4,6-7,10-12,23H,5,8-9,22H2,1H3
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342626
PNG
(N-{3-[3-methyl-6-(2-methylpropyl)-4-oxo-4,5,6,7-te...)
Show SMILES CC(C)CC1Cc2c([nH]c(C)c2C(=O)C1)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1/C26H30N2O4S/c1-16(2)12-18-13-22-25(23(29)14-18)17(3)27-26(22)21-15-19(28-33(4,30)31)10-11-24(21)32-20-8-6-5-7-9-20/h5-11,15-16,18,27-28H,12-14H2,1-4H3
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342598
PNG
(N-[3-(2,3-dimethyl-4-oxo-4,5,6,7-tetrahydro-2H-iso...)
Show SMILES Cc1c2c(CCCC2=O)c(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2)n1C
Show InChI InChI=1S/C23H24N2O4S/c1-15-22-18(10-7-11-20(22)26)23(25(15)2)19-14-16(24-30(3,27)28)12-13-21(19)29-17-8-5-4-6-9-17/h4-6,8-9,12-14,24H,7,10-11H2,1-3H3
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342608
PNG
(N-[4-(2,4-difluorophenoxy)-3-(3-methyl-4-oxo-4,5,6...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NC(=O)c2ccc[nH]2)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C26H21F2N3O3/c1-14-24-17(4-2-6-21(24)32)25(30-14)18-13-16(31-26(33)20-5-3-11-29-20)8-10-22(18)34-23-9-7-15(27)12-19(23)28/h3,5,7-13,29-30H,2,4,6H2,1H3,(H,31,33)
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342622
PNG
(3,6-dimethyl-1-(2-phenoxyphenyl)-2,5,6,7-tetrahydr...)
Show SMILES CC1Cc2c([nH]c(C)c2C(=O)C1)-c1ccccc1Oc1ccccc1
Show InChI InChI=1/C22H21NO2/c1-14-12-18-21(19(24)13-14)15(2)23-22(18)17-10-6-7-11-20(17)25-16-8-4-3-5-9-16/h3-11,14,23H,12-13H2,1-2H3
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342606
PNG
(N′-[4-(2,4-difluorophenoxy)-3-(3-methyl-4-ox...)
Show SMILES CN(C)S(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1[nH]c(C)c2c1CCCC2=O
Show InChI InChI=1S/C23H23F2N3O4S/c1-13-22-16(5-4-6-19(22)29)23(26-13)17-12-15(27-33(30,31)28(2)3)8-10-20(17)32-21-9-7-14(24)11-18(21)25/h7-12,26-27H,4-6H2,1-3H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342602
PNG
(1-[5-amino-2-(2,4-difluorophenoxy)phenyl]-3-methyl...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(N)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C21H18F2N2O2/c1-11-20-14(3-2-4-17(20)26)21(25-11)15-10-13(24)6-8-18(15)27-19-7-5-12(22)9-16(19)23/h5-10,25H,2-4,24H2,1H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342589
PNG
(3-methyl-1-[2-(tetrahydro-2H-pyran-4-ylmethoxy)phe...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1OCC1CCOCC1
Show InChI InChI=1S/C21H25NO3/c1-14-20-17(6-4-7-18(20)23)21(22-14)16-5-2-3-8-19(16)25-13-15-9-11-24-12-10-15/h2-3,5,8,15,22H,4,6-7,9-13H2,1H3
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342598
PNG
(N-[3-(2,3-dimethyl-4-oxo-4,5,6,7-tetrahydro-2H-iso...)
Show SMILES Cc1c2c(CCCC2=O)c(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2)n1C
Show InChI InChI=1S/C23H24N2O4S/c1-15-22-18(10-7-11-20(22)26)23(25(15)2)19-14-16(24-30(3,27)28)12-13-21(19)29-17-8-5-4-6-9-17/h4-6,8-9,12-14,24H,7,10-11H2,1-3H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342519
PNG
(3-methyl-1-(2-phenoxyphenyl)-2,5,6,7-tetrahydro-4H...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1Oc1ccccc1
Show InChI InChI=1S/C21H19NO2/c1-14-20-17(11-7-12-18(20)23)21(22-14)16-10-5-6-13-19(16)24-15-8-3-2-4-9-15/h2-6,8-10,13,22H,7,11-12H2,1H3
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342563
PNG
(3-methyl-1-(3,4,5-trimethoxyphenyl)-2,5,6,7-tetrah...)
Show SMILES COc1cc(cc(OC)c1OC)-c1[nH]c(C)c2c1CCCC2=O
Show InChI InChI=1S/C18H21NO4/c1-10-16-12(6-5-7-13(16)20)17(19-10)11-8-14(21-2)18(23-4)15(9-11)22-3/h8-9,19H,5-7H2,1-4H3
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342611
PNG
(3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindol-1...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(ccc1Oc1ccccc1)C(O)=O
Show InChI InChI=1S/C22H19NO4/c1-13-20-16(8-5-9-18(20)24)21(23-13)17-12-14(22(25)26)10-11-19(17)27-15-6-3-2-4-7-15/h2-4,6-7,10-12,23H,5,8-9H2,1H3,(H,25,26)
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342586
PNG
(3-methyl-1-[2-(tetrahydrofuran-3-ylmethoxy)phenyl]...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1OCC1CCOC1
Show InChI InChI=1/C20H23NO3/c1-13-19-16(6-4-7-17(19)22)20(21-13)15-5-2-3-8-18(15)24-12-14-9-10-23-11-14/h2-3,5,8,14,21H,4,6-7,9-12H2,1H3
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342596
PNG
(1-(5-amino-2-phenoxyphenyl)-3-methyl-2,5,6,7-tetra...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(N)ccc1Oc1ccccc1
Show InChI InChI=1S/C21H20N2O2/c1-13-20-16(8-5-9-18(20)24)21(23-13)17-12-14(22)10-11-19(17)25-15-6-3-2-4-7-15/h2-4,6-7,10-12,23H,5,8-9,22H2,1H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342628
PNG
(N-{3-[3-methyl-4-oxo-6-(propan-2-yl)-4,5,6,7-tetra...)
Show SMILES CC(C)C1Cc2c([nH]c(C)c2C(=O)C1)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1/C25H28N2O4S/c1-15(2)17-12-21-24(22(28)13-17)16(3)26-25(21)20-14-18(27-32(4,29)30)10-11-23(20)31-19-8-6-5-7-9-19/h5-11,14-15,17,26-27H,12-13H2,1-4H3
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342622
PNG
(3,6-dimethyl-1-(2-phenoxyphenyl)-2,5,6,7-tetrahydr...)
Show SMILES CC1Cc2c([nH]c(C)c2C(=O)C1)-c1ccccc1Oc1ccccc1
Show InChI InChI=1/C22H21NO2/c1-14-12-18-21(19(24)13-14)15(2)23-22(18)17-10-6-7-11-20(17)25-16-8-4-3-5-9-16/h3-11,14,23H,12-13H2,1-2H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342621
PNG
(N-[3-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-2H-...)
Show SMILES Cc1[nH]c(c2CC(C)(C)CC(=O)c12)-c1cccc(NS(C)(=O)=O)c1
Show InChI InChI=1S/C18H22N2O3S/c1-11-16-14(9-18(2,3)10-15(16)21)17(19-11)12-6-5-7-13(8-12)20-24(4,22)23/h5-8,19-20H,9-10H2,1-4H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342630
PNG
(1-[2-(cyclopropylmethoxy)-5-(methylsulfonyl)phenyl...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(ccc1OCC1CC1)S(C)(=O)=O
Show InChI InChI=1S/C20H23NO4S/c1-12-19-15(4-3-5-17(19)22)20(21-12)16-10-14(26(2,23)24)8-9-18(16)25-11-13-6-7-13/h8-10,13,21H,3-7,11H2,1-2H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342519
PNG
(3-methyl-1-(2-phenoxyphenyl)-2,5,6,7-tetrahydro-4H...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1Oc1ccccc1
Show InChI InChI=1S/C21H19NO2/c1-14-20-17(11-7-12-18(20)23)21(22-14)16-10-5-6-13-19(16)24-15-8-3-2-4-9-15/h2-6,8-10,13,22H,7,11-12H2,1H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342612
PNG
(N-ethyl-3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-is...)
Show SMILES CCNC(=O)c1ccc(Oc2ccccc2)c(c1)-c1[nH]c(C)c2c1CCCC2=O
Show InChI InChI=1S/C24H24N2O3/c1-3-25-24(28)16-12-13-21(29-17-8-5-4-6-9-17)19(14-16)23-18-10-7-11-20(27)22(18)15(2)26-23/h4-6,8-9,12-14,26H,3,7,10-11H2,1-2H3,(H,25,28)
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342615
PNG
(1-(1,3-benzodioxol-5-yl)-3,6,6-trimethyl-2,5,6,7-t...)
Show SMILES Cc1[nH]c(c2CC(C)(C)CC(=O)c12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C18H19NO3/c1-10-16-12(7-18(2,3)8-13(16)20)17(19-10)11-4-5-14-15(6-11)22-9-21-14/h4-6,19H,7-9H2,1-3H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342594
PNG
(3-methyl-1-[2-(pyridin-3-ylmethoxy)phenyl]-2,5,6,7...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1OCc1cccnc1
Show InChI InChI=1S/C21H20N2O2/c1-14-20-17(8-4-9-18(20)24)21(23-14)16-7-2-3-10-19(16)25-13-15-6-5-11-22-12-15/h2-3,5-7,10-12,23H,4,8-9,13H2,1H3
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342607
PNG
(N-[4-(2,4-difluorophenoxy)-3-(3-methyl-4-oxo-4,5,6...)
Show SMILES CC(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1[nH]c(C)c2c1CCCC2=O
Show InChI InChI=1S/C23H20F2N2O3/c1-12-22-16(4-3-5-19(22)29)23(26-12)17-11-15(27-13(2)28)7-9-20(17)30-21-8-6-14(24)10-18(21)25/h6-11,26H,3-5H2,1-2H3,(H,27,28)
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342600
PNG
(1-[5-amino-2-(phenylsulfanyl)phenyl]-3-methyl-2,5,...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(N)ccc1Sc1ccccc1
Show InChI InChI=1S/C21H20N2OS/c1-13-20-16(8-5-9-18(20)24)21(23-13)17-12-14(22)10-11-19(17)25-15-6-3-2-4-7-15/h2-4,6-7,10-12,23H,5,8-9,22H2,1H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342599
PNG
(N-[3-(2,3-dimethyl-4-oxo-4,5,6,7-tetrahydro-2H-iso...)
Show SMILES CC(=O)Nc1ccc(Oc2ccccc2)c(c1)-c1c2CCCC(=O)c2c(C)n1C
Show InChI InChI=1S/C24H24N2O3/c1-15-23-19(10-7-11-21(23)28)24(26(15)3)20-14-17(25-16(2)27)12-13-22(20)29-18-8-5-4-6-9-18/h4-6,8-9,12-14H,7,10-11H2,1-3H3,(H,25,27)
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342621
PNG
(N-[3-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-2H-...)
Show SMILES Cc1[nH]c(c2CC(C)(C)CC(=O)c12)-c1cccc(NS(C)(=O)=O)c1
Show InChI InChI=1S/C18H22N2O3S/c1-11-16-14(9-18(2,3)10-15(16)21)17(19-11)12-6-5-7-13(8-12)20-24(4,22)23/h5-8,19-20H,9-10H2,1-4H3
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342613
PNG
(3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindol-1...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(ccc1Oc1ccccc1)C(=O)NCC1CCCO1
Show InChI InChI=1/C27H28N2O4/c1-17-25-21(10-5-11-23(25)30)26(29-17)22-15-18(27(31)28-16-20-9-6-14-32-20)12-13-24(22)33-19-7-3-2-4-8-19/h2-4,7-8,12-13,15,20,29H,5-6,9-11,14,16H2,1H3,(H,28,31)
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342588
PNG
(3-methyl-1-[2-(tetrahydrofuran-2-ylmethoxy)phenyl]...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1OCC1CCCO1
Show InChI InChI=1/C20H23NO3/c1-13-19-16(8-4-9-17(19)22)20(21-13)15-7-2-3-10-18(15)24-12-14-6-5-11-23-14/h2-3,7,10,14,21H,4-6,8-9,11-12H2,1H3
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342620
PNG
(3,6,6-trimethyl-1-(2-phenoxyphenyl)-2,5,6,7-tetrah...)
Show SMILES Cc1[nH]c(c2CC(C)(C)CC(=O)c12)-c1ccccc1Oc1ccccc1
Show InChI InChI=1S/C23H23NO2/c1-15-21-18(13-23(2,3)14-19(21)25)22(24-15)17-11-7-8-12-20(17)26-16-9-5-4-6-10-16/h4-12,24H,13-14H2,1-3H3
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342563
PNG
(3-methyl-1-(3,4,5-trimethoxyphenyl)-2,5,6,7-tetrah...)
Show SMILES COc1cc(cc(OC)c1OC)-c1[nH]c(C)c2c1CCCC2=O
Show InChI InChI=1S/C18H21NO4/c1-10-16-12(6-5-7-13(16)20)17(19-10)11-8-14(21-2)18(23-4)15(9-11)22-3/h8-9,19H,5-7H2,1-4H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342628
PNG
(N-{3-[3-methyl-4-oxo-6-(propan-2-yl)-4,5,6,7-tetra...)
Show SMILES CC(C)C1Cc2c([nH]c(C)c2C(=O)C1)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1/C25H28N2O4S/c1-15(2)17-12-21-24(22(28)13-17)16(3)26-25(21)20-14-18(27-32(4,29)30)10-11-23(20)31-19-8-6-5-7-9-19/h5-11,14-15,17,26-27H,12-13H2,1-4H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342610
PNG
(US9776990, Example 53 | methyl 3-(3-methyl-4-oxo-4...)
Show SMILES COC(=O)c1ccc(Oc2ccccc2)c(c1)-c1[nH]c(C)c2c1CCCC2=O
Show InChI InChI=1S/C23H21NO4/c1-14-21-17(9-6-10-19(21)25)22(24-14)18-13-15(23(26)27-2)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,24H,6,9-10H2,1-2H3
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342615
PNG
(1-(1,3-benzodioxol-5-yl)-3,6,6-trimethyl-2,5,6,7-t...)
Show SMILES Cc1[nH]c(c2CC(C)(C)CC(=O)c12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C18H19NO3/c1-10-16-12(7-18(2,3)8-13(16)20)17(19-10)11-4-5-14-15(6-11)22-9-21-14/h4-6,19H,7-9H2,1-3H3
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342576
PNG
(3-methyl-1-(naphthalen-1-yl)-2,5,6,7-tetrahydro-4H...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cccc2ccccc12
Show InChI InChI=1S/C19H17NO/c1-12-18-16(10-5-11-17(18)21)19(20-12)15-9-4-7-13-6-2-3-8-14(13)15/h2-4,6-9,20H,5,10-11H2,1H3
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342575
PNG
(1-[2-(benzyloxy)phenyl]-3-methyl-2,5,6,7-tetrahydr...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C22H21NO2/c1-15-21-18(11-7-12-19(21)24)22(23-15)17-10-5-6-13-20(17)25-14-16-8-3-2-4-9-16/h2-6,8-10,13,23H,7,11-12,14H2,1H3
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342608
PNG
(N-[4-(2,4-difluorophenoxy)-3-(3-methyl-4-oxo-4,5,6...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NC(=O)c2ccc[nH]2)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C26H21F2N3O3/c1-14-24-17(4-2-6-21(24)32)25(30-14)18-13-16(31-26(33)20-5-3-11-29-20)8-10-22(18)34-23-9-7-15(27)12-19(23)28/h3,5,7-13,29-30H,2,4,6H2,1H3,(H,31,33)
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342565
PNG
(3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindol-1...)
Show SMILES NC(=O)c1cccc(c1)-c1[nH]cc2c1CCCC2=O
Show InChI InChI=1S/C15H14N2O2/c16-15(19)10-4-1-3-9(7-10)14-11-5-2-6-13(18)12(11)8-17-14/h1,3-4,7-8,17H,2,5-6H2,(H2,16,19)
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342620
PNG
(3,6,6-trimethyl-1-(2-phenoxyphenyl)-2,5,6,7-tetrah...)
Show SMILES Cc1[nH]c(c2CC(C)(C)CC(=O)c12)-c1ccccc1Oc1ccccc1
Show InChI InChI=1S/C23H23NO2/c1-15-21-18(13-23(2,3)14-19(21)25)22(24-15)17-11-7-8-12-20(17)26-16-9-5-4-6-10-16/h4-12,24H,13-14H2,1-3H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342590
PNG
(3-methyl-1-{2-[2-(morpholin-4-yl)ethoxy]phenyl}-2,...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1OCCN1CCOCC1
Show InChI InChI=1S/C21H26N2O3/c1-15-20-17(6-4-7-18(20)24)21(22-15)16-5-2-3-8-19(16)26-14-11-23-9-12-25-13-10-23/h2-3,5,8,22H,4,6-7,9-14H2,1H3
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1.04E+3n/an/an/an/an/an/an/an/a



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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342614
PNG
(3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindol-1...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(ccc1Oc1ccccc1)C(=O)Nc1nccs1
Show InChI InChI=1S/C25H21N3O3S/c1-15-22-18(8-5-9-20(22)29)23(27-15)19-14-16(24(30)28-25-26-12-13-32-25)10-11-21(19)31-17-6-3-2-4-7-17/h2-4,6-7,10-14,27H,5,8-9H2,1H3,(H,26,28,30)
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1.07E+3n/an/an/an/an/an/an/an/a



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US Patent


Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342599
PNG
(N-[3-(2,3-dimethyl-4-oxo-4,5,6,7-tetrahydro-2H-iso...)
Show SMILES CC(=O)Nc1ccc(Oc2ccccc2)c(c1)-c1c2CCCC(=O)c2c(C)n1C
Show InChI InChI=1S/C24H24N2O3/c1-15-23-19(10-7-11-21(23)28)24(26(15)3)20-14-17(25-16(2)27)12-13-22(20)29-18-8-5-4-6-9-18/h4-6,8-9,12-14H,7,10-11H2,1-3H3,(H,25,27)
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1.09E+3n/an/an/an/an/an/an/an/a



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US Patent




US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342572
PNG
(1-(2-chlorophenyl)-3-methyl-2,5,6,7-tetrahydro-4H-...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1Cl
Show InChI InChI=1S/C15H14ClNO/c1-9-14-11(6-4-8-13(14)18)15(17-9)10-5-2-3-7-12(10)16/h2-3,5,7,17H,4,6,8H2,1H3
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1.14E+3n/an/an/an/an/an/an/an/a



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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342627
PNG
(3-methyl-1-(2-phenoxyphenyl)-6-(propan-2-yl)-2,5,6...)
Show SMILES CC(C)C1Cc2c([nH]c(C)c2C(=O)C1)-c1ccccc1Oc1ccccc1
Show InChI InChI=1/C24H25NO2/c1-15(2)17-13-20-23(21(26)14-17)16(3)25-24(20)19-11-7-8-12-22(19)27-18-9-5-4-6-10-18/h4-12,15,17,25H,13-14H2,1-3H3
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1.20E+3n/an/an/an/an/an/an/an/a



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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342581
PNG
(3-methyl-1-[2-(phenoxymethyl)phenyl]-2,5,6,7-tetra...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1COc1ccccc1
Show InChI InChI=1S/C22H21NO2/c1-15-21-19(12-7-13-20(21)24)22(23-15)18-11-6-5-8-16(18)14-25-17-9-3-2-4-10-17/h2-6,8-11,23H,7,12-14H2,1H3
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342587
PNG
(1-[2-(cyclopentylmethoxy)phenyl]-3-methyl-2,5,6,7-...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1OCC1CCCC1
Show InChI InChI=1S/C21H25NO2/c1-14-20-17(10-6-11-18(20)23)21(22-14)16-9-4-5-12-19(16)24-13-15-7-2-3-8-15/h4-5,9,12,15,22H,2-3,6-8,10-11,13H2,1H3
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1.25E+3n/an/an/an/an/an/an/an/a



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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342591
PNG
(3-methyl-1-[2-(pyridin-2-ylmethoxy)phenyl]-2,5,6,7...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1OCc1ccccn1
Show InChI InChI=1S/C21H20N2O2/c1-14-20-17(9-6-10-18(20)24)21(23-14)16-8-2-3-11-19(16)25-13-15-7-4-5-12-22-15/h2-5,7-8,11-12,23H,6,9-10,13H2,1H3
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1.35E+3n/an/an/an/an/an/an/an/a



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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342561
PNG
(4-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindol-1...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H16N2O3S/c1-9-14-12(3-2-4-13(14)18)15(17-9)10-5-7-11(8-6-10)21(16,19)20/h5-8,17H,2-4H2,1H3,(H2,16,19,20)
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1.40E+3n/an/an/an/an/an/an/an/a



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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342564
PNG
(3-methyl-1-[4-(methylsulfonyl)phenyl]-2,5,6,7-tetr...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]cc2c1CCCC2=O
Show InChI InChI=1S/C15H15NO3S/c1-20(18,19)11-7-5-10(6-8-11)15-12-3-2-4-14(17)13(12)9-16-15/h5-9,16H,2-4H2,1H3
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1.43E+3n/an/an/an/an/an/an/an/a



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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342619
PNG
(1-[2-(benzyloxy)phenyl]-3,6,6-trimethyl-2,5,6,7-te...)
Show SMILES Cc1[nH]c(c2CC(C)(C)CC(=O)c12)-c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C24H25NO2/c1-16-22-19(13-24(2,3)14-20(22)26)23(25-16)18-11-7-8-12-21(18)27-15-17-9-5-4-6-10-17/h4-12,25H,13-15H2,1-3H3
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1.50E+3n/an/an/an/an/an/an/an/a



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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342618
PNG
(3,6,6-trimethyl-1-[2-(morpholin-4-yl)phenyl]-2,5,6...)
Show SMILES Cc1[nH]c(c2CC(C)(C)CC(=O)c12)-c1ccccc1N1CCOCC1
Show InChI InChI=1S/C21H26N2O2/c1-14-19-16(12-21(2,3)13-18(19)24)20(22-14)15-6-4-5-7-17(15)23-8-10-25-11-9-23/h4-7,22H,8-13H2,1-3H3
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1.68E+3n/an/an/an/an/an/an/an/a



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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342619
PNG
(1-[2-(benzyloxy)phenyl]-3,6,6-trimethyl-2,5,6,7-te...)
Show SMILES Cc1[nH]c(c2CC(C)(C)CC(=O)c12)-c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C24H25NO2/c1-16-22-19(13-24(2,3)14-20(22)26)23(25-16)18-11-7-8-12-21(18)27-15-17-9-5-4-6-10-17/h4-12,25H,13-15H2,1-3H3
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1.75E+3n/an/an/an/an/an/an/an/a



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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342577
PNG
(1-(3-methoxyphenyl)-3-methyl-2,5,6,7-tetrahydro-4H...)
Show SMILES COc1cccc(c1)-c1[nH]c(C)c2c1CCCC2=O
Show InChI InChI=1S/C16H17NO2/c1-10-15-13(7-4-8-14(15)18)16(17-10)11-5-3-6-12(9-11)19-2/h3,5-6,9,17H,4,7-8H2,1-2H3
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1.77E+3n/an/an/an/an/an/an/an/a



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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342566
PNG
(1-(1H-indol-4-yl)-3-methyl-2,5,6,7-tetrahydro-4H-i...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cccc2[nH]ccc12
Show InChI InChI=1S/C17H16N2O/c1-10-16-13(5-3-7-15(16)20)17(19-10)12-4-2-6-14-11(12)8-9-18-14/h2,4,6,8-9,18-19H,3,5,7H2,1H3
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1.79E+3n/an/an/an/an/an/an/an/a



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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342600
PNG
(1-[5-amino-2-(phenylsulfanyl)phenyl]-3-methyl-2,5,...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(N)ccc1Sc1ccccc1
Show InChI InChI=1S/C21H20N2OS/c1-13-20-16(8-5-9-18(20)24)21(23-13)17-12-14(22)10-11-19(17)25-15-6-3-2-4-7-15/h2-4,6-7,10-12,23H,5,8-9,22H2,1H3
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1.82E+3n/an/an/an/an/an/an/an/a



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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342578
PNG
(1-(1H-benzimidazol-4-yl)-3-methyl-2,5,6,7-tetrahyd...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cccc2[nH]cnc12
Show InChI InChI=1S/C16H15N3O/c1-9-14-10(4-3-7-13(14)20)15(19-9)11-5-2-6-12-16(11)18-8-17-12/h2,5-6,8,19H,3-4,7H2,1H3,(H,17,18)
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1.86E+3n/an/an/an/an/an/an/an/a



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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342567
PNG
(1-(4-methoxyphenyl)-3-methyl-2,5,6,7-tetrahydro-4H...)
Show SMILES COc1ccc(cc1)-c1[nH]c(C)c2c1CCCC2=O
Show InChI InChI=1S/C16H17NO2/c1-10-15-13(4-3-5-14(15)18)16(17-10)11-6-8-12(19-2)9-7-11/h6-9,17H,3-5H2,1-2H3
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1.88E+3n/an/an/an/an/an/an/an/a



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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342589
PNG
(3-methyl-1-[2-(tetrahydro-2H-pyran-4-ylmethoxy)phe...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1OCC1CCOCC1
Show InChI InChI=1S/C21H25NO3/c1-14-20-17(6-4-7-18(20)23)21(22-14)16-5-2-3-8-19(16)25-13-15-9-11-24-12-10-15/h2-3,5,8,15,22H,4,6-7,9-13H2,1H3
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1.94E+3n/an/an/an/an/an/an/an/a



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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342575
PNG
(1-[2-(benzyloxy)phenyl]-3-methyl-2,5,6,7-tetrahydr...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C22H21NO2/c1-15-21-18(11-7-12-19(21)24)22(23-15)17-10-5-6-13-20(17)25-14-16-8-3-2-4-9-16/h2-6,8-10,13,23H,7,11-12,14H2,1H3
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2.03E+3n/an/an/an/an/an/an/an/a



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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342561
PNG
(4-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindol-1...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H16N2O3S/c1-9-14-12(3-2-4-13(14)18)15(17-9)10-5-7-11(8-6-10)21(16,19)20/h5-8,17H,2-4H2,1H3,(H2,16,19,20)
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342626
PNG
(N-{3-[3-methyl-6-(2-methylpropyl)-4-oxo-4,5,6,7-te...)
Show SMILES CC(C)CC1Cc2c([nH]c(C)c2C(=O)C1)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1/C26H30N2O4S/c1-16(2)12-18-13-22-25(23(29)14-18)17(3)27-26(22)21-15-19(28-33(4,30)31)10-11-24(21)32-20-8-6-5-7-9-20/h5-11,15-16,18,27-28H,12-14H2,1-4H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342618
PNG
(3,6,6-trimethyl-1-[2-(morpholin-4-yl)phenyl]-2,5,6...)
Show SMILES Cc1[nH]c(c2CC(C)(C)CC(=O)c12)-c1ccccc1N1CCOCC1
Show InChI InChI=1S/C21H26N2O2/c1-14-19-16(12-21(2,3)13-18(19)24)20(22-14)15-6-4-5-7-17(15)23-8-10-25-11-9-23/h4-7,22H,8-13H2,1-3H3
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342627
PNG
(3-methyl-1-(2-phenoxyphenyl)-6-(propan-2-yl)-2,5,6...)
Show SMILES CC(C)C1Cc2c([nH]c(C)c2C(=O)C1)-c1ccccc1Oc1ccccc1
Show InChI InChI=1/C24H25NO2/c1-15(2)17-13-20-23(21(26)14-17)16(3)25-24(20)19-11-7-8-12-22(19)27-18-9-5-4-6-10-18/h4-12,15,17,25H,13-14H2,1-3H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342581
PNG
(3-methyl-1-[2-(phenoxymethyl)phenyl]-2,5,6,7-tetra...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1COc1ccccc1
Show InChI InChI=1S/C22H21NO2/c1-15-21-19(12-7-13-20(21)24)22(23-15)18-11-6-5-8-16(18)14-25-17-9-3-2-4-10-17/h2-6,8-11,23H,7,12-14H2,1H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342579
PNG
(1-(1H-indol-7-yl)-3-methyl-2,5,6,7-tetrahydro-4H-i...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cccc2cc[nH]c12
Show InChI InChI=1S/C17H16N2O/c1-10-15-12(5-3-7-14(15)20)17(19-10)13-6-2-4-11-8-9-18-16(11)13/h2,4,6,8-9,18-19H,3,5,7H2,1H3
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2.47E+3n/an/an/an/an/an/an/an/a



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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342560
PNG
(3-methyl-1-(4-methylphenyl)-2,5,6,7-tetrahydro-4H-...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccc(C)cc1
Show InChI InChI=1S/C16H17NO/c1-10-6-8-12(9-7-10)16-13-4-3-5-14(18)15(13)11(2)17-16/h6-9,17H,3-5H2,1-2H3
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2.49E+3n/an/an/an/an/an/an/an/a



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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342616
PNG
(3,6,6-trimethyl-1-phenyl-2,5,6,7-tetrahydro-4H-iso...)
Show SMILES Cc1[nH]c(c2CC(C)(C)CC(=O)c12)-c1ccccc1
Show InChI InChI=1S/C17H19NO/c1-11-15-13(9-17(2,3)10-14(15)19)16(18-11)12-7-5-4-6-8-12/h4-8,18H,9-10H2,1-3H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342591
PNG
(3-methyl-1-[2-(pyridin-2-ylmethoxy)phenyl]-2,5,6,7...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1OCc1ccccn1
Show InChI InChI=1S/C21H20N2O2/c1-14-20-17(9-6-10-18(20)24)21(23-14)16-8-2-3-11-19(16)25-13-15-7-4-5-12-22-15/h2-5,7-8,11-12,23H,6,9-10,13H2,1H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342562
PNG
(1-(2-methoxyphenyl)-3-methyl-2,5,6,7-tetrahydro-4H...)
Show SMILES COc1ccccc1-c1[nH]c(C)c2c1CCCC2=O
Show InChI InChI=1S/C16H17NO2/c1-10-15-12(7-5-8-13(15)18)16(17-10)11-6-3-4-9-14(11)19-2/h3-4,6,9,17H,5,7-8H2,1-2H3
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2.70E+3n/an/an/an/an/an/an/an/a



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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342617
PNG
(1-(2,5-dimethylphenyl)-3,6,6-trimethyl-2,5,6,7-tet...)
Show SMILES Cc1[nH]c(c2CC(C)(C)CC(=O)c12)-c1cc(C)ccc1C
Show InChI InChI=1S/C19H23NO/c1-11-6-7-12(2)14(8-11)18-15-9-19(4,5)10-16(21)17(15)13(3)20-18/h6-8,20H,9-10H2,1-5H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342584
PNG
(1-[2-(furan-2-yl)phenyl]-3-methyl-2,5,6,7-tetrahyd...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1-c1ccco1
Show InChI InChI=1S/C19H17NO2/c1-12-18-15(8-4-9-16(18)21)19(20-12)14-7-3-2-6-13(14)17-10-5-11-22-17/h2-3,5-7,10-11,20H,4,8-9H2,1H3
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342568
PNG
(1-(3,4-dimethylphenyl)-3-methyl-2,5,6,7-tetrahydro...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccc(C)c(C)c1
Show InChI InChI=1S/C17H19NO/c1-10-7-8-13(9-11(10)2)17-14-5-4-6-15(19)16(14)12(3)18-17/h7-9,18H,4-6H2,1-3H3
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342586
PNG
(3-methyl-1-[2-(tetrahydrofuran-3-ylmethoxy)phenyl]...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1OCC1CCOC1
Show InChI InChI=1/C20H23NO3/c1-13-19-16(6-4-7-17(19)22)20(21-13)15-5-2-3-8-18(15)24-12-14-9-10-23-11-14/h2-3,5,8,14,21H,4,6-7,9-12H2,1H3
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2.92E+3n/an/an/an/an/an/an/an/a



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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342493
PNG
(3-methyl-1-phenyl-2,5,6,7-tetrahydro-4H-isoindol-4...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1
Show InChI InChI=1S/C15H15NO/c1-10-14-12(8-5-9-13(14)17)15(16-10)11-6-3-2-4-7-11/h2-4,6-7,16H,5,8-9H2,1H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342565
PNG
(3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindol-1...)
Show SMILES NC(=O)c1cccc(c1)-c1[nH]cc2c1CCCC2=O
Show InChI InChI=1S/C15H14N2O2/c16-15(19)10-4-1-3-9(7-10)14-11-5-2-6-13(18)12(11)8-17-14/h1,3-4,7-8,17H,2,5-6H2,(H2,16,19)
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342616
PNG
(3,6,6-trimethyl-1-phenyl-2,5,6,7-tetrahydro-4H-iso...)
Show SMILES Cc1[nH]c(c2CC(C)(C)CC(=O)c12)-c1ccccc1
Show InChI InChI=1S/C17H19NO/c1-11-15-13(9-17(2,3)10-14(15)19)16(18-11)12-7-5-4-6-8-12/h4-8,18H,9-10H2,1-3H3
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342617
PNG
(1-(2,5-dimethylphenyl)-3,6,6-trimethyl-2,5,6,7-tet...)
Show SMILES Cc1[nH]c(c2CC(C)(C)CC(=O)c12)-c1cc(C)ccc1C
Show InChI InChI=1S/C19H23NO/c1-11-6-7-12(2)14(8-11)18-15-9-19(4,5)10-16(21)17(15)13(3)20-18/h6-8,20H,9-10H2,1-5H3
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342625
PNG
(3-methyl-6-(2-methylpropyl)-1-(2-phenoxyphenyl)-2,...)
Show SMILES CC(C)CC1Cc2c([nH]c(C)c2C(=O)C1)-c1ccccc1Oc1ccccc1
Show InChI InChI=1/C25H27NO2/c1-16(2)13-18-14-21-24(22(27)15-18)17(3)26-25(21)20-11-7-8-12-23(20)28-19-9-5-4-6-10-19/h4-12,16,18,26H,13-15H2,1-3H3
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342610
PNG
(US9776990, Example 53 | methyl 3-(3-methyl-4-oxo-4...)
Show SMILES COC(=O)c1ccc(Oc2ccccc2)c(c1)-c1[nH]c(C)c2c1CCCC2=O
Show InChI InChI=1S/C23H21NO4/c1-14-21-17(9-6-10-19(21)25)22(24-14)18-13-15(23(26)27-2)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,24H,6,9-10H2,1-2H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342493
PNG
(3-methyl-1-phenyl-2,5,6,7-tetrahydro-4H-isoindol-4...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1
Show InChI InChI=1S/C15H15NO/c1-10-14-12(8-5-9-13(14)17)15(16-10)11-6-3-2-4-7-11/h2-4,6-7,16H,5,8-9H2,1H3
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3.68E+3n/an/an/an/an/an/an/an/a



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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342559
PNG
(1-(2-aminophenyl)-3-methyl-2,5,6,7-tetrahydro-4H-i...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1N
Show InChI InChI=1S/C15H16N2O/c1-9-14-11(6-4-8-13(14)18)15(17-9)10-5-2-3-7-12(10)16/h2-3,5,7,17H,4,6,8,16H2,1H3
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3.73E+3n/an/an/an/an/an/an/an/a



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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342573
PNG
(1-(1,3-benzodioxol-5-yl)-3-methyl-2,5,6,7-tetrahyd...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C16H15NO3/c1-9-15-11(3-2-4-12(15)18)16(17-9)10-5-6-13-14(7-10)20-8-19-13/h5-7,17H,2-4,8H2,1H3
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3.77E+3n/an/an/an/an/an/an/an/a



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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342564
PNG
(3-methyl-1-[4-(methylsulfonyl)phenyl]-2,5,6,7-tetr...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]cc2c1CCCC2=O
Show InChI InChI=1S/C15H15NO3S/c1-20(18,19)11-7-5-10(6-8-11)15-12-3-2-4-14(17)13(12)9-16-15/h5-9,16H,2-4H2,1H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342566
PNG
(1-(1H-indol-4-yl)-3-methyl-2,5,6,7-tetrahydro-4H-i...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cccc2[nH]ccc12
Show InChI InChI=1S/C17H16N2O/c1-10-16-13(5-3-7-15(16)20)17(19-10)12-4-2-6-14-11(12)8-9-18-14/h2,4,6,8-9,18-19H,3,5,7H2,1H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342594
PNG
(3-methyl-1-[2-(pyridin-3-ylmethoxy)phenyl]-2,5,6,7...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1OCc1cccnc1
Show InChI InChI=1S/C21H20N2O2/c1-14-20-17(8-4-9-18(20)24)21(23-14)16-7-2-3-10-19(16)25-13-15-6-5-11-22-12-15/h2-3,5-7,10-12,23H,4,8-9,13H2,1H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342582
PNG
(3-methyl-1-{2-[(2-methylphenoxy)methyl]phenyl}-2,5...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1COc1ccccc1C
Show InChI InChI=1S/C23H23NO2/c1-15-8-3-6-13-21(15)26-14-17-9-4-5-10-18(17)23-19-11-7-12-20(25)22(19)16(2)24-23/h3-6,8-10,13,24H,7,11-12,14H2,1-2H3
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342577
PNG
(1-(3-methoxyphenyl)-3-methyl-2,5,6,7-tetrahydro-4H...)
Show SMILES COc1cccc(c1)-c1[nH]c(C)c2c1CCCC2=O
Show InChI InChI=1S/C16H17NO2/c1-10-15-13(7-4-8-14(15)18)16(17-10)11-5-3-6-12(9-11)19-2/h3,5-6,9,17H,4,7-8H2,1-2H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342588
PNG
(3-methyl-1-[2-(tetrahydrofuran-2-ylmethoxy)phenyl]...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1OCC1CCCO1
Show InChI InChI=1/C20H23NO3/c1-13-19-16(8-4-9-17(19)22)20(21-13)15-7-2-3-10-18(15)24-12-14-6-5-11-23-14/h2-3,7,10,14,21H,4-6,8-9,11-12H2,1H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342587
PNG
(1-[2-(cyclopentylmethoxy)phenyl]-3-methyl-2,5,6,7-...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1OCC1CCCC1
Show InChI InChI=1S/C21H25NO2/c1-14-20-17(10-6-11-18(20)23)21(22-14)16-9-4-5-12-19(16)24-13-15-7-2-3-8-15/h4-5,9,12,15,22H,2-3,6-8,10-11,13H2,1H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342595
PNG
(1-[2-(1H-indazol-5-ylmethoxy)phenyl]-3-methyl-2,5,...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1OCc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C23H21N3O2/c1-14-22-18(6-4-7-20(22)27)23(25-14)17-5-2-3-8-21(17)28-13-15-9-10-19-16(11-15)12-24-26-19/h2-3,5,8-12,25H,4,6-7,13H2,1H3,(H,24,26)
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342595
PNG
(1-[2-(1H-indazol-5-ylmethoxy)phenyl]-3-methyl-2,5,...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1OCc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C23H21N3O2/c1-14-22-18(6-4-7-20(22)27)23(25-14)17-5-2-3-8-21(17)28-13-15-9-10-19-16(11-15)12-24-26-19/h2-3,5,8-12,25H,4,6-7,13H2,1H3,(H,24,26)
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342585
PNG
(1-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydro-4H...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1O
Show InChI InChI=1S/C15H15NO2/c1-9-14-11(6-4-8-13(14)18)15(16-9)10-5-2-3-7-12(10)17/h2-3,5,7,16-17H,4,6,8H2,1H3
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342567
PNG
(1-(4-methoxyphenyl)-3-methyl-2,5,6,7-tetrahydro-4H...)
Show SMILES COc1ccc(cc1)-c1[nH]c(C)c2c1CCCC2=O
Show InChI InChI=1S/C16H17NO2/c1-10-15-13(4-3-5-14(15)18)16(17-10)11-6-8-12(19-2)9-7-11/h6-9,17H,3-5H2,1-2H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342574
PNG
(1-(3,5-dimethylphenyl)-3-methyl-2,5,6,7-tetrahydro...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C17H19NO/c1-10-7-11(2)9-13(8-10)17-14-5-4-6-15(19)16(14)12(3)18-17/h7-9,18H,4-6H2,1-3H3
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342578
PNG
(1-(1H-benzimidazol-4-yl)-3-methyl-2,5,6,7-tetrahyd...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cccc2[nH]cnc12
Show InChI InChI=1S/C16H15N3O/c1-9-14-10(4-3-7-13(14)20)15(19-9)11-5-2-6-12-16(11)18-8-17-12/h2,5-6,8,19H,3-4,7H2,1H3,(H,17,18)
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342583
PNG
(2-[2-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1CN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C24H20N2O3/c1-14-21-19(11-6-12-20(21)27)22(25-14)16-8-3-2-7-15(16)13-26-23(28)17-9-4-5-10-18(17)24(26)29/h2-5,7-10,25H,6,11-13H2,1H3
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6.22E+3n/an/an/an/an/an/an/an/a



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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342584
PNG
(1-[2-(furan-2-yl)phenyl]-3-methyl-2,5,6,7-tetrahyd...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1-c1ccco1
Show InChI InChI=1S/C19H17NO2/c1-12-18-15(8-4-9-16(18)21)19(20-12)14-7-3-2-6-13(14)17-10-5-11-22-17/h2-3,5-7,10-11,20H,4,8-9H2,1H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342629
PNG
(N-[3-(3-methyl-4-oxo-6-phenyl-4,5,6,7-tetrahydro-2...)
Show SMILES Cc1[nH]c(c2CC(CC(=O)c12)c1ccccc1)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1/C28H26N2O4S/c1-18-27-24(15-20(16-25(27)31)19-9-5-3-6-10-19)28(29-18)23-17-21(30-35(2,32)33)13-14-26(23)34-22-11-7-4-8-12-22/h3-14,17,20,29-30H,15-16H2,1-2H3
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7.28E+3n/an/an/an/an/an/an/an/a



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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342569
PNG
(1-(4-chlorophenyl)-3-methyl-2,5,6,7-tetrahydro-4H-...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H14ClNO/c1-9-14-12(3-2-4-13(14)18)15(17-9)10-5-7-11(16)8-6-10/h5-8,17H,2-4H2,1H3
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342590
PNG
(3-methyl-1-{2-[2-(morpholin-4-yl)ethoxy]phenyl}-2,...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1OCCN1CCOCC1
Show InChI InChI=1S/C21H26N2O3/c1-15-20-17(6-4-7-18(20)24)21(22-15)16-5-2-3-8-19(16)26-14-11-23-9-12-25-13-10-23/h2-3,5,8,22H,4,6-7,9-14H2,1H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342579
PNG
(1-(1H-indol-7-yl)-3-methyl-2,5,6,7-tetrahydro-4H-i...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cccc2cc[nH]c12
Show InChI InChI=1S/C17H16N2O/c1-10-15-12(5-3-7-14(15)20)17(19-10)13-6-2-4-11-8-9-18-16(11)13/h2,4,6,8-9,18-19H,3,5,7H2,1H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342573
PNG
(1-(1,3-benzodioxol-5-yl)-3-methyl-2,5,6,7-tetrahyd...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C16H15NO3/c1-9-15-11(3-2-4-12(15)18)16(17-9)10-5-6-13-14(7-10)20-8-19-13/h5-7,17H,2-4,8H2,1H3
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8.42E+3n/an/an/an/an/an/an/an/a



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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342593
PNG
(1-[2-(1-benzothiophen-7-ylmethoxy)phenyl]-3-methyl...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1OCc1cccc2ccsc12
Show InChI InChI=1S/C24H21NO2S/c1-15-22-19(9-5-10-20(22)26)23(25-15)18-8-2-3-11-21(18)27-14-17-7-4-6-16-12-13-28-24(16)17/h2-4,6-8,11-13,25H,5,9-10,14H2,1H3
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8.83E+3n/an/an/an/an/an/an/an/a



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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342580
PNG
(3-methyl-1-(2-{[3-(trifluoromethyl)phenoxy]methyl}...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1COc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H20F3NO2/c1-14-21-19(10-5-11-20(21)28)22(27-14)18-9-3-2-6-15(18)13-29-17-8-4-7-16(12-17)23(24,25)26/h2-4,6-9,12,27H,5,10-11,13H2,1H3
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8.92E+3n/an/an/an/an/an/an/an/a



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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342570
PNG
(1-[3-(benzyloxy)phenyl]-3-methyl-2,5,6,7-tetrahydr...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C22H21NO2/c1-15-21-19(11-6-12-20(21)24)22(23-15)17-9-5-10-18(13-17)25-14-16-7-3-2-4-8-16/h2-5,7-10,13,23H,6,11-12,14H2,1H3
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342580
PNG
(3-methyl-1-(2-{[3-(trifluoromethyl)phenoxy]methyl}...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1COc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H20F3NO2/c1-14-21-19(10-5-11-20(21)28)22(27-14)18-9-3-2-6-15(18)13-29-17-8-4-7-16(12-17)23(24,25)26/h2-4,6-9,12,27H,5,10-11,13H2,1H3
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342592
PNG
(3-methyl-1-[2-(quinolin-8-ylmethoxy)phenyl]-2,5,6,...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1OCc1cccc2cccnc12
Show InChI InChI=1S/C25H22N2O2/c1-16-23-20(11-5-12-21(23)28)25(27-16)19-10-2-3-13-22(19)29-15-18-8-4-7-17-9-6-14-26-24(17)18/h2-4,6-10,13-14,27H,5,11-12,15H2,1H3
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Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342593
PNG
(1-[2-(1-benzothiophen-7-ylmethoxy)phenyl]-3-methyl...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1OCc1cccc2ccsc12
Show InChI InChI=1S/C24H21NO2S/c1-15-22-19(9-5-10-20(22)26)23(25-15)18-8-2-3-11-21(18)27-14-17-7-4-6-16-12-13-28-24(16)17/h2-4,6-8,11-13,25H,5,9-10,14H2,1H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342562
PNG
(1-(2-methoxyphenyl)-3-methyl-2,5,6,7-tetrahydro-4H...)
Show SMILES COc1ccccc1-c1[nH]c(C)c2c1CCCC2=O
Show InChI InChI=1S/C16H17NO2/c1-10-15-12(7-5-8-13(15)18)16(17-10)11-6-3-4-9-14(11)19-2/h3-4,6,9,17H,5,7-8H2,1-2H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342568
PNG
(1-(3,4-dimethylphenyl)-3-methyl-2,5,6,7-tetrahydro...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccc(C)c(C)c1
Show InChI InChI=1S/C17H19NO/c1-10-7-8-13(9-11(10)2)17-14-5-4-6-15(19)16(14)12(3)18-17/h7-9,18H,4-6H2,1-3H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342583
PNG
(2-[2-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1CN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C24H20N2O3/c1-14-21-19(11-6-12-20(21)27)22(25-14)16-8-3-2-7-15(16)13-26-23(28)17-9-4-5-10-18(17)24(26)29/h2-5,7-10,25H,6,11-13H2,1H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342592
PNG
(3-methyl-1-[2-(quinolin-8-ylmethoxy)phenyl]-2,5,6,...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1OCc1cccc2cccnc12
Show InChI InChI=1S/C25H22N2O2/c1-16-23-20(11-5-12-21(23)28)25(27-16)19-10-2-3-13-22(19)29-15-18-8-4-7-17-9-6-14-26-24(17)18/h2-4,6-10,13-14,27H,5,11-12,15H2,1H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342559
PNG
(1-(2-aminophenyl)-3-methyl-2,5,6,7-tetrahydro-4H-i...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1N
Show InChI InChI=1S/C15H16N2O/c1-9-14-11(6-4-8-13(14)18)15(17-9)10-5-2-3-7-12(10)16/h2-3,5,7,17H,4,6,8,16H2,1H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342585
PNG
(1-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydro-4H...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1O
Show InChI InChI=1S/C15H15NO2/c1-9-14-11(6-4-8-13(14)18)15(16-9)10-5-2-3-7-12(10)17/h2-3,5,7,16-17H,4,6,8H2,1H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342582
PNG
(3-methyl-1-{2-[(2-methylphenoxy)methyl]phenyl}-2,5...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1COc1ccccc1C
Show InChI InChI=1S/C23H23NO2/c1-15-8-3-6-13-21(15)26-14-17-9-4-5-10-18(17)23-19-11-7-12-20(25)22(19)16(2)24-23/h3-6,8-10,13,24H,7,11-12,14H2,1-2H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342560
PNG
(3-methyl-1-(4-methylphenyl)-2,5,6,7-tetrahydro-4H-...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccc(C)cc1
Show InChI InChI=1S/C16H17NO/c1-10-6-8-12(9-7-10)16-13-4-3-5-14(18)15(13)11(2)17-16/h6-9,17H,3-5H2,1-2H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342574
PNG
(1-(3,5-dimethylphenyl)-3-methyl-2,5,6,7-tetrahydro...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C17H19NO/c1-10-7-11(2)9-13(8-10)17-14-5-4-6-15(19)16(14)12(3)18-17/h7-9,18H,4-6H2,1-3H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342576
PNG
(3-methyl-1-(naphthalen-1-yl)-2,5,6,7-tetrahydro-4H...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cccc2ccccc12
Show InChI InChI=1S/C19H17NO/c1-12-18-16(10-5-11-17(18)21)19(20-12)15-9-4-7-13-6-2-3-8-14(13)15/h2-4,6-9,20H,5,10-11H2,1H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342625
PNG
(3-methyl-6-(2-methylpropyl)-1-(2-phenoxyphenyl)-2,...)
Show SMILES CC(C)CC1Cc2c([nH]c(C)c2C(=O)C1)-c1ccccc1Oc1ccccc1
Show InChI InChI=1/C25H27NO2/c1-16(2)13-18-14-21-24(22(27)15-18)17(3)26-25(21)20-11-7-8-12-23(20)28-19-9-5-4-6-10-19/h4-12,16,18,26H,13-15H2,1-3H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342570
PNG
(1-[3-(benzyloxy)phenyl]-3-methyl-2,5,6,7-tetrahydr...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C22H21NO2/c1-15-21-19(11-6-12-20(21)24)22(23-15)17-9-5-10-18(13-17)25-14-16-7-3-2-4-8-16/h2-5,7-10,13,23H,6,11-12,14H2,1H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342569
PNG
(1-(4-chlorophenyl)-3-methyl-2,5,6,7-tetrahydro-4H-...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H14ClNO/c1-9-14-12(3-2-4-13(14)18)15(17-9)10-5-7-11(16)8-6-10/h5-8,17H,2-4H2,1H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342614
PNG
(3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindol-1...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(ccc1Oc1ccccc1)C(=O)Nc1nccs1
Show InChI InChI=1S/C25H21N3O3S/c1-15-22-18(8-5-9-20(22)29)23(27-15)19-14-16(24(30)28-25-26-12-13-32-25)10-11-21(19)31-17-6-3-2-4-7-17/h2-4,6-7,10-14,27H,5,8-9H2,1H3,(H,26,28,30)
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342572
PNG
(1-(2-chlorophenyl)-3-methyl-2,5,6,7-tetrahydro-4H-...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1Cl
Show InChI InChI=1S/C15H14ClNO/c1-9-14-11(6-4-8-13(14)18)15(17-9)10-5-2-3-7-12(10)16/h2-3,5,7,17H,4,6,8H2,1H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342629
PNG
(N-[3-(3-methyl-4-oxo-6-phenyl-4,5,6,7-tetrahydro-2...)
Show SMILES Cc1[nH]c(c2CC(CC(=O)c12)c1ccccc1)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1/C28H26N2O4S/c1-18-27-24(15-20(16-25(27)31)19-9-5-3-6-10-19)28(29-18)23-17-21(30-35(2,32)33)13-14-26(23)34-22-11-7-4-8-12-22/h3-14,17,20,29-30H,15-16H2,1-2H3
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US Patent US9776990 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.049
BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%