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Compile Data Set for Download or QSAR

Found 892 hits of ic50 data for polymerid = 6886   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM297163
PNG
(2-{8-Fluoro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-tri...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(c(F)cc21)C(C)(C)O |r|
Show InChI InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)21-14-26-27(32-17-21)22-15-24(31)23(30(2,3)37)16-25(22)36(26)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM439497
PNG
(US10633379, Example 35 | US10633379, Example 82)
Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cc(F)cc1C)C(C)(C)O
Show InChI InChI=1S/C28H30FN3O4/c1-7-30-26(33)22-13-20-21(14-32(6)27(34)24(20)31-22)19-12-17(28(4,5)35)8-9-23(19)36-25-15(2)10-18(29)11-16(25)3/h8-14,31,35H,7H2,1-6H3,(H,30,33)
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM297146
PNG
(2-{3-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r|
Show InChI InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-16-26-27(31-18-22)24-11-10-23(30(2,3)36)17-25(24)35(26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human BRD2 measured by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM296886
PNG
(2-[3-(Dimethyl-1,2-oxazol-4-yl)-5-[oxan-4-yl(pheny...)
Show SMILES Cc1noc(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r|
Show InChI InChI=1S/C31H33N3O3/c1-19-28(20(2)37-33-19)23-16-27-29(32-18-23)25-11-10-24(31(3,4)35)17-26(25)34(27)30(21-8-6-5-7-9-21)22-12-14-36-15-13-22/h5-11,16-18,22,30,35H,12-15H2,1-4H3/t30-/m1/s1
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TBA

Assay Description
Inhibition of human BRD2 measured by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50576438
PNG
(CHEMBL4869149)
Show SMILES [H][C@@]12C[C@@H](O)C[C@]1([H])[C@H]2NC(=O)c1cc2c(OC[C@@]2(C)c2ccccc2)c(c1)C(=O)NC |r|
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n/an/a 2.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human BRD2 BD2 (348 to 455 residues) expressed in bacterial expression system by bromoscan assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM192755
PNG
(TG101209 | US11279703, TABLE 6.171 | US11643396, E...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C)c(Nc3cccc(c3)S(=O)(=O)NC(C)(C)C)n2)cc1
Show InChI InChI=1S/C26H35N7O2S/c1-19-18-27-25(29-20-9-11-22(12-10-20)33-15-13-32(5)14-16-33)30-24(19)28-21-7-6-8-23(17-21)36(34,35)31-26(2,3)4/h6-12,17-18,31H,13-16H2,1-5H3,(H2,27,28,29,30)
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2833WX4
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50558065
PNG
(CHEMBL4780530)
Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2cc(ccc2-n2c(C)nnc12)-c1ccc(N)nc1 |r|
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TBA

Assay Description
Inhibition of BRD2 BD1 (unknown origin) using biotinylated JQ1 analog as substrate measured after 20 mins by AlphaLISA assay


Citation and Details

Article DOI: 10.1021/ml500411h
BindingDB Entry DOI: 10.7270/Q2DV1PK7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50558065
PNG
(CHEMBL4780530)
Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2cc(ccc2-n2c(C)nnc12)-c1ccc(N)nc1 |r|
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TBA

Assay Description
Inhibition of BRD2 BD2 (unknown origin) using biotinylated JQ1 analog as substrate measured after 20 mins by AlphaLISA assay


Citation and Details

Article DOI: 10.1021/ml500411h
BindingDB Entry DOI: 10.7270/Q2DV1PK7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM313791
PNG
(US10167292, Example 35)
Show SMILES C[C@H](NC(=O)c1ccc2-c3c(C)nnn3CCN(c3ccc(Cl)cc3)c2c1)c1ccccc1 |r|
Show InChI InChI=1S/C26H24ClN5O/c1-17(19-6-4-3-5-7-19)28-26(33)20-8-13-23-24(16-20)31(22-11-9-21(27)10-12-22)14-15-32-25(23)18(2)29-30-32/h3-13,16-17H,14-15H2,1-2H3,(H,28,33)/t17-/m0/s1
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Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd2 bromodomain 2 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...


ACS Med Chem Lett 8: 1298-1303 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50459819
PNG
(CHEMBL4228445)
Show SMILES CCn1nc(cc1Nc1nc(nc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12)C(=O)NC)C1CC1 |(34.96,-28.14,;33.49,-28.62,;32.34,-27.6,;32.49,-26.07,;31.08,-25.45,;30.06,-26.6,;30.85,-27.93,;30.23,-29.34,;31.14,-30.58,;32.66,-30.41,;33.58,-31.65,;32.96,-33.05,;31.44,-33.22,;30.55,-34.48,;29.08,-34.01,;27.74,-34.79,;26.4,-34.02,;25.07,-34.79,;24.91,-36.32,;26.05,-37.35,;23.4,-36.64,;22.63,-35.31,;23.67,-34.16,;23.35,-32.66,;26.4,-32.47,;25.07,-31.7,;25.07,-30.16,;27.73,-31.7,;29.07,-32.47,;30.53,-31.98,;35.11,-31.48,;35.73,-30.07,;36.02,-32.72,;35.4,-34.13,;30.74,-23.95,;31.21,-22.48,;29.7,-22.81,)|
Show InChI InChI=1S/C26H28N8O3/c1-6-34-20(11-17(32-34)14-7-8-14)29-24-22-15-10-19(36-5)16(21-12(2)33-37-13(21)3)9-18(15)28-23(22)30-25(31-24)26(35)27-4/h9-11,14H,6-8H2,1-5H3,(H,27,35)(H2,28,29,30,31)
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n/an/a 3.10n/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of FAM-labeled ZBA248 binding to recombinant N-terminal His6-tagged BRD2 bromodomain 1 (72 to 205 residues) (unknown origin) expressed in ...


J Med Chem 61: 462-481 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01816
BindingDB Entry DOI: 10.7270/Q2CV4MD0
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50028142
PNG
(CHEMBL2177300)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human BRD2 bromodomain 2 by BROMOscan assay


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
BindingDB Entry DOI: 10.7270/Q23R0VGR
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50520653
PNG
(CHEMBL4555209)
Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#Cc1cnn(C)c1
Show InChI InChI=1S/C22H19N5OS/c1-15-24-25-21-14-28-13-19-18(10-16-6-4-3-5-7-16)20(29-22(19)27(15)21)9-8-17-11-23-26(2)12-17/h3-7,11-12H,10,13-14H2,1-2H3
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n/an/a 3.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human BRD2 BD1 (72 to 205 residues) by fluorescence polarization assay


J Med Chem 61: 6685-6704 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00506
BindingDB Entry DOI: 10.7270/Q27S7S54
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50459819
PNG
(CHEMBL4228445)
Show SMILES CCn1nc(cc1Nc1nc(nc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12)C(=O)NC)C1CC1 |(34.96,-28.14,;33.49,-28.62,;32.34,-27.6,;32.49,-26.07,;31.08,-25.45,;30.06,-26.6,;30.85,-27.93,;30.23,-29.34,;31.14,-30.58,;32.66,-30.41,;33.58,-31.65,;32.96,-33.05,;31.44,-33.22,;30.55,-34.48,;29.08,-34.01,;27.74,-34.79,;26.4,-34.02,;25.07,-34.79,;24.91,-36.32,;26.05,-37.35,;23.4,-36.64,;22.63,-35.31,;23.67,-34.16,;23.35,-32.66,;26.4,-32.47,;25.07,-31.7,;25.07,-30.16,;27.73,-31.7,;29.07,-32.47,;30.53,-31.98,;35.11,-31.48,;35.73,-30.07,;36.02,-32.72,;35.4,-34.13,;30.74,-23.95,;31.21,-22.48,;29.7,-22.81,)|
Show InChI InChI=1S/C26H28N8O3/c1-6-34-20(11-17(32-34)14-7-8-14)29-24-22-15-10-19(36-5)16(21-12(2)33-37-13(21)3)9-18(15)28-23(22)30-25(31-24)26(35)27-4/h9-11,14H,6-8H2,1-5H3,(H,27,35)(H2,28,29,30,31)
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n/an/a 3.90n/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of FAM-labeled ZBA248 binding to recombinant N-terminal His6-tagged BRD2 bromodomain 2 (349 to 460 residues) (unknown origin) expressed in...


J Med Chem 61: 462-481 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01816
BindingDB Entry DOI: 10.7270/Q2CV4MD0
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50365262
PNG
((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)
Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14|
Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
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n/an/a 3.90n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM313789
PNG
(US10167292, Example 33)
Show SMILES C[C@H](NC(=O)c1ccc2-c3c(C)nnn3CCN(c3ccc(Cl)cc3)c2c1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H23ClFN5O/c1-16(18-3-8-21(28)9-4-18)29-26(34)19-5-12-23-24(15-19)32(22-10-6-20(27)7-11-22)13-14-33-25(23)17(2)30-31-33/h3-12,15-16H,13-14H2,1-2H3,(H,29,34)/t16-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd2 bromodomain 2 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...


ACS Med Chem Lett 8: 1298-1303 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM543516
PNG
(US11279703, TABLE 6.119 | US11279703, TABLE 6.128 ...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C)c(Nc3cccc(NS(=O)(=O)C(C)(C)C)c3)n2)cc1
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n/an/a 4.58n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2833WX4
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50604624
PNG
(CHEMBL5206088)
Show SMILES Cc1cc(F)cc(C)c1Oc1ccc(cc1-c1cn(C)c(=O)c2cc(oc12)-c1cnc([nH]1)C1CCCC1)C(C)(C)O
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n/an/a 5.10n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM313807
PNG
(US10167292, Example 51B)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1nn[nH]n1
Show InChI InChI=1S/C18H15ClN8/c1-11-17-15-7-2-12(18-21-23-24-22-18)10-16(15)26(8-9-27(17)25-20-11)14-5-3-13(19)4-6-14/h2-7,10H,8-9H2,1H3,(H,21,22,23,24)
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n/an/a 6n/an/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd2 bromodomain 1 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...


ACS Med Chem Lett 8: 1298-1303 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50365262
PNG
((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)
Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14|
Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
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n/an/a 6.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRD2 BD2 (unknown origin) preincubated for 15 mins followed by peptide addition and measured after 60 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112780
BindingDB Entry DOI: 10.7270/Q2WM1J2S
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM313807
PNG
(US10167292, Example 51B)
Show SMILES Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1nn[nH]n1
Show InChI InChI=1S/C18H15ClN8/c1-11-17-15-7-2-12(18-21-23-24-22-18)10-16(15)26(8-9-27(17)25-20-11)14-5-3-13(19)4-6-14/h2-7,10H,8-9H2,1H3,(H,21,22,23,24)
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n/an/a 7n/an/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd2 bromodomain 2 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...


ACS Med Chem Lett 8: 1298-1303 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM592507
PNG
(US11572371, Compound 19)
Show SMILES CC(C)c1nnc(CC2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)o1 |c:9|
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n/an/a 8.30n/an/an/an/an/an/a


TBA

Assay Description
Homogeneous time=resolved fluorescence (HTRF) was used to detect the binding of the compound to BRD4(D1 + D2) and BRDT (D1) proteins, and the AlphaSc...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SQ94BJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50576438
PNG
(CHEMBL4869149)
Show SMILES [H][C@@]12C[C@@H](O)C[C@]1([H])[C@H]2NC(=O)c1cc2c(OC[C@@]2(C)c2ccccc2)c(c1)C(=O)NC |r|
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of 6His-Thr-BRD2 (1 to 473 residues) BD2 domain Y386A or Y113A mutant (unknown origin) incubated for 30 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM592405
PNG
(US11572371, Compound 20)
Show SMILES Cc1nnc2C(Cc3nnc(o3)C3CC3)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:17|
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n/an/a 10.1n/an/an/an/an/an/a


TBA

Assay Description
Homogeneous time=resolved fluorescence (HTRF) was used to detect the binding of the compound to BRD4(D1 + D2) and BRDT (D1) proteins, and the AlphaSc...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SQ94BJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM592508
PNG
(US11572371, Compound 22)
Show SMILES Cc1nnc2C(Cc3nnc(o3)C(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:17|
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n/an/a 10.8n/an/an/an/an/an/a


TBA

Assay Description
Homogeneous time=resolved fluorescence (HTRF) was used to detect the binding of the compound to BRD4(D1 + D2) and BRDT (D1) proteins, and the AlphaSc...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SQ94BJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50569836
PNG
(CHEMBL4850926)
Show SMILES Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(cc1)C(=O)NO)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127671
BindingDB Entry DOI: 10.7270/Q2RN3CS0
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50569836
PNG
(CHEMBL4850926)
Show SMILES Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(cc1)C(=O)NO)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127671
BindingDB Entry DOI: 10.7270/Q2RN3CS0
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50569836
PNG
(CHEMBL4850926)
Show SMILES Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(cc1)C(=O)NO)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127829
BindingDB Entry DOI: 10.7270/Q2K07870
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50569836
PNG
(CHEMBL4850926)
Show SMILES Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(cc1)C(=O)NO)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127829
BindingDB Entry DOI: 10.7270/Q2K07870
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50604625
PNG
(CHEMBL5204783)
Show SMILES Cc1cc(F)cc(C)c1Oc1ccc(cc1-c1cn(C)c(=O)c2cc(oc12)-c1cnc([nH]1)C1CCCCC1)C(C)(C)O
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM318840
PNG
((R)-6-4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethy...)
Show SMILES CNC1=C(C(=N)C2CC2)C(=O)N([C@@H]1c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 |r,c:2|
Show InChI InChI=1S/C23H23ClN6O/c1-12-10-17(11-29-13(2)27-28-22(12)29)30-21(15-6-8-16(24)9-7-15)20(26-3)18(23(30)31)19(25)14-4-5-14/h6-11,14,21,25-26H,4-5H2,1-3H3/t21-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US9624247 (2017)


BindingDB Entry DOI: 10.7270/Q28S4S02
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM380716
PNG
((R)-6-(4-chlorophenyl)-2-(3,6-dihydro-2H-pyran-4-y...)
Show SMILES CC(C)n1c(nc2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2n1)C1=CCOCC1 |r,t:35|
Show InChI InChI=1S/C26H26ClN7O2/c1-14(2)32-23-21(28-25(32)18-9-11-36-12-10-18)26(35)33(22(23)17-5-7-19(27)8-6-17)20-13-15(3)24-30-29-16(4)34(24)31-20/h5-9,13-14,22H,10-12H2,1-4H3/t22-/m1/s1
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Amgen



Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


Cancer Res 66: 8715-21 (2006)


BindingDB Entry DOI: 10.7270/Q2TM7DFQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM318855
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(fluorom...)
Show SMILES Cc1cc(cn2c(CF)nnc12)N1[C@@H](c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H20ClFN6O/c1-12-9-16(11-30-17(10-25)26-27-22(12)30)31-20(14-5-7-15(24)8-6-14)21-18(23(31)32)19(13-3-4-13)28-29(21)2/h5-9,11,13,20H,3-4,10H2,1-2H3/t20-/m1/s1
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NOVARTIS AG

US Patent


Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US9624247 (2017)


BindingDB Entry DOI: 10.7270/Q28S4S02
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM318861
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimeth...)
Show SMILES Cc1nnc2c(C)cc(nn12)N1[C@@H](c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C22H20ClN7O/c1-11-10-16(26-30-12(2)24-25-21(11)30)29-19(14-6-8-15(23)9-7-14)20-17(22(29)31)18(13-4-5-13)27-28(20)3/h6-10,13,19H,4-5H2,1-3H3/t19-/m1/s1
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NOVARTIS AG

US Patent


Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US9624247 (2017)


BindingDB Entry DOI: 10.7270/Q28S4S02
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM380670
PNG
(6-(4-chlorophenyl)-2-cyclopropyl-5-(3,8-dimethyl-[...)
Show SMILES Cc1nnc2c(C)cc(cn12)N1C(c2c(nc(C3CC3)n2C)C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN6O/c1-12-10-17(11-29-13(2)26-27-21(12)29)30-19(14-6-8-16(24)9-7-14)20-18(23(30)31)25-22(28(20)3)15-4-5-15/h6-11,15,19H,4-5H2,1-3H3
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Amgen



Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


Cancer Res 66: 8715-21 (2006)


BindingDB Entry DOI: 10.7270/Q2TM7DFQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM380694
PNG
((R)-6-(4-chlorophenyl)-2-(3,6-dihydro-2H-pyran-4-y...)
Show SMILES CC(C)n1c(nc2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2c1)C1=CCOCC1 |r,t:35|
Show InChI InChI=1S/C27H27ClN6O2/c1-15(2)33-25-23(29-26(33)18-9-11-36-12-10-18)27(35)34(24(25)17-5-7-19(28)8-6-17)20-13-16(3)22-21(14-20)32(4)31-30-22/h5-9,13-15,24H,10-12H2,1-4H3/t24-/m1/s1
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Amgen



Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


Cancer Res 66: 8715-21 (2006)


BindingDB Entry DOI: 10.7270/Q2TM7DFQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150062
PNG
(US8975417, 122)
Show SMILES Cc1nn(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2n1 |r|
Show InChI InChI=1S/C22H20ClN7O/c1-11-10-17(27-29-13(3)24-25-21(11)29)28-19(14-4-6-15(23)7-5-14)18-12(2)26-30(16-8-9-16)20(18)22(28)31/h4-7,10,16,19H,8-9H2,1-3H3/t19-/m1/s1
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US Patent
n/an/a 12n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM380723
PNG
((R)-6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]tria...)
Show SMILES CC(C)n1c(C)nc2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2n1 |r|
Show InChI InChI=1S/C22H22ClN7O/c1-11(2)28-13(4)24-18-20(28)19(15-6-8-16(23)9-7-15)29(22(18)31)17-10-12(3)21-26-25-14(5)30(21)27-17/h6-11,19H,1-5H3/t19-/m1/s1
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Amgen



Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


Cancer Res 66: 8715-21 (2006)


BindingDB Entry DOI: 10.7270/Q2TM7DFQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50544616
PNG
(CHEMBL4635329)
Show SMILES COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1[C@H](C)c1ccccc1 |r,wD:25.29,(48.14,-4.72,;47.37,-6.05,;45.83,-6.06,;45.07,-7.39,;45.69,-8.79,;44.56,-9.82,;44.57,-11.37,;43.24,-12.14,;41.9,-11.38,;40.57,-12.15,;39.24,-11.38,;37.9,-12.15,;36.5,-11.52,;36.18,-10.01,;35.46,-12.66,;36.23,-14,;37.74,-13.68,;38.88,-14.71,;39.24,-9.84,;37.9,-9.07,;37.9,-7.53,;40.57,-9.07,;41.9,-9.83,;43.23,-9.06,;43.54,-7.56,;42.51,-6.42,;41,-6.74,;42.98,-4.95,;44.48,-4.64,;44.95,-3.17,;43.92,-2.03,;42.41,-2.36,;41.94,-3.83,)|
Show InChI InChI=1S/C26H26N4O3/c1-15-25(17(3)33-29-15)20-11-21-19(12-23(20)32-5)26-22(13-27-21)28-24(14-31-4)30(26)16(2)18-9-7-6-8-10-18/h6-13,16H,14H2,1-5H3/t16-/m1/s1
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GSK

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD2 BD1 (1 to 473 residues)/BD2 Y386A mutant expressed in Escher...


J Med Chem 63: 9020-9044 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00566
BindingDB Entry DOI: 10.7270/Q2348Q0N
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM380695
PNG
((R)-6-(4-chlorophenyl)-5-(1,4-dimethyl-1H-benzo[d]...)
Show SMILES CC(C)n1c(nc2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2c1)C1CCOCC1 |r|
Show InChI InChI=1S/C27H29ClN6O2/c1-15(2)33-25-23(29-26(33)18-9-11-36-12-10-18)27(35)34(24(25)17-5-7-19(28)8-6-17)20-13-16(3)22-21(14-20)32(4)31-30-22/h5-8,13-15,18,24H,9-12H2,1-4H3/t24-/m1/s1
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Amgen



Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


Cancer Res 66: 8715-21 (2006)


BindingDB Entry DOI: 10.7270/Q2TM7DFQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM318841
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(difluoromet...)
Show SMILES Cc1cc(cn2c(nnc12)C(F)F)N1C(c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H19ClF2N6O/c1-11-9-15(10-31-21(11)27-28-22(31)20(25)26)32-18(13-5-7-14(24)8-6-13)19-16(23(32)33)17(12-3-4-12)29-30(19)2/h5-10,12,18,20H,3-4H2,1-2H3
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NOVARTIS AG

US Patent


Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US9624247 (2017)


BindingDB Entry DOI: 10.7270/Q28S4S02
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM318845
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3-(difluor...)
Show SMILES Cc1cc(cn2c(nnc12)C(F)F)N1[C@@H](c2c(C1=O)c(nn2C)C1CC1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H19ClF2N6O/c1-11-9-15(10-31-21(11)27-28-22(31)20(25)26)32-18(13-5-7-14(24)8-6-13)19-16(23(32)33)17(12-3-4-12)29-30(19)2/h5-10,12,18,20H,3-4H2,1-2H3/t18-/m1/s1
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NOVARTIS AG

US Patent


Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US9624247 (2017)


BindingDB Entry DOI: 10.7270/Q28S4S02
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM318858
PNG
((R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimeth...)
Show SMILES Cc1nnc2c(C)cc(cn12)N1[C@@H](c2c(C1=O)c(nn2C[C@H](O)C(F)(F)F)C1CC1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H22ClF3N6O2/c1-12-9-17(10-33-13(2)30-31-23(12)33)35-21(15-5-7-16(26)8-6-15)22-19(24(35)37)20(14-3-4-14)32-34(22)11-18(36)25(27,28)29/h5-10,14,18,21,36H,3-4,11H2,1-2H3/t18-,21+/m0/s1
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NOVARTIS AG

US Patent


Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US9624247 (2017)


BindingDB Entry DOI: 10.7270/Q28S4S02
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM380725
PNG
((R)-6-(4-chlorophenyl)-5-(1,4-dimethyl-1H-benzo[d]...)
Show SMILES COc1ncccc1-c1nc2C(=O)N([C@@H](c2n1C(C)C)c1ccc(Cl)cc1)c1cc(C)c2nnn(C)c2c1 |r|
Show InChI InChI=1S/C28H26ClN7O2/c1-15(2)35-25-23(31-26(35)20-7-6-12-30-27(20)38-5)28(37)36(24(25)17-8-10-18(29)11-9-17)19-13-16(3)22-21(14-19)34(4)33-32-22/h6-15,24H,1-5H3/t24-/m1/s1
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Amgen



Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


Cancer Res 66: 8715-21 (2006)


BindingDB Entry DOI: 10.7270/Q2TM7DFQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM380763
PNG
((R)-6-(4-chlorophenyl)-5-(3-(difluoromethyl)-8-met...)
Show SMILES COc1ncccc1-c1nc2C(=O)N([C@@H](c2n1C(C)C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C(F)F)n2c1 |r|
Show InChI InChI=1S/C28H24ClF2N7O2/c1-14(2)37-22-20(33-25(37)19-6-5-11-32-27(19)40-4)28(39)38(21(22)16-7-9-17(29)10-8-16)18-12-15(3)24-34-35-26(23(30)31)36(24)13-18/h5-14,21,23H,1-4H3/t21-/m1/s1
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Amgen



Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


Cancer Res 66: 8715-21 (2006)


BindingDB Entry DOI: 10.7270/Q2TM7DFQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150047
PNG
(US8975417, 107)
Show SMILES CCc1nn(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1 |r|
Show InChI InChI=1S/C24H23ClN6O/c1-4-19-20-21(15-5-7-16(25)8-6-15)30(24(32)22(20)31(28-19)17-9-10-17)18-11-13(2)23-27-26-14(3)29(23)12-18/h5-8,11-12,17,21H,4,9-10H2,1-3H3/t21-/m1/s1
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n/an/a 14n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150044
PNG
(US8975417, 104)
Show SMILES CC(C)n1nc(C)c2[C@H](N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C22H23ClN4O2/c1-12(2)27-20-18(14(4)24-27)19(15-6-8-16(23)9-7-15)26(22(20)29)17-10-13(3)21(28)25(5)11-17/h6-12,19H,1-5H3/t19-/m1/s1
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Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM380731
PNG
((R)-6-(4-chlorophenyl)-5-(3,7-dimethyl-3H-benzo[d]...)
Show SMILES CC(C)n1c(C)nc2[C@H](N(C(=O)c12)c1cc(C)c2nnn(C)c2c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H23ClN6O/c1-12(2)29-14(4)25-20-21(15-6-8-16(24)9-7-15)30(23(31)22(20)29)17-10-13(3)19-18(11-17)28(5)27-26-19/h6-12,21H,1-5H3/t21-/m1/s1
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Amgen



Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


Cancer Res 66: 8715-21 (2006)


BindingDB Entry DOI: 10.7270/Q2TM7DFQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM592506
PNG
(US11572371, Compound 6)
Show SMILES CCOCc1nnc(CC2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)o1 |c:10|
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n/an/a 15n/an/an/an/an/an/a


TBA

Assay Description
Homogeneous time=resolved fluorescence (HTRF) was used to detect the binding of the compound to BRD4(D1 + D2) and BRDT (D1) proteins, and the AlphaSc...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SQ94BJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM149993
PNG
(US8975417, 49)
Show SMILES Cc1nn(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1 |r|
Show InChI InChI=1S/C22H21ClN4O2/c1-12-10-17(11-25(3)21(12)28)26-19(14-4-6-15(23)7-5-14)18-13(2)24-27(16-8-9-16)20(18)22(26)29/h4-7,10-11,16,19H,8-9H2,1-3H3/t19-/m1/s1
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Novartis AG

US Patent


Assay Description
All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM264434
PNG
(6-(4-chlorophenyl)-3-cyclopropyl-5-(1,5-dimethyl-6...)
Show SMILES COCCNC1=C(C(=N)C2CC2)C(=O)N(C1c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1 |c:5|
Show InChI InChI=1S/C24H27ClN4O3/c1-14-12-18(13-28(2)23(14)30)29-22(16-6-8-17(25)9-7-16)21(27-10-11-32-3)19(24(29)31)20(26)15-4-5-15/h6-9,12-13,15,22,26-27H,4-5,10-11H2,1-3H3
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Novartis AG

US Patent


Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


US Patent US9714249 (2017)


BindingDB Entry DOI: 10.7270/Q27083FW
More data for this
Ligand-Target Pair
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