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Compile Data Set for Download or QSAR

Found 114 hits of kd for UniProtKB: A0A024RCR5   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50365264
PNG
(CHEMBL1738926)
Show SMILES Cc1nnc2[C@H](NC(=O)OCc3ccccc3)N=C(c3ccccc3)c3ccccc3-n12
Show InChI InChI=1S/C25H21N5O2/c1-17-28-29-24-23(27-25(31)32-16-18-10-4-2-5-11-18)26-22(19-12-6-3-7-13-19)20-14-8-9-15-21(20)30(17)24/h2-15,23H,16H2,1H3,(H,27,31)/t23-/m0/s1
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n/an/an/a 19n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal portion of human Brd2 containing bromodomain BD12 expressed in Escherichia coli by isothermal titration calorimetric a...


J Med Chem 54: 3827-38 (2011)


Article DOI: 10.1021/jm200108t
BindingDB Entry DOI: 10.7270/Q2GB2541
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50365264
PNG
(CHEMBL1738926)
Show SMILES Cc1nnc2[C@H](NC(=O)OCc3ccccc3)N=C(c3ccccc3)c3ccccc3-n12
Show InChI InChI=1S/C25H21N5O2/c1-17-28-29-24-23(27-25(31)32-16-18-10-4-2-5-11-18)26-22(19-12-6-3-7-13-19)20-14-8-9-15-21(20)30(17)24/h2-15,23H,16H2,1H3,(H,27,31)/t23-/m0/s1
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n/an/an/a 46n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal portion of human Brd2 containing bromodomain BD1 expressed in Escherichia coli at 16 degC by isothermal titration calo...


J Med Chem 54: 3827-38 (2011)


Article DOI: 10.1021/jm200108t
BindingDB Entry DOI: 10.7270/Q2GB2541
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50365264
PNG
(CHEMBL1738926)
Show SMILES Cc1nnc2[C@H](NC(=O)OCc3ccccc3)N=C(c3ccccc3)c3ccccc3-n12
Show InChI InChI=1S/C25H21N5O2/c1-17-28-29-24-23(27-25(31)32-16-18-10-4-2-5-11-18)26-22(19-12-6-3-7-13-19)20-14-8-9-15-21(20)30(17)24/h2-15,23H,16H2,1H3,(H,27,31)/t23-/m0/s1
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n/an/an/a 52.5n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal portion of human Brd2 containing bromodomain BD2 expressed in Escherichia coli at 26 degC by isothermal titration calo...


J Med Chem 54: 3827-38 (2011)


Article DOI: 10.1021/jm200108t
BindingDB Entry DOI: 10.7270/Q2GB2541
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50365264
PNG
(CHEMBL1738926)
Show SMILES Cc1nnc2[C@H](NC(=O)OCc3ccccc3)N=C(c3ccccc3)c3ccccc3-n12
Show InChI InChI=1S/C25H21N5O2/c1-17-28-29-24-23(27-25(31)32-16-18-10-4-2-5-11-18)26-22(19-12-6-3-7-13-19)20-14-8-9-15-21(20)30(17)24/h2-15,23H,16H2,1H3,(H,27,31)/t23-/m0/s1
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n/an/an/a 52n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal portion of human Brd2 containing bromodomain BD12 expressed in Escherichia coli at 26 degC by isothermal titration cal...


J Med Chem 54: 3827-38 (2011)


Article DOI: 10.1021/jm200108t
BindingDB Entry DOI: 10.7270/Q2GB2541
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50365264
PNG
(CHEMBL1738926)
Show SMILES Cc1nnc2[C@H](NC(=O)OCc3ccccc3)N=C(c3ccccc3)c3ccccc3-n12
Show InChI InChI=1S/C25H21N5O2/c1-17-28-29-24-23(27-25(31)32-16-18-10-4-2-5-11-18)26-22(19-12-6-3-7-13-19)20-14-8-9-15-21(20)30(17)24/h2-15,23H,16H2,1H3,(H,27,31)/t23-/m0/s1
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n/an/an/a 220n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human Brd2 containing bromodomain BD1 expressed in Escherichia coli assessed as dissociation constant at 25 degC by surface plasm...


J Med Chem 54: 3827-38 (2011)


Article DOI: 10.1021/jm200108t
BindingDB Entry DOI: 10.7270/Q2GB2541
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50365264
PNG
(CHEMBL1738926)
Show SMILES Cc1nnc2[C@H](NC(=O)OCc3ccccc3)N=C(c3ccccc3)c3ccccc3-n12
Show InChI InChI=1S/C25H21N5O2/c1-17-28-29-24-23(27-25(31)32-16-18-10-4-2-5-11-18)26-22(19-12-6-3-7-13-19)20-14-8-9-15-21(20)30(17)24/h2-15,23H,16H2,1H3,(H,27,31)/t23-/m0/s1
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n/an/an/a 54n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human Brd2 containing bromodomain BD2 expressed in Escherichia coli assessed as dissociation constant at 25 degC by surface plasm...


J Med Chem 54: 3827-38 (2011)


Article DOI: 10.1021/jm200108t
BindingDB Entry DOI: 10.7270/Q2GB2541
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
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/an/a 25n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD2 (1 to 473 aa) (unknown origin) by SPR method


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))
BDBM50092310
PNG
(CHEMBL3581661 | US9675697, Cpd. No. 23)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)[nH]nc3C3CC3)c21
Show InChI InChI=1S/C24H23N5O2/c1-11-21(23(28-27-11)14-5-6-14)24-22-15-10-19(30-4)16(20-12(2)29-31-13(20)3)9-18(15)26-17(22)7-8-25-24/h7-10,14,26H,5-6H2,1-4H3,(H,27,28)
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n/an/an/a 48n/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated BRD2 BD1 (72 to 205 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells by bio-layer interferometr...


J Med Chem 58: 4927-39 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00613
BindingDB Entry DOI: 10.7270/Q2XD13FK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50092310
PNG
(CHEMBL3581661 | US9675697, Cpd. No. 23)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)[nH]nc3C3CC3)c21
Show InChI InChI=1S/C24H23N5O2/c1-11-21(23(28-27-11)14-5-6-14)24-22-15-10-19(30-4)16(20-12(2)29-31-13(20)3)9-18(15)26-17(22)7-8-25-24/h7-10,14,26H,5-6H2,1-4H3,(H,27,28)
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n/an/an/a 30n/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated BRD2 BD2 (349 to 460 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells by bio-layer interferomet...


J Med Chem 58: 4927-39 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00613
BindingDB Entry DOI: 10.7270/Q2XD13FK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50365262
PNG
( (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10124009, C...)
Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1
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/an/a 15n/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated BRD2 BD1 (72 to 205 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells by bio-layer interferometr...


J Med Chem 58: 4927-39 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00613
BindingDB Entry DOI: 10.7270/Q2XD13FK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50365262
PNG
( (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10124009, C...)
Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1
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/an/a 6.20n/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated BRD2 BD2 (349 to 460 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells by bio-layer interferomet...


J Med Chem 58: 4927-39 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00613
BindingDB Entry DOI: 10.7270/Q2XD13FK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50365463
PNG
(CHEMBL1232461)
Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12
Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1
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n/an/an/a 159n/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated BRD2 BD1 (72 to 205 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells by bio-layer interferometr...


J Med Chem 58: 4927-39 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00613
BindingDB Entry DOI: 10.7270/Q2XD13FK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50365463
PNG
(CHEMBL1232461)
Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12
Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1
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n/an/an/a 45n/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated BRD2 BD2 (349 to 460 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells by bio-layer interferomet...


J Med Chem 58: 4927-39 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00613
BindingDB Entry DOI: 10.7270/Q2XD13FK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50380682
PNG
(CHEMBL2017291 | I-BET151 (16))
Show SMILES COc1cc2c3n([C@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C
Show InChI InChI=1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m1/s1
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n/an/an/a 55n/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated BRD2 BD1 (72 to 205 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells by bio-layer interferometr...


J Med Chem 58: 4927-39 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00613
BindingDB Entry DOI: 10.7270/Q2XD13FK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50380682
PNG
(CHEMBL2017291 | I-BET151 (16))
Show SMILES COc1cc2c3n([C@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C
Show InChI InChI=1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m1/s1
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n/an/an/a 70n/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated BRD2 BD2 (349 to 460 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells by bio-layer interferomet...


J Med Chem 58: 4927-39 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00613
BindingDB Entry DOI: 10.7270/Q2XD13FK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50098250
PNG
(CHEMBL3590389)
Show SMILES Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCCCC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C27H35N5O2/c1-17-10-20(13-29-12-17)22-14-30-26(25-21(22)11-18(2)27(33)32-25)31-23-8-9-28-15-24(23)34-16-19-6-4-3-5-7-19/h10-14,19,23-24,28H,3-9,15-16H2,1-2H3,(H,30,31)(H,32,33)/t23-,24-/m1/s1
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n/an/an/a 3.16E+3n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to BRD2 in human HUT78 cells incubated for 45 mins by mass spectrometry based bromosphere chemoproteomic assay


J Med Chem 58: 6151-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00773
BindingDB Entry DOI: 10.7270/Q2FN17Z1
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50098305
PNG
(CHEMBL3590405)
Show SMILES Cc1cncc(c1)-c1ccc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12
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n/an/an/a 631n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to BRD2 in human HUT78 cells incubated for 45 mins by mass spectrometry based bromosphere chemoproteomic assay


J Med Chem 58: 6151-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00773
BindingDB Entry DOI: 10.7270/Q2FN17Z1
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50098311
PNG
(CHEMBL3590408)
Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1
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n/an/an/a 2.00E+4n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to BRD2 in human HUT78 cells incubated for 45 mins by mass spectrometry based bromosphere chemoproteomic assay


J Med Chem 58: 6151-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00773
BindingDB Entry DOI: 10.7270/Q2FN17Z1
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50148552
PNG
(CHEMBL3770150)
Show SMILES CCOc1ccc(cc1NC(=O)c1cccc(c1)C(O)=O)C(C)=O
Show InChI InChI=1S/C18H17NO5/c1-3-24-16-8-7-12(11(2)20)10-15(16)19-17(21)13-5-4-6-14(9-13)18(22)23/h4-10H,3H2,1-2H3,(H,19,21)(H,22,23)
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n/an/an/a>5.00E+4n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to human BRD2 bromodomain 1 expressed in T7 phage-infected Escherichia coli BL21(DE3) cells incubated for 1 hr by bromos...


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50148554
PNG
(CHEMBL3770598)
Show SMILES CCOc1ccc(cc1NC(=O)c1cc(cc(c1)-c1ccoc1)C(O)=O)C(C)=O
Show InChI InChI=1S/C22H19NO6/c1-3-29-20-5-4-14(13(2)24)11-19(20)23-21(25)17-8-16(15-6-7-28-12-15)9-18(10-17)22(26)27/h4-12H,3H2,1-2H3,(H,23,25)(H,26,27)
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n/an/an/a 2.40E+4n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to human BRD2 bromodomain 1 expressed in T7 phage-infected Escherichia coli BL21(DE3) cells incubated for 1 hr by bromos...


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50148555
PNG
(CHEMBL3771341)
Show SMILES CCOc1ccc(cc1NC(=O)c1cc(COC)cc(c1)C(O)=O)C(C)=O
Show InChI InChI=1S/C20H21NO6/c1-4-27-18-6-5-14(12(2)22)10-17(18)21-19(23)15-7-13(11-26-3)8-16(9-15)20(24)25/h5-10H,4,11H2,1-3H3,(H,21,23)(H,24,25)
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n/an/an/a>5.00E+4n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to human BRD2 bromodomain 1 expressed in T7 phage-infected Escherichia coli BL21(DE3) cells incubated for 1 hr by bromos...


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50148552
PNG
(CHEMBL3770150)
Show SMILES CCOc1ccc(cc1NC(=O)c1cccc(c1)C(O)=O)C(C)=O
Show InChI InChI=1S/C18H17NO5/c1-3-24-16-8-7-12(11(2)20)10-15(16)19-17(21)13-5-4-6-14(9-13)18(22)23/h4-10H,3H2,1-2H3,(H,19,21)(H,22,23)
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n/an/an/a>5.00E+4n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to human BRD2 bromodomain 2 expressed in T7 phage-infected Escherichia coli BL21(DE3) cells incubated for 1 hr by bromos...


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50148554
PNG
(CHEMBL3770598)
Show SMILES CCOc1ccc(cc1NC(=O)c1cc(cc(c1)-c1ccoc1)C(O)=O)C(C)=O
Show InChI InChI=1S/C22H19NO6/c1-3-29-20-5-4-14(13(2)24)11-19(20)23-21(25)17-8-16(15-6-7-28-12-15)9-18(10-17)22(26)27/h4-12H,3H2,1-2H3,(H,23,25)(H,26,27)
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n/an/an/a 2.40E+4n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to human BRD2 bromodomain 2 expressed in T7 phage-infected Escherichia coli BL21(DE3) cells incubated for 1 hr by bromos...


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50148555
PNG
(CHEMBL3771341)
Show SMILES CCOc1ccc(cc1NC(=O)c1cc(COC)cc(c1)C(O)=O)C(C)=O
Show InChI InChI=1S/C20H21NO6/c1-4-27-18-6-5-14(12(2)22)10-17(18)21-19(23)15-7-13(11-26-3)8-16(9-15)20(24)25/h5-10H,4,11H2,1-3H3,(H,21,23)(H,24,25)
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n/an/an/a>5.00E+4n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Competitive binding affinity to human BRD2 bromodomain 2 expressed in T7 phage-infected Escherichia coli BL21(DE3) cells incubated for 1 hr by bromos...


J Med Chem 59: 1350-6 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00172
BindingDB Entry DOI: 10.7270/Q2F47R0S
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/an/a 206n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to human BRD2 bromodomain 2 by isothermal titration calorimetry


J Med Chem 59: 1492-500 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01135
BindingDB Entry DOI: 10.7270/Q21V5GVF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/an/a 1.69E+4n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to human BRD2 bromodomain 1 by isothermal titration calorimetry


J Med Chem 59: 1492-500 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01135
BindingDB Entry DOI: 10.7270/Q21V5GVF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/an/a 250n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to human BRD2 bromodomain 2 expressed in Escherichia coli BL21 (DE3) cells by isothermal titration calorimetry


J Med Chem 59: 1492-500 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01135
BindingDB Entry DOI: 10.7270/Q21V5GVF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/an/a 5.80E+3n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to human BRD2 bromodomain 1 expressed in Escherichia coli BL21 (DE3) cells by isothermal titration calorimetry


J Med Chem 59: 1492-500 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01135
BindingDB Entry DOI: 10.7270/Q21V5GVF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50148603
PNG
(CHEMBL3770724)
Show SMILES CC(=O)NCCCCn1c2CCNC(=O)c2c2ccccc12
Show InChI InChI=1S/C17H21N3O2/c1-12(21)18-9-4-5-11-20-14-7-3-2-6-13(14)16-15(20)8-10-19-17(16)22/h2-3,6-7H,4-5,8-11H2,1H3,(H,18,21)(H,19,22)
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n/an/an/a>3.00E+5n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to recombinant poly-His-tagged BRD2 bromodomain 2 (unknown origin) by isothermal titration calorimetry


J Med Chem 59: 1492-500 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01135
BindingDB Entry DOI: 10.7270/Q21V5GVF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50148603
PNG
(CHEMBL3770724)
Show SMILES CC(=O)NCCCCn1c2CCNC(=O)c2c2ccccc12
Show InChI InChI=1S/C17H21N3O2/c1-12(21)18-9-4-5-11-20-14-7-3-2-6-13(14)16-15(20)8-10-19-17(16)22/h2-3,6-7H,4-5,8-11H2,1H3,(H,18,21)(H,19,22)
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n/an/an/a 8.60E+3n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to recombinant poly-His-tagged BRD2 bromodomain 1 (unknown origin) by isothermal titration calorimetry


J Med Chem 59: 1492-500 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01135
BindingDB Entry DOI: 10.7270/Q21V5GVF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50365463
PNG
(CHEMBL1232461)
Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12
Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1
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n/an/an/a 100n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to full length N-terminal His6-tagged-BRD2 bromodomain 2 (unknown origin) expressed in competent Escherichia coli BL21(DE3) cells by...


J Med Chem 59: 1492-500 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01135
BindingDB Entry DOI: 10.7270/Q21V5GVF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50365463
PNG
(CHEMBL1232461)
Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12
Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1
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n/an/an/a 230n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to full length N-terminal His6-tagged-BRD2 bromodomain 1 (unknown origin) expressed in competent Escherichia coli BL21(DE3) cells by...


J Med Chem 59: 1492-500 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01135
BindingDB Entry DOI: 10.7270/Q21V5GVF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50148604
PNG
(CHEMBL3770576)
Show SMILES COC(=O)CC1N=C(c2cc(OC)ccc2-n2c(C)nnc12)c1cccc2[nH]ccc12
Show InChI InChI=1S/C23H21N5O3/c1-13-26-27-23-19(12-21(29)31-3)25-22(16-5-4-6-18-15(16)9-10-24-18)17-11-14(30-2)7-8-20(17)28(13)23/h4-11,19,24H,12H2,1-3H3
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n/an/an/a 45n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged BRD2 bromodomain 2 (unknown origin) expressed in competent Escherichia coli BL21(DE3) cells by isothermal ...


J Med Chem 59: 1492-500 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01135
BindingDB Entry DOI: 10.7270/Q21V5GVF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50148605
PNG
(CHEMBL3769729)
Show SMILES COC(=O)[C@H](C)[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12
Show InChI InChI=1S/C22H21ClN4O3/c1-12(22(28)30-4)19-21-26-25-13(2)27(21)18-10-9-16(29-3)11-17(18)20(24-19)14-5-7-15(23)8-6-14/h5-12,19H,1-4H3/t12-,19+/m1/s1
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n/an/an/a 300n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged BRD2 bromodomain 2 (unknown origin) expressed in competent Escherichia coli BL21(DE3) cells by isothermal ...


J Med Chem 59: 1492-500 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01135
BindingDB Entry DOI: 10.7270/Q21V5GVF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50148604
PNG
(CHEMBL3770576)
Show SMILES COC(=O)CC1N=C(c2cc(OC)ccc2-n2c(C)nnc12)c1cccc2[nH]ccc12
Show InChI InChI=1S/C23H21N5O3/c1-13-26-27-23-19(12-21(29)31-3)25-22(16-5-4-6-18-15(16)9-10-24-18)17-11-14(30-2)7-8-20(17)28(13)23/h4-11,19,24H,12H2,1-3H3
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n/an/an/a 780n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged BRD2 bromodomain 1 (unknown origin) expressed in competent Escherichia coli BL21(DE3) cells by isothermal ...


J Med Chem 59: 1492-500 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01135
BindingDB Entry DOI: 10.7270/Q21V5GVF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50148605
PNG
(CHEMBL3769729)
Show SMILES COC(=O)[C@H](C)[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12
Show InChI InChI=1S/C22H21ClN4O3/c1-12(22(28)30-4)19-21-26-25-13(2)27(21)18-10-9-16(29-3)11-17(18)20(24-19)14-5-7-15(23)8-6-14/h5-12,19H,1-4H3/t12-,19+/m1/s1
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n/an/an/a 1.47E+3n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged BRD2 bromodomain 1 (unknown origin) expressed in competent Escherichia coli BL21(DE3) cells by isothermal ...


J Med Chem 59: 1492-500 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01135
BindingDB Entry DOI: 10.7270/Q21V5GVF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50365262
PNG
( (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10124009, C...)
Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1
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/an/a 128n/an/an/an/an/a



Japan Science and Technology Agency

Curated by ChEMBL


Assay Description
Binding affinity to BRD2-BD1 by isothermal titration calorimetry


Bioorg Med Chem 20: 1887-92 (2012)


Article DOI: 10.1016/j.bmc.2012.01.018
BindingDB Entry DOI: 10.7270/Q2TX3FTN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50365462
PNG
(CHEMBL1738777)
Show SMILES Cn1c2ccccc2n(CCSc2nc3ccccc3[nH]2)c1=S
Show InChI InChI=1S/C17H16N4S2/c1-20-14-8-4-5-9-15(14)21(17(20)22)10-11-23-16-18-12-6-2-3-7-13(12)19-16/h2-9H,10-11H2,1H3,(H,18,19)
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n/an/an/a 2.80E+4n/an/an/an/an/a



Japan Science and Technology Agency

Curated by ChEMBL


Assay Description
Binding affinity to BRD2-BD1 by SPR spectroscopy


Bioorg Med Chem 20: 1887-92 (2012)


Article DOI: 10.1016/j.bmc.2012.01.018
BindingDB Entry DOI: 10.7270/Q2TX3FTN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50365463
PNG
(CHEMBL1232461)
Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12
Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1
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n/an/an/a 61.3n/an/an/an/an/a



Japan Science and Technology Agency

Curated by ChEMBL


Assay Description
Binding affinity to BRD2-BD1,2 by isothermal titration calorimetry


Bioorg Med Chem 20: 1887-92 (2012)


Article DOI: 10.1016/j.bmc.2012.01.018
BindingDB Entry DOI: 10.7270/Q2TX3FTN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50365264
PNG
(CHEMBL1738926)
Show SMILES Cc1nnc2[C@H](NC(=O)OCc3ccccc3)N=C(c3ccccc3)c3ccccc3-n12
Show InChI InChI=1S/C25H21N5O2/c1-17-28-29-24-23(27-25(31)32-16-18-10-4-2-5-11-18)26-22(19-12-6-3-7-13-19)20-14-8-9-15-21(20)30(17)24/h2-15,23H,16H2,1H3,(H,27,31)/t23-/m0/s1
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n/an/an/a 52n/an/an/an/an/a



Japan Science and Technology Agency

Curated by ChEMBL


Assay Description
Binding affinity to BRD2-BD1,2 by isothermal titration calorimetry


Bioorg Med Chem 20: 1887-92 (2012)


Article DOI: 10.1016/j.bmc.2012.01.018
BindingDB Entry DOI: 10.7270/Q2TX3FTN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50365463
PNG
(CHEMBL1232461)
Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12
Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1
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n/an/an/a 101n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD2 expressed in Escherichia coli by isothermal colorimetric analysis


J Med Chem 55: 587-96 (2012)


Article DOI: 10.1021/jm201283q
BindingDB Entry DOI: 10.7270/Q22R3SSS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50365264
PNG
(CHEMBL1738926)
Show SMILES Cc1nnc2[C@H](NC(=O)OCc3ccccc3)N=C(c3ccccc3)c3ccccc3-n12
Show InChI InChI=1S/C25H21N5O2/c1-17-28-29-24-23(27-25(31)32-16-18-10-4-2-5-11-18)26-22(19-12-6-3-7-13-19)20-14-8-9-15-21(20)30(17)24/h2-15,23H,16H2,1H3,(H,27,31)/t23-/m0/s1
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n/an/an/a 52n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD2 expressed in Escherichia coli by isothermal colorimetric analysis


J Med Chem 55: 587-96 (2012)


Article DOI: 10.1021/jm201283q
BindingDB Entry DOI: 10.7270/Q22R3SSS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50397596
PNG
(CHEMBL2181718)
Show SMILES Cc1noc(C)c1-c1ccc(OCCCN2CCOCC2)c(c1)S(=O)(=O)NC1CCCC1
Show InChI InChI=1S/C23H33N3O5S/c1-17-23(18(2)31-24-17)19-8-9-21(30-13-5-10-26-11-14-29-15-12-26)22(16-19)32(27,28)25-20-6-3-4-7-20/h8-9,16,20,25H,3-7,10-15H2,1-2H3
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n/an/an/a 3.14E+3n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD2 expressed in Escherichia coli by surface plasmon resonance assay


J Med Chem 55: 587-96 (2012)


Article DOI: 10.1021/jm201283q
BindingDB Entry DOI: 10.7270/Q22R3SSS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50365462
PNG
(CHEMBL1738777)
Show SMILES Cn1c2ccccc2n(CCSc2nc3ccccc3[nH]2)c1=S
Show InChI InChI=1S/C17H16N4S2/c1-20-14-8-4-5-9-15(14)21(17(20)22)10-11-23-16-18-12-6-2-3-7-13(12)19-16/h2-9H,10-11H2,1H3,(H,18,19)
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n/an/an/a 2.80E+4n/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Binding affinity to BRD2 isoform 1 by SPR


J Med Chem 55: 9393-413 (2012)


Article DOI: 10.1021/jm300915b
BindingDB Entry DOI: 10.7270/Q25B03NC
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
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n/an/an/a 5.78E+3n/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged BRD2 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells


J Med Chem 60: 4533-4558 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01761
BindingDB Entry DOI: 10.7270/Q27P91VQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50148603
PNG
(CHEMBL3770724)
Show SMILES CC(=O)NCCCCn1c2CCNC(=O)c2c2ccccc12
Show InChI InChI=1S/C17H21N3O2/c1-12(21)18-9-4-5-11-20-14-7-3-2-6-13(14)16-15(20)8-10-19-17(16)22/h2-3,6-7H,4-5,8-11H2,1H3,(H,18,21)(H,19,22)
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n/an/an/a>3.00E+5n/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of poly-His tagged BRD2 bromodomain 2 (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence anisotropy assay


J Med Chem 60: 4533-4558 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01761
BindingDB Entry DOI: 10.7270/Q27P91VQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50452554
PNG
(CHEMBL4207106)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccoc1
Show InChI InChI=1S/C20H24N2O4/c1-12(2)26-20(24)21-18-9-13(3)22(14(4)23)19-6-5-15(10-17(18)19)16-7-8-25-11-16/h5-8,10-13,18H,9H2,1-4H3,(H,21,24)/t13-,18+/m0/s1
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n/an/an/a 245n/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged BRD2 bromodomain 1 (unknown origin) by SPR assay


Bioorg Med Chem 26: 25-36 (2018)


Article DOI: 10.1016/j.bmc.2017.10.042
BindingDB Entry DOI: 10.7270/Q2B56NB2
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50452554
PNG
(CHEMBL4207106)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccoc1
Show InChI InChI=1S/C20H24N2O4/c1-12(2)26-20(24)21-18-9-13(3)22(14(4)23)19-6-5-15(10-17(18)19)16-7-8-25-11-16/h5-8,10-13,18H,9H2,1-4H3,(H,21,24)/t13-,18+/m0/s1
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n/an/an/a 300n/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to BRD2 bromodomain 2 (348 to 455 residues) (unknown origin) by ITC


Bioorg Med Chem 26: 25-36 (2018)


Article DOI: 10.1016/j.bmc.2017.10.042
BindingDB Entry DOI: 10.7270/Q2B56NB2
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50452556
PNG
(CHEMBL4210405)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccsc1
Show InChI InChI=1S/C20H24N2O3S/c1-12(2)25-20(24)21-18-9-13(3)22(14(4)23)19-6-5-15(10-17(18)19)16-7-8-26-11-16/h5-8,10-13,18H,9H2,1-4H3,(H,21,24)/t13-,18+/m0/s1
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n/an/an/a 17n/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to BRD2 bromodomain 2 (348 to 455 residues) (unknown origin) by ITC


Bioorg Med Chem 26: 25-36 (2018)


Article DOI: 10.1016/j.bmc.2017.10.042
BindingDB Entry DOI: 10.7270/Q2B56NB2
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50452557
PNG
(CHEMBL4206677)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1cc[nH]c1
Show InChI InChI=1S/C20H25N3O3/c1-12(2)26-20(25)22-18-9-13(3)23(14(4)24)19-6-5-15(10-17(18)19)16-7-8-21-11-16/h5-8,10-13,18,21H,9H2,1-4H3,(H,22,25)/t13-,18+/m0/s1
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n/an/an/a 77n/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged BRD2 bromodomain 2 (unknown origin) by SPR assay


Bioorg Med Chem 26: 25-36 (2018)


Article DOI: 10.1016/j.bmc.2017.10.042
BindingDB Entry DOI: 10.7270/Q2B56NB2
More data for this
Ligand-Target Pair
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