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Compile Data Set for Download or QSAR

Found 73 hits Enz. Inhib. hit(s) with all data for entry = 50009353   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50527819
PNG
(CHEMBL4557050 | US11117865, Compound ZL0516)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@H](O)CN2CCN(C)CC2)c(C)c1 |r|
Show InChI InChI=1S/C27H34N2O6/c1-17-10-19(23-14-22(31)26-24(33-5)12-21(32-4)13-25(26)35-23)11-18(2)27(17)34-16-20(30)15-29-8-6-28(3)7-9-29/h10-14,20,30H,6-9,15-16H2,1-5H3/t20-/m1/s1
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n/an/a 280n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in poly(I:C)-stimulated human SAECs TLR3-inducible CIG5 gene expression pre-incubated for 24 hrs before poly(I:C) stimulation for ...


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50527819
PNG
(CHEMBL4557050 | US11117865, Compound ZL0516)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@H](O)CN2CCN(C)CC2)c(C)c1 |r|
Show InChI InChI=1S/C27H34N2O6/c1-17-10-19(23-14-22(31)26-24(33-5)12-21(32-4)13-25(26)35-23)11-18(2)27(17)34-16-20(30)15-29-8-6-28(3)7-9-29/h10-14,20,30H,6-9,15-16H2,1-5H3/t20-/m1/s1
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n/an/a 310n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in poly(I:C)-stimulated human SAECs TLR3-inducible IL-6 gene expression pre-incubated for 24 hrs before poly(I:C) stimulation for ...


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50527821
PNG
(CHEMBL4455209)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@H](O)CN2CCCCC2)c(C)c1 |r|
Show InChI InChI=1S/C27H33NO6/c1-17-10-19(11-18(2)27(17)33-16-20(29)15-28-8-6-5-7-9-28)23-14-22(30)26-24(32-4)12-21(31-3)13-25(26)34-23/h10-14,20,29H,5-9,15-16H2,1-4H3/t20-/m1/s1
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n/an/a 520n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in poly(I:C)-stimulated human SAECs TLR3-inducible CIG5 gene expression pre-incubated for 24 hrs before poly(I:C) stimulation for ...


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50527820
PNG
(CHEMBL4549898)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@@H](O)CN2CCCCC2)c(C)c1 |r|
Show InChI InChI=1S/C27H33NO6/c1-17-10-19(11-18(2)27(17)33-16-20(29)15-28-8-6-5-7-9-28)23-14-22(30)26-24(32-4)12-21(31-3)13-25(26)34-23/h10-14,20,29H,5-9,15-16H2,1-4H3/t20-/m0/s1
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n/an/a 540n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in poly(I:C)-stimulated human SAECs TLR3-inducible IL-6 gene expression pre-incubated for 24 hrs before poly(I:C) stimulation for ...


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50527820
PNG
(CHEMBL4549898)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@@H](O)CN2CCCCC2)c(C)c1 |r|
Show InChI InChI=1S/C27H33NO6/c1-17-10-19(11-18(2)27(17)33-16-20(29)15-28-8-6-5-7-9-28)23-14-22(30)26-24(32-4)12-21(31-3)13-25(26)34-23/h10-14,20,29H,5-9,15-16H2,1-4H3/t20-/m0/s1
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n/an/a 580n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in poly(I:C)-stimulated human SAECs TLR3-inducible CIG5 gene expression pre-incubated for 24 hrs before poly(I:C) stimulation for ...


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50527823
PNG
(CHEMBL4517875)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@@H](O)CN2CCN(C)CC2)c(C)c1 |r|
Show InChI InChI=1S/C27H34N2O6/c1-17-10-19(23-14-22(31)26-24(33-5)12-21(32-4)13-25(26)35-23)11-18(2)27(17)34-16-20(30)15-29-8-6-28(3)7-9-29/h10-14,20,30H,6-9,15-16H2,1-5H3/t20-/m0/s1
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n/an/a 750n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in poly(I:C)-stimulated human SAECs TLR3-inducible IL-6 gene expression pre-incubated for 24 hrs before poly(I:C) stimulation for ...


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50527823
PNG
(CHEMBL4517875)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@@H](O)CN2CCN(C)CC2)c(C)c1 |r|
Show InChI InChI=1S/C27H34N2O6/c1-17-10-19(23-14-22(31)26-24(33-5)12-21(32-4)13-25(26)35-23)11-18(2)27(17)34-16-20(30)15-29-8-6-28(3)7-9-29/h10-14,20,30H,6-9,15-16H2,1-5H3/t20-/m0/s1
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n/an/a 830n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in poly(I:C)-stimulated human SAECs TLR3-inducible CIG5 gene expression pre-incubated for 24 hrs before poly(I:C) stimulation for ...


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(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 950n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in poly(I:C)-stimulated human SAECs TLR3-inducible CIG5 gene expression pre-incubated for 24 hrs before poly(I:C) stimulation for ...


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50527825
PNG
(CHEMBL4453427)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@H](O)CN2CCCC2)c(C)c1 |r|
Show InChI InChI=1S/C26H31NO6/c1-16-9-18(10-17(2)26(16)32-15-19(28)14-27-7-5-6-8-27)22-13-21(29)25-23(31-4)11-20(30-3)12-24(25)33-22/h9-13,19,28H,5-8,14-15H2,1-4H3/t19-/m1/s1
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n/an/a 970n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in poly(I:C)-stimulated human SAECs TLR3-inducible IL-6 gene expression pre-incubated for 24 hrs before poly(I:C) stimulation for ...


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(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 1.02E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in poly(I:C)-stimulated human SAECs TLR3-inducible IL-6 gene expression pre-incubated for 24 hrs before poly(I:C) stimulation for ...


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50527821
PNG
(CHEMBL4455209)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@H](O)CN2CCCCC2)c(C)c1 |r|
Show InChI InChI=1S/C27H33NO6/c1-17-10-19(11-18(2)27(17)33-16-20(29)15-28-8-6-5-7-9-28)23-14-22(30)26-24(32-4)12-21(31-3)13-25(26)34-23/h10-14,20,29H,5-9,15-16H2,1-4H3/t20-/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in poly(I:C)-stimulated human SAECs TLR3-inducible IL-6 gene expression pre-incubated for 24 hrs before poly(I:C) stimulation for ...


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50527825
PNG
(CHEMBL4453427)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@H](O)CN2CCCC2)c(C)c1 |r|
Show InChI InChI=1S/C26H31NO6/c1-16-9-18(10-17(2)26(16)32-15-19(28)14-27-7-5-6-8-27)22-13-21(29)25-23(31-4)11-20(30-3)12-24(25)33-22/h9-13,19,28H,5-8,14-15H2,1-4H3/t19-/m1/s1
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n/an/a 1.48E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in poly(I:C)-stimulated human SAECs TLR3-inducible CIG5 gene expression pre-incubated for 24 hrs before poly(I:C) stimulation for ...


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
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/a 1.66E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in poly(I:C)-stimulated human SAECs TLR3-inducible CIG5 gene expression pre-incubated for 24 hrs before poly(I:C) stimulation for ...


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50527824
PNG
(CHEMBL4555828)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OC[C@@H](O)CN2CCN(C)CC2)c(C)c1 |r|
Show InChI InChI=1S/C26H34N4O5/c1-16-10-18(25-27-21-12-20(33-4)13-22(34-5)23(21)26(32)28-25)11-17(2)24(16)35-15-19(31)14-30-8-6-29(3)7-9-30/h10-13,19,31H,6-9,14-15H2,1-5H3,(H,27,28,32)/t19-/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in poly(I:C)-stimulated human SAECs TLR3-inducible CIG5 gene expression pre-incubated for 24 hrs before poly(I:C) stimulation for ...


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50527822
PNG
(CHEMBL4543985)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C21H22O6/c1-12-7-14(8-13(2)21(12)26-6-5-22)17-11-16(23)20-18(25-4)9-15(24-3)10-19(20)27-17/h7-11,22H,5-6H2,1-4H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in poly(I:C)-stimulated human SAECs TLR3-inducible CIG5 gene expression pre-incubated for 24 hrs before poly(I:C) stimulation for ...


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50527822
PNG
(CHEMBL4543985)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OCCO)c(C)c1
Show InChI InChI=1S/C21H22O6/c1-12-7-14(8-13(2)21(12)26-6-5-22)17-11-16(23)20-18(25-4)9-15(24-3)10-19(20)27-17/h7-11,22H,5-6H2,1-4H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in poly(I:C)-stimulated human SAECs TLR3-inducible IL-6 gene expression pre-incubated for 24 hrs before poly(I:C) stimulation for ...


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
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/a 3.29E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in poly(I:C)-stimulated human SAECs TLR3-inducible IL-6 gene expression pre-incubated for 24 hrs before poly(I:C) stimulation for ...


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50527824
PNG
(CHEMBL4555828)
Show SMILES COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OC[C@@H](O)CN2CCN(C)CC2)c(C)c1 |r|
Show InChI InChI=1S/C26H34N4O5/c1-16-10-18(25-27-21-12-20(33-4)13-22(34-5)23(21)26(32)28-25)11-17(2)24(16)35-15-19(31)14-30-8-6-29(3)7-9-30/h10-13,19,31H,6-9,14-15H2,1-5H3,(H,27,28,32)/t19-/m0/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in poly(I:C)-stimulated human SAECs TLR3-inducible IL-6 gene expression pre-incubated for 24 hrs before poly(I:C) stimulation for ...


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50527819
PNG
(CHEMBL4557050 | US11117865, Compound ZL0516)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@H](O)CN2CCN(C)CC2)c(C)c1 |r|
Show InChI InChI=1S/C27H34N2O6/c1-17-10-19(23-14-22(31)26-24(33-5)12-21(32-4)13-25(26)35-23)11-18(2)27(17)34-16-20(30)15-29-8-6-28(3)7-9-29/h10-14,20,30H,6-9,15-16H2,1-5H3/t20-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50527823
PNG
(CHEMBL4517875)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@@H](O)CN2CCN(C)CC2)c(C)c1 |r|
Show InChI InChI=1S/C27H34N2O6/c1-17-10-19(23-14-22(31)26-24(33-5)12-21(32-4)13-25(26)35-23)11-18(2)27(17)34-16-20(30)15-29-8-6-28(3)7-9-29/h10-14,20,30H,6-9,15-16H2,1-5H3/t20-/m0/s1
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n/an/an/a 2.55E+3n/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Binding affinity to recombinant BRDT BD2 (unknown origin) incubated for 1 hr by TR-FRET assay


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50527819
PNG
(CHEMBL4557050 | US11117865, Compound ZL0516)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@H](O)CN2CCN(C)CC2)c(C)c1 |r|
Show InChI InChI=1S/C27H34N2O6/c1-17-10-19(23-14-22(31)26-24(33-5)12-21(32-4)13-25(26)35-23)11-18(2)27(17)34-16-20(30)15-29-8-6-28(3)7-9-29/h10-14,20,30H,6-9,15-16H2,1-5H3/t20-/m1/s1
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n/an/an/a 3.18E+3n/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Binding affinity to recombinant BRDT BD2 (unknown origin) incubated for 1 hr by TR-FRET assay


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50527820
PNG
(CHEMBL4549898)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@@H](O)CN2CCCCC2)c(C)c1 |r|
Show InChI InChI=1S/C27H33NO6/c1-17-10-19(11-18(2)27(17)33-16-20(29)15-28-8-6-5-7-9-28)23-14-22(30)26-24(32-4)12-21(31-3)13-25(26)34-23/h10-14,20,29H,5-9,15-16H2,1-4H3/t20-/m0/s1
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n/an/an/a>1.00E+4n/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Binding affinity to recombinant CBP (unknown origin) incubated for 1 hr by TR-FRET assay


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50527821
PNG
(CHEMBL4455209)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@H](O)CN2CCCCC2)c(C)c1 |r|
Show InChI InChI=1S/C27H33NO6/c1-17-10-19(11-18(2)27(17)33-16-20(29)15-28-8-6-5-7-9-28)23-14-22(30)26-24(32-4)12-21(31-3)13-25(26)34-23/h10-14,20,29H,5-9,15-16H2,1-4H3/t20-/m1/s1
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n/an/an/a>1.00E+4n/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Binding affinity to recombinant CBP (unknown origin) incubated for 1 hr by TR-FRET assay


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
CREB-binding protein


(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 9.60E+3n/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Binding affinity to recombinant CBP (unknown origin) incubated for 1 hr by TR-FRET assay


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
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 1.14E+3n/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Binding affinity to recombinant BRD4 BD1 (unknown origin) incubated for 1 hr by TR-FRET assay


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(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 92n/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Binding affinity to recombinant BRD4 BD1 (unknown origin) incubated for 1 hr by TR-FRET assay


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50527819
PNG
(CHEMBL4557050 | US11117865, Compound ZL0516)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@H](O)CN2CCN(C)CC2)c(C)c1 |r|
Show InChI InChI=1S/C27H34N2O6/c1-17-10-19(23-14-22(31)26-24(33-5)12-21(32-4)13-25(26)35-23)11-18(2)27(17)34-16-20(30)15-29-8-6-28(3)7-9-29/h10-14,20,30H,6-9,15-16H2,1-5H3/t20-/m1/s1
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n/an/an/a 718n/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Binding affinity to recombinant BRD4 BD2 (unknown origin) incubated for 1 hr by TR-FRET assay


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50527819
PNG
(CHEMBL4557050 | US11117865, Compound ZL0516)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@H](O)CN2CCN(C)CC2)c(C)c1 |r|
Show InChI InChI=1S/C27H34N2O6/c1-17-10-19(23-14-22(31)26-24(33-5)12-21(32-4)13-25(26)35-23)11-18(2)27(17)34-16-20(30)15-29-8-6-28(3)7-9-29/h10-14,20,30H,6-9,15-16H2,1-5H3/t20-/m1/s1
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n/an/an/a 886n/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Binding affinity to recombinant BRD2 BD1 (unknown origin) incubated for 1 hr by TR-FRET assay


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50527820
PNG
(CHEMBL4549898)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@@H](O)CN2CCCCC2)c(C)c1 |r|
Show InChI InChI=1S/C27H33NO6/c1-17-10-19(11-18(2)27(17)33-16-20(29)15-28-8-6-5-7-9-28)23-14-22(30)26-24(32-4)12-21(31-3)13-25(26)34-23/h10-14,20,29H,5-9,15-16H2,1-4H3/t20-/m0/s1
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n/an/an/a 1.20E+3n/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Binding affinity to recombinant BRD2 BD2 (unknown origin) incubated for 1 hr by TR-FRET assay


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50527823
PNG
(CHEMBL4517875)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@@H](O)CN2CCN(C)CC2)c(C)c1 |r|
Show InChI InChI=1S/C27H34N2O6/c1-17-10-19(23-14-22(31)26-24(33-5)12-21(32-4)13-25(26)35-23)11-18(2)27(17)34-16-20(30)15-29-8-6-28(3)7-9-29/h10-14,20,30H,6-9,15-16H2,1-5H3/t20-/m0/s1
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n/an/an/a 2.63E+3n/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Binding affinity to recombinant BRD3 BD1 (unknown origin) incubated for 1 hr by TR-FRET assay


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(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 81n/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Binding affinity to recombinant BRD3 BD1 (unknown origin) incubated for 1 hr by TR-FRET assay


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
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 4.84E+3n/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Binding affinity to recombinant BRDT BD1 (unknown origin) incubated for 1 hr by TR-FRET assay


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50527819
PNG
(CHEMBL4557050 | US11117865, Compound ZL0516)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@H](O)CN2CCN(C)CC2)c(C)c1 |r|
Show InChI InChI=1S/C27H34N2O6/c1-17-10-19(23-14-22(31)26-24(33-5)12-21(32-4)13-25(26)35-23)11-18(2)27(17)34-16-20(30)15-29-8-6-28(3)7-9-29/h10-14,20,30H,6-9,15-16H2,1-5H3/t20-/m1/s1
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n/an/an/a 3.59E+3n/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Binding affinity to recombinant BRDT BD1 (unknown origin) incubated for 1 hr by TR-FRET assay


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50527821
PNG
(CHEMBL4455209)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@H](O)CN2CCCCC2)c(C)c1 |r|
Show InChI InChI=1S/C27H33NO6/c1-17-10-19(11-18(2)27(17)33-16-20(29)15-28-8-6-5-7-9-28)23-14-22(30)26-24(32-4)12-21(31-3)13-25(26)34-23/h10-14,20,29H,5-9,15-16H2,1-4H3/t20-/m1/s1
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n/an/an/a 2.32E+3n/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Binding affinity to recombinant BRDT BD2 (unknown origin) incubated for 1 hr by TR-FRET assay


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50527823
PNG
(CHEMBL4517875)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@@H](O)CN2CCN(C)CC2)c(C)c1 |r|
Show InChI InChI=1S/C27H34N2O6/c1-17-10-19(23-14-22(31)26-24(33-5)12-21(32-4)13-25(26)35-23)11-18(2)27(17)34-16-20(30)15-29-8-6-28(3)7-9-29/h10-14,20,30H,6-9,15-16H2,1-5H3/t20-/m0/s1
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n/an/an/a>1.00E+4n/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Binding affinity to recombinant CBP (unknown origin) incubated for 1 hr by TR-FRET assay


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50527823
PNG
(CHEMBL4517875)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@@H](O)CN2CCN(C)CC2)c(C)c1 |r|
Show InChI InChI=1S/C27H34N2O6/c1-17-10-19(23-14-22(31)26-24(33-5)12-21(32-4)13-25(26)35-23)11-18(2)27(17)34-16-20(30)15-29-8-6-28(3)7-9-29/h10-14,20,30H,6-9,15-16H2,1-5H3/t20-/m0/s1
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n/an/an/a 127n/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Binding affinity to recombinant BRD4 BD1 (unknown origin) incubated for 1 hr by TR-FRET assay


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
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 135n/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Binding affinity to recombinant BRD4 BD2 (unknown origin) incubated for 1 hr by TR-FRET assay


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50527821
PNG
(CHEMBL4455209)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@H](O)CN2CCCCC2)c(C)c1 |r|
Show InChI InChI=1S/C27H33NO6/c1-17-10-19(11-18(2)27(17)33-16-20(29)15-28-8-6-5-7-9-28)23-14-22(30)26-24(32-4)12-21(31-3)13-25(26)34-23/h10-14,20,29H,5-9,15-16H2,1-4H3/t20-/m1/s1
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n/an/an/a 791n/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Binding affinity to recombinant BRD2 BD1 (unknown origin) incubated for 1 hr by TR-FRET assay


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50527820
PNG
(CHEMBL4549898)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@@H](O)CN2CCCCC2)c(C)c1 |r|
Show InChI InChI=1S/C27H33NO6/c1-17-10-19(11-18(2)27(17)33-16-20(29)15-28-8-6-5-7-9-28)23-14-22(30)26-24(32-4)12-21(31-3)13-25(26)34-23/h10-14,20,29H,5-9,15-16H2,1-4H3/t20-/m0/s1
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n/an/an/a 1.72E+3n/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Binding affinity to recombinant BRD3 BD2 (unknown origin) incubated for 1 hr by TR-FRET assay


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50527821
PNG
(CHEMBL4455209)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@H](O)CN2CCCCC2)c(C)c1 |r|
Show InChI InChI=1S/C27H33NO6/c1-17-10-19(11-18(2)27(17)33-16-20(29)15-28-8-6-5-7-9-28)23-14-22(30)26-24(32-4)12-21(31-3)13-25(26)34-23/h10-14,20,29H,5-9,15-16H2,1-4H3/t20-/m1/s1
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n/an/an/a 2.87E+3n/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Binding affinity to recombinant BRDT BD1 (unknown origin) incubated for 1 hr by TR-FRET assay


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
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>1.00E+4n/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Binding affinity to recombinant CBP (unknown origin) incubated for 1 hr by TR-FRET assay


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50527823
PNG
(CHEMBL4517875)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@@H](O)CN2CCN(C)CC2)c(C)c1 |r|
Show InChI InChI=1S/C27H34N2O6/c1-17-10-19(23-14-22(31)26-24(33-5)12-21(32-4)13-25(26)35-23)11-18(2)27(17)34-16-20(30)15-29-8-6-28(3)7-9-29/h10-14,20,30H,6-9,15-16H2,1-5H3/t20-/m0/s1
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n/an/an/a 139n/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Binding affinity to recombinant BRD4 BD2 (unknown origin) incubated for 1 hr by TR-FRET assay


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50527821
PNG
(CHEMBL4455209)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@H](O)CN2CCCCC2)c(C)c1 |r|
Show InChI InChI=1S/C27H33NO6/c1-17-10-19(11-18(2)27(17)33-16-20(29)15-28-8-6-5-7-9-28)23-14-22(30)26-24(32-4)12-21(31-3)13-25(26)34-23/h10-14,20,29H,5-9,15-16H2,1-4H3/t20-/m1/s1
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n/an/an/a 845n/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Binding affinity to recombinant BRD2 BD2 (unknown origin) incubated for 1 hr by TR-FRET assay


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(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 69n/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Binding affinity to recombinant BRD3 BD2 (unknown origin) incubated for 1 hr by TR-FRET assay


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(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 217n/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Binding affinity to recombinant BRDT BD2 (unknown origin) incubated for 1 hr by TR-FRET assay


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
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 52n/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Binding affinity to recombinant BRD2 BD2 (unknown origin) incubated for 1 hr by TR-FRET assay


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50527819
PNG
(CHEMBL4557050 | US11117865, Compound ZL0516)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@H](O)CN2CCN(C)CC2)c(C)c1 |r|
Show InChI InChI=1S/C27H34N2O6/c1-17-10-19(23-14-22(31)26-24(33-5)12-21(32-4)13-25(26)35-23)11-18(2)27(17)34-16-20(30)15-29-8-6-28(3)7-9-29/h10-14,20,30H,6-9,15-16H2,1-5H3/t20-/m1/s1
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n/an/an/a 84n/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Binding affinity to recombinant BRD4 BD1 (unknown origin) incubated for 1 hr by TR-FRET assay


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50527820
PNG
(CHEMBL4549898)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@@H](O)CN2CCCCC2)c(C)c1 |r|
Show InChI InChI=1S/C27H33NO6/c1-17-10-19(11-18(2)27(17)33-16-20(29)15-28-8-6-5-7-9-28)23-14-22(30)26-24(32-4)12-21(31-3)13-25(26)34-23/h10-14,20,29H,5-9,15-16H2,1-4H3/t20-/m0/s1
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n/an/an/a 1.21E+3n/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Binding affinity to recombinant BRD2 BD1 (unknown origin) incubated for 1 hr by TR-FRET assay


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50527819
PNG
(CHEMBL4557050 | US11117865, Compound ZL0516)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@H](O)CN2CCN(C)CC2)c(C)c1 |r|
Show InChI InChI=1S/C27H34N2O6/c1-17-10-19(23-14-22(31)26-24(33-5)12-21(32-4)13-25(26)35-23)11-18(2)27(17)34-16-20(30)15-29-8-6-28(3)7-9-29/h10-14,20,30H,6-9,15-16H2,1-5H3/t20-/m1/s1
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n/an/an/a>1.00E+4n/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Binding affinity to recombinant CBP (unknown origin) incubated for 1 hr by TR-FRET assay


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50103503
PNG
(CHEMBL2393130 | US11117865, Compound RVX-208)
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 3.96E+3n/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Binding affinity to recombinant BRD3 BD1 (unknown origin) incubated for 1 hr by TR-FRET assay


J Med Chem 63: 5242-5256 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00035
BindingDB Entry DOI: 10.7270/Q2PK0KMS
More data for this
Ligand-Target Pair
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