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Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with all data for entry = 50002035   
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 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 30n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BRD2 bromodomain 2 (342 to 460 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by ...


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))
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 170n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BRD2 bromodomain 2 (342 to 460 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by ...


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))
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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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BRD2 bromodomain 1 (49 to 170 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by s...


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 | US11028051, Cmpd 55)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1cc[nH]c1 |r|
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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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BRD2 bromodomain 2 (342 to 460 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by ...


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))
BDBM50452551
PNG
(CHEMBL4209110 | US11028051, Cmpd 50)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccco1 |r|
Show InChI InChI=1S/C20H24N2O4/c1-12(2)26-20(24)21-17-10-13(3)22(14(4)23)18-8-7-15(11-16(17)18)19-6-5-9-25-19/h5-9,11-13,17H,10H2,1-4H3,(H,21,24)/t13-,17+/m0/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BRD2 bromodomain 2 (342 to 460 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by ...


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))
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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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BRD2 bromodomain 1 (49 to 170 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by s...


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))
BDBM50452552
PNG
(CHEMBL4205876 | US11028051, Cmpd 52)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1cccs1 |r|
Show InChI InChI=1S/C20H24N2O3S/c1-12(2)25-20(24)21-17-10-13(3)22(14(4)23)18-8-7-15(11-16(17)18)19-6-5-9-26-19/h5-9,11-13,17H,10H2,1-4H3,(H,21,24)/t13-,17+/m0/s1
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n/an/a 830n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BRD2 bromodomain 2 (342 to 460 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by ...


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 | US11028051, Cmpd 53)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccsc1 |r|
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/a 1.08E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BRD2 bromodomain 2 (342 to 460 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by ...


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))
BDBM50452553
PNG
(CHEMBL4202664 | US11028051, Cmpd 54)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccc[nH]1 |r|
Show InChI InChI=1S/C20H25N3O3/c1-12(2)26-20(25)22-18-10-13(3)23(14(4)24)19-8-7-15(11-16(18)19)17-6-5-9-21-17/h5-9,11-13,18,21H,10H2,1-4H3,(H,22,25)/t13-,18+/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BRD2 bromodomain 2 (342 to 460 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by ...


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))
BDBM50452553
PNG
(CHEMBL4202664 | US11028051, Cmpd 54)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccc[nH]1 |r|
Show InChI InChI=1S/C20H25N3O3/c1-12(2)26-20(25)22-18-10-13(3)23(14(4)24)19-8-7-15(11-16(18)19)17-6-5-9-21-17/h5-9,11-13,18,21H,10H2,1-4H3,(H,22,25)/t13-,18+/m0/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BRD2 bromodomain 1 (49 to 170 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by s...


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))
BDBM50452552
PNG
(CHEMBL4205876 | US11028051, Cmpd 52)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1cccs1 |r|
Show InChI InChI=1S/C20H24N2O3S/c1-12(2)25-20(24)21-17-10-13(3)22(14(4)23)18-8-7-15(11-16(17)18)19-6-5-9-26-19/h5-9,11-13,17H,10H2,1-4H3,(H,21,24)/t13-,17+/m0/s1
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n/an/a 1.77E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BRD2 bromodomain 1 (49 to 170 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by s...


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 | US11028051, Cmpd 51)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccoc1 |r|
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/a 1.91E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BRD2 bromodomain 2 (342 to 460 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by ...


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))
BDBM50452551
PNG
(CHEMBL4209110 | US11028051, Cmpd 50)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccco1 |r|
Show InChI InChI=1S/C20H24N2O4/c1-12(2)26-20(24)21-17-10-13(3)22(14(4)23)18-8-7-15(11-16(17)18)19-6-5-9-25-19/h5-9,11-13,17H,10H2,1-4H3,(H,21,24)/t13-,17+/m0/s1
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n/an/a 2.02E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BRD2 bromodomain 1 (49 to 170 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by s...


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 | US11028051, Cmpd 55)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1cc[nH]c1 |r|
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/a 2.48E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BRD2 bromodomain 1 (49 to 170 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by s...


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 | US11028051, Cmpd 53)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccsc1 |r|
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/a 5.21E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BRD2 bromodomain 1 (49 to 170 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by s...


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 | US11028051, Cmpd 51)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccoc1 |r|
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/a 5.80E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BRD2 bromodomain 1 (49 to 170 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by s...


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 | US11028051, Cmpd 55)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1cc[nH]c1 |r|
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 92n/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to BRD2 bromodomain 1 (74 to 194 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 | US11028051, Cmpd 53)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccsc1 |r|
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 105n/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))
BDBM50452557
PNG
(CHEMBL4206677 | US11028051, Cmpd 55)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1cc[nH]c1 |r|
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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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))
BDBM50452552
PNG
(CHEMBL4205876 | US11028051, Cmpd 52)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1cccs1 |r|
Show InChI InChI=1S/C20H24N2O3S/c1-12(2)25-20(24)21-17-10-13(3)22(14(4)23)18-8-7-15(11-16(17)18)19-6-5-9-26-19/h5-9,11-13,17H,10H2,1-4H3,(H,21,24)/t13-,17+/m0/s1
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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
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50452553
PNG
(CHEMBL4202664 | US11028051, Cmpd 54)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccc[nH]1 |r|
Show InChI InChI=1S/C20H25N3O3/c1-12(2)26-20(25)22-18-10-13(3)23(14(4)24)19-8-7-15(11-16(18)19)17-6-5-9-21-17/h5-9,11-13,18,21H,10H2,1-4H3,(H,22,25)/t13-,18+/m0/s1
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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))
BDBM50452554
PNG
(CHEMBL4207106 | US11028051, Cmpd 51)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccoc1 |r|
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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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
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/an/a 112n/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))
BDBM50452551
PNG
(CHEMBL4209110 | US11028051, Cmpd 50)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccco1 |r|
Show InChI InChI=1S/C20H24N2O4/c1-12(2)26-20(24)21-17-10-13(3)22(14(4)23)18-8-7-15(11-16(17)18)19-6-5-9-25-19/h5-9,11-13,17H,10H2,1-4H3,(H,21,24)/t13-,17+/m0/s1
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n/an/an/a 2.19E+3n/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to BRD2 bromodomain 1 (74 to 194 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))
BDBM50452553
PNG
(CHEMBL4202664 | US11028051, Cmpd 54)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccc[nH]1 |r|
Show InChI InChI=1S/C20H25N3O3/c1-12(2)26-20(25)22-18-10-13(3)23(14(4)24)19-8-7-15(11-16(18)19)17-6-5-9-21-17/h5-9,11-13,18,21H,10H2,1-4H3,(H,22,25)/t13-,18+/m0/s1
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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))
BDBM50452556
PNG
(CHEMBL4210405 | US11028051, Cmpd 53)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccsc1 |r|
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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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
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50452554
PNG
(CHEMBL4207106 | US11028051, Cmpd 51)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccoc1 |r|
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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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to BRD2 bromodomain 1 (74 to 194 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 | US11028051, Cmpd 53)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccsc1 |r|
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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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to BRD2 bromodomain 1 (74 to 194 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 | US11028051, Cmpd 55)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1cc[nH]c1 |r|
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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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
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50452556
PNG
(CHEMBL4210405 | US11028051, Cmpd 53)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccsc1 |r|
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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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))
BDBM50452554
PNG
(CHEMBL4207106 | US11028051, Cmpd 51)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccoc1 |r|
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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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))
BDBM50452554
PNG
(CHEMBL4207106 | US11028051, Cmpd 51)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccoc1 |r|
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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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))
BDBM50452553
PNG
(CHEMBL4202664 | US11028051, Cmpd 54)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccc[nH]1 |r|
Show InChI InChI=1S/C20H25N3O3/c1-12(2)26-20(25)22-18-10-13(3)23(14(4)24)19-8-7-15(11-16(18)19)17-6-5-9-21-17/h5-9,11-13,18,21H,10H2,1-4H3,(H,22,25)/t13-,18+/m0/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to BRD2 bromodomain 1 (74 to 194 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))
BDBM50452553
PNG
(CHEMBL4202664 | US11028051, Cmpd 54)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccc[nH]1 |r|
Show InChI InChI=1S/C20H25N3O3/c1-12(2)26-20(25)22-18-10-13(3)23(14(4)24)19-8-7-15(11-16(18)19)17-6-5-9-21-17/h5-9,11-13,18,21H,10H2,1-4H3,(H,22,25)/t13-,18+/m0/s1
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n/an/an/a 74n/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
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50452552
PNG
(CHEMBL4205876 | US11028051, Cmpd 52)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1cccs1 |r|
Show InChI InChI=1S/C20H24N2O3S/c1-12(2)25-20(24)21-17-10-13(3)22(14(4)23)18-8-7-15(11-16(17)18)19-6-5-9-26-19/h5-9,11-13,17H,10H2,1-4H3,(H,21,24)/t13-,17+/m0/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to BRD2 bromodomain 1 (74 to 194 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))
BDBM50452551
PNG
(CHEMBL4209110 | US11028051, Cmpd 50)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccco1 |r|
Show InChI InChI=1S/C20H24N2O4/c1-12(2)26-20(24)21-17-10-13(3)22(14(4)23)18-8-7-15(11-16(17)18)19-6-5-9-25-19/h5-9,11-13,17H,10H2,1-4H3,(H,21,24)/t13-,17+/m0/s1
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n/an/an/an/a 480n/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of BRD2 in human HD-MB03 cells assessed as reduction in c-Myc protein expression after 72 hrs by Hoechst 33342 staining based immunofluore...


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))
BDBM50452551
PNG
(CHEMBL4209110 | US11028051, Cmpd 50)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccco1 |r|
Show InChI InChI=1S/C20H24N2O4/c1-12(2)26-20(24)21-17-10-13(3)22(14(4)23)18-8-7-15(11-16(17)18)19-6-5-9-25-19/h5-9,11-13,17H,10H2,1-4H3,(H,21,24)/t13-,17+/m0/s1
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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))
BDBM50452551
PNG
(CHEMBL4209110 | US11028051, Cmpd 50)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccco1 |r|
Show InChI InChI=1S/C20H24N2O4/c1-12(2)26-20(24)21-17-10-13(3)22(14(4)23)18-8-7-15(11-16(17)18)19-6-5-9-25-19/h5-9,11-13,17H,10H2,1-4H3,(H,21,24)/t13-,17+/m0/s1
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n/an/an/a 80n/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))
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/an/a 104n/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))
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/an/a 116n/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
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/an/a 89n/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to BRD2 bromodomain 1 (74 to 194 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))
BDBM50452552
PNG
(CHEMBL4205876 | US11028051, Cmpd 52)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1cccs1 |r|
Show InChI InChI=1S/C20H24N2O3S/c1-12(2)25-20(24)21-17-10-13(3)22(14(4)23)18-8-7-15(11-16(17)18)19-6-5-9-26-19/h5-9,11-13,17H,10H2,1-4H3,(H,21,24)/t13-,17+/m0/s1
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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 | US11028051, Cmpd 55)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1cc[nH]c1 |r|
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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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))
BDBM50452551
PNG
(CHEMBL4209110 | US11028051, Cmpd 50)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccco1 |r|
Show InChI InChI=1S/C20H24N2O4/c1-12(2)26-20(24)21-17-10-13(3)22(14(4)23)18-8-7-15(11-16(17)18)19-6-5-9-25-19/h5-9,11-13,17H,10H2,1-4H3,(H,21,24)/t13-,17+/m0/s1
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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
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50452552
PNG
(CHEMBL4205876 | US11028051, Cmpd 52)
Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1cccs1 |r|
Show InChI InChI=1S/C20H24N2O3S/c1-12(2)25-20(24)21-17-10-13(3)22(14(4)23)18-8-7-15(11-16(17)18)19-6-5-9-26-19/h5-9,11-13,17H,10H2,1-4H3,(H,21,24)/t13-,17+/m0/s1
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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