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Compile Data Set for Download or QSAR

Found 38 hits Enz. Inhib. hit(s) with all data for entry = 50045620   
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))
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/a 58n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy


J Med Chem 58: 1281-97 (2015)


Article DOI: 10.1021/jm501504k
BindingDB Entry DOI: 10.7270/Q2P270TX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50071321
PNG
(CHEMBL3410000)
Show SMILES Cc1c(Br)cc(cc1S(=O)(=O)NC1CCCC1)-c1csc(=O)[nH]1
Show InChI InChI=1S/C15H17BrN2O3S2/c1-9-12(16)6-10(13-8-22-15(19)17-13)7-14(9)23(20,21)18-11-4-2-3-5-11/h6-8,11,18H,2-5H2,1H3,(H,17,19)
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Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy


J Med Chem 58: 1281-97 (2015)


Article DOI: 10.1021/jm501504k
BindingDB Entry DOI: 10.7270/Q2P270TX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50071105
PNG
(CHEMBL3410003)
Show SMILES O=C(Nc1cc(cc(c1)S(=O)(=O)NC1CCCC1)-c1csc(=O)[nH]1)C1CC1
Show InChI InChI=1S/C18H21N3O4S2/c22-17(11-5-6-11)19-14-7-12(16-10-26-18(23)20-16)8-15(9-14)27(24,25)21-13-3-1-2-4-13/h7-11,13,21H,1-6H2,(H,19,22)(H,20,23)
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Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy


J Med Chem 58: 1281-97 (2015)


Article DOI: 10.1021/jm501504k
BindingDB Entry DOI: 10.7270/Q2P270TX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(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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Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy


J Med Chem 58: 1281-97 (2015)


Article DOI: 10.1021/jm501504k
BindingDB Entry DOI: 10.7270/Q2P270TX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50071101
PNG
(CHEMBL3410007)
Show SMILES O=C(Nc1cc(cc(c1)S(=O)(=O)NC1CCCC1)-c1csc(=O)[nH]1)c1cccs1
Show InChI InChI=1S/C19H19N3O4S3/c23-18(17-6-3-7-27-17)20-14-8-12(16-11-28-19(24)21-16)9-15(10-14)29(25,26)22-13-4-1-2-5-13/h3,6-11,13,22H,1-2,4-5H2,(H,20,23)(H,21,24)
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Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy


J Med Chem 58: 1281-97 (2015)


Article DOI: 10.1021/jm501504k
BindingDB Entry DOI: 10.7270/Q2P270TX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50071272
PNG
(CHEMBL3409996)
Show SMILES Nc1ccc(cc1S(=O)(=O)NC1CCCC1)-c1csc(=O)[nH]1
Show InChI InChI=1S/C14H17N3O3S2/c15-11-6-5-9(12-8-21-14(18)16-12)7-13(11)22(19,20)17-10-3-1-2-4-10/h5-8,10,17H,1-4,15H2,(H,16,18)
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Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy


J Med Chem 58: 1281-97 (2015)


Article DOI: 10.1021/jm501504k
BindingDB Entry DOI: 10.7270/Q2P270TX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50071106
PNG
(CHEMBL3410002)
Show SMILES Cc1c(N)cc(cc1S(=O)(=O)NC1CCCC1)-c1csc(=O)[nH]1
Show InChI InChI=1S/C15H19N3O3S2/c1-9-12(16)6-10(13-8-22-15(19)17-13)7-14(9)23(20,21)18-11-4-2-3-5-11/h6-8,11,18H,2-5,16H2,1H3,(H,17,19)
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Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy


J Med Chem 58: 1281-97 (2015)


Article DOI: 10.1021/jm501504k
BindingDB Entry DOI: 10.7270/Q2P270TX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50071103
PNG
(CHEMBL3410005)
Show SMILES CCCC(=O)Nc1cc(cc(c1)S(=O)(=O)NC1CCCC1)-c1csc(=O)[nH]1
Show InChI InChI=1S/C18H23N3O4S2/c1-2-5-17(22)19-14-8-12(16-11-26-18(23)20-16)9-15(10-14)27(24,25)21-13-6-3-4-7-13/h8-11,13,21H,2-7H2,1H3,(H,19,22)(H,20,23)
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Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy


J Med Chem 58: 1281-97 (2015)


Article DOI: 10.1021/jm501504k
BindingDB Entry DOI: 10.7270/Q2P270TX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50071203
PNG
(CHEMBL3409992)
Show SMILES Cc1ccc(cc1S(=O)(=O)NC1CCCC1)-c1csc(=O)[nH]1
Show InChI InChI=1S/C15H18N2O3S2/c1-10-6-7-11(13-9-21-15(18)16-13)8-14(10)22(19,20)17-12-4-2-3-5-12/h6-9,12,17H,2-5H2,1H3,(H,16,18)
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Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy


J Med Chem 58: 1281-97 (2015)


Article DOI: 10.1021/jm501504k
BindingDB Entry DOI: 10.7270/Q2P270TX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50071104
PNG
(CHEMBL3410004)
Show SMILES Cc1c(NC(=O)C2CC2)cc(cc1S(=O)(=O)NC1CCCC1)-c1csc(=O)[nH]1
Show InChI InChI=1S/C19H23N3O4S2/c1-11-15(20-18(23)12-6-7-12)8-13(16-10-27-19(24)21-16)9-17(11)28(25,26)22-14-4-2-3-5-14/h8-10,12,14,22H,2-7H2,1H3,(H,20,23)(H,21,24)
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Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy


J Med Chem 58: 1281-97 (2015)


Article DOI: 10.1021/jm501504k
BindingDB Entry DOI: 10.7270/Q2P270TX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50071099
PNG
(CHEMBL3410009)
Show SMILES CNc1cc(cc(c1C)S(=O)(=O)NC1CCCC1)-c1csc(=O)[nH]1
Show InChI InChI=1S/C16H21N3O3S2/c1-10-13(17-2)7-11(14-9-23-16(20)18-14)8-15(10)24(21,22)19-12-5-3-4-6-12/h7-9,12,17,19H,3-6H2,1-2H3,(H,18,20)
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Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy


J Med Chem 58: 1281-97 (2015)


Article DOI: 10.1021/jm501504k
BindingDB Entry DOI: 10.7270/Q2P270TX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50071270
PNG
(CHEMBL3409994)
Show SMILES Clc1ccc(cc1S(=O)(=O)NC1CCCC1)-c1csc(=O)[nH]1
Show InChI InChI=1S/C14H15ClN2O3S2/c15-11-6-5-9(12-8-21-14(18)16-12)7-13(11)22(19,20)17-10-3-1-2-4-10/h5-8,10,17H,1-4H2,(H,16,18)
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Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy


J Med Chem 58: 1281-97 (2015)


Article DOI: 10.1021/jm501504k
BindingDB Entry DOI: 10.7270/Q2P270TX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 3


(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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Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of BRD3 (unknown origin) by fluorescence anisotrophy


J Med Chem 58: 1281-97 (2015)


Article DOI: 10.1021/jm501504k
BindingDB Entry DOI: 10.7270/Q2P270TX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50071275
PNG
(CHEMBL3409999)
Show SMILES Brc1cc(cc(c1)S(=O)(=O)NC1CCCC1)-c1csc(=O)[nH]1
Show InChI InChI=1S/C14H15BrN2O3S2/c15-10-5-9(13-8-21-14(18)16-13)6-12(7-10)22(19,20)17-11-3-1-2-4-11/h5-8,11,17H,1-4H2,(H,16,18)
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Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy


J Med Chem 58: 1281-97 (2015)


Article DOI: 10.1021/jm501504k
BindingDB Entry DOI: 10.7270/Q2P270TX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50071273
PNG
(CHEMBL3409997)
Show SMILES COCC(=O)Nc1ccc(cc1S(=O)(=O)NC1CCCC1)-c1csc(=O)[nH]1
Show InChI InChI=1S/C17H21N3O5S2/c1-25-9-16(21)18-13-7-6-11(14-10-26-17(22)19-14)8-15(13)27(23,24)20-12-4-2-3-5-12/h6-8,10,12,20H,2-5,9H2,1H3,(H,18,21)(H,19,22)
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Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy


J Med Chem 58: 1281-97 (2015)


Article DOI: 10.1021/jm501504k
BindingDB Entry DOI: 10.7270/Q2P270TX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(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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Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of BRD3 (unknown origin) by fluorescence anisotrophy


J Med Chem 58: 1281-97 (2015)


Article DOI: 10.1021/jm501504k
BindingDB Entry DOI: 10.7270/Q2P270TX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50071107
PNG
(CHEMBL3410001)
Show SMILES Nc1cc(cc(c1)S(=O)(=O)NC1CCCC1)-c1csc(=O)[nH]1
Show InChI InChI=1S/C14H17N3O3S2/c15-10-5-9(13-8-21-14(18)16-13)6-12(7-10)22(19,20)17-11-3-1-2-4-11/h5-8,11,17H,1-4,15H2,(H,16,18)
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Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy


J Med Chem 58: 1281-97 (2015)


Article DOI: 10.1021/jm501504k
BindingDB Entry DOI: 10.7270/Q2P270TX
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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Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of BRD2 (unknown origin) by fluorescence anisotrophy


J Med Chem 58: 1281-97 (2015)


Article DOI: 10.1021/jm501504k
BindingDB Entry DOI: 10.7270/Q2P270TX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50071271
PNG
(CHEMBL3409995)
Show SMILES Fc1ccc(cc1S(=O)(=O)NC1CCCC1)-c1csc(=O)[nH]1
Show InChI InChI=1S/C14H15FN2O3S2/c15-11-6-5-9(12-8-21-14(18)16-12)7-13(11)22(19,20)17-10-3-1-2-4-10/h5-8,10,17H,1-4H2,(H,16,18)
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Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy


J Med Chem 58: 1281-97 (2015)


Article DOI: 10.1021/jm501504k
BindingDB Entry DOI: 10.7270/Q2P270TX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(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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Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by fluorescence anisotrophy


J Med Chem 58: 1281-97 (2015)


Article DOI: 10.1021/jm501504k
BindingDB Entry DOI: 10.7270/Q2P270TX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50071209
PNG
(CHEMBL3409993)
Show SMILES COc1ccc(cc1S(=O)(=O)NC1CCCC1)-c1csc(=O)[nH]1
Show InChI InChI=1S/C15H18N2O4S2/c1-21-13-7-6-10(12-9-22-15(18)16-12)8-14(13)23(19,20)17-11-4-2-3-5-11/h6-9,11,17H,2-5H2,1H3,(H,16,18)
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n/an/a 760n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy


J Med Chem 58: 1281-97 (2015)


Article DOI: 10.1021/jm501504k
BindingDB Entry DOI: 10.7270/Q2P270TX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(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/a 790n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by fluorescence anisotrophy


J Med Chem 58: 1281-97 (2015)


Article DOI: 10.1021/jm501504k
BindingDB Entry DOI: 10.7270/Q2P270TX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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/a 790n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of BRD2 (unknown origin) by fluorescence anisotrophy


J Med Chem 58: 1281-97 (2015)


Article DOI: 10.1021/jm501504k
BindingDB Entry DOI: 10.7270/Q2P270TX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50071100
PNG
(CHEMBL3410008)
Show SMILES Cc1c(NC(=O)c2cccs2)cc(cc1S(=O)(=O)NC1CCCC1)-c1csc(=O)[nH]1
Show InChI InChI=1S/C20H21N3O4S3/c1-12-15(21-19(24)17-7-4-8-28-17)9-13(16-11-29-20(25)22-16)10-18(12)30(26,27)23-14-5-2-3-6-14/h4,7-11,14,23H,2-3,5-6H2,1H3,(H,21,24)(H,22,25)
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n/an/a 790n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy


J Med Chem 58: 1281-97 (2015)


Article DOI: 10.1021/jm501504k
BindingDB Entry DOI: 10.7270/Q2P270TX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50071274
PNG
(CHEMBL3409998)
Show SMILES O=C(Nc1ccc(cc1S(=O)(=O)NC1CCCC1)-c1csc(=O)[nH]1)C1CC1
Show InChI InChI=1S/C18H21N3O4S2/c22-17(11-5-6-11)19-14-8-7-12(15-10-26-18(23)20-15)9-16(14)27(24,25)21-13-3-1-2-4-13/h7-11,13,21H,1-6H2,(H,19,22)(H,20,23)
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n/an/a 800n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy


J Med Chem 58: 1281-97 (2015)


Article DOI: 10.1021/jm501504k
BindingDB Entry DOI: 10.7270/Q2P270TX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50071102
PNG
(CHEMBL3410006)
Show SMILES CCCC(=O)Nc1cc(cc(c1C)S(=O)(=O)NC1CCCC1)-c1csc(=O)[nH]1
Show InChI InChI=1S/C19H25N3O4S2/c1-3-6-18(23)20-15-9-13(16-11-27-19(24)21-16)10-17(12(15)2)28(25,26)22-14-7-4-5-8-14/h9-11,14,22H,3-8H2,1-2H3,(H,20,23)(H,21,24)
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n/an/a 930n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy


J Med Chem 58: 1281-97 (2015)


Article DOI: 10.1021/jm501504k
BindingDB Entry DOI: 10.7270/Q2P270TX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50071109
PNG
(CHEMBL3409982)
Show SMILES O=c1[nH]c(cs1)-c1cccc(c1)S(=O)(=O)NC1CCCC1
Show InChI InChI=1S/C14H16N2O3S2/c17-14-15-13(9-20-14)10-4-3-7-12(8-10)21(18,19)16-11-5-1-2-6-11/h3-4,7-9,11,16H,1-2,5-6H2,(H,15,17)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy


J Med Chem 58: 1281-97 (2015)


Article DOI: 10.1021/jm501504k
BindingDB Entry DOI: 10.7270/Q2P270TX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50071111
PNG
(CHEMBL3409984)
Show SMILES O=c1[nH]c(cs1)-c1cccc(c1)S(=O)(=O)NC1CCCCC1
Show InChI InChI=1S/C15H18N2O3S2/c18-15-16-14(10-21-15)11-5-4-8-13(9-11)22(19,20)17-12-6-2-1-3-7-12/h4-5,8-10,12,17H,1-3,6-7H2,(H,16,18)
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n/an/a 2.06E+3n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy


J Med Chem 58: 1281-97 (2015)


Article DOI: 10.1021/jm501504k
BindingDB Entry DOI: 10.7270/Q2P270TX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50071110
PNG
(CHEMBL3409983)
Show SMILES O=c1[nH]c(cs1)-c1cccc(c1)S(=O)(=O)NC1CC1
Show InChI InChI=1S/C12H12N2O3S2/c15-12-13-11(7-18-12)8-2-1-3-10(6-8)19(16,17)14-9-4-5-9/h1-3,6-7,9,14H,4-5H2,(H,13,15)
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n/an/a 2.26E+3n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy


J Med Chem 58: 1281-97 (2015)


Article DOI: 10.1021/jm501504k
BindingDB Entry DOI: 10.7270/Q2P270TX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50432486
PNG
(CHEMBL2349349)
Show SMILES O=c1[nH]c(cs1)-c1cccc(NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C13H10N2O3S3/c16-13-14-11(8-20-13)9-3-1-4-10(7-9)15-21(17,18)12-5-2-6-19-12/h1-8,15H,(H,14,16)
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n/an/a 4.10E+3n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy


J Med Chem 58: 1281-97 (2015)


Article DOI: 10.1021/jm501504k
BindingDB Entry DOI: 10.7270/Q2P270TX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50071200
PNG
(CHEMBL3409991)
Show SMILES O=c1[nH]c(cs1)-c1cccc(c1)S(=O)(=O)NC1CCOC1
Show InChI InChI=1S/C13H14N2O4S2/c16-13-14-12(8-20-13)9-2-1-3-11(6-9)21(17,18)15-10-4-5-19-7-10/h1-3,6,8,10,15H,4-5,7H2,(H,14,16)
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n/an/a 5.82E+3n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy


J Med Chem 58: 1281-97 (2015)


Article DOI: 10.1021/jm501504k
BindingDB Entry DOI: 10.7270/Q2P270TX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50071187
PNG
(CHEMBL3409987)
Show SMILES O=c1[nH]c(cs1)-c1cccc(c1)S(=O)(=O)Nc1ccon1
Show InChI InChI=1S/C12H9N3O4S2/c16-12-13-10(7-20-12)8-2-1-3-9(6-8)21(17,18)15-11-4-5-19-14-11/h1-7H,(H,13,16)(H,14,15)
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n/an/a 7.34E+3n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy


J Med Chem 58: 1281-97 (2015)


Article DOI: 10.1021/jm501504k
BindingDB Entry DOI: 10.7270/Q2P270TX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50071149
PNG
(CHEMBL3409986)
Show SMILES Nc1ccc(NS(=O)(=O)c2cccc(c2)-c2csc(=O)[nH]2)cc1
Show InChI InChI=1S/C15H13N3O3S2/c16-11-4-6-12(7-5-11)18-23(20,21)13-3-1-2-10(8-13)14-9-22-15(19)17-14/h1-9,18H,16H2,(H,17,19)
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n/an/a 8.33E+3n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy


J Med Chem 58: 1281-97 (2015)


Article DOI: 10.1021/jm501504k
BindingDB Entry DOI: 10.7270/Q2P270TX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50071198
PNG
(CHEMBL3409990)
Show SMILES O=c1[nH]c(cs1)-c1cccc(c1)S(=O)(=O)NCC1CCCO1
Show InChI InChI=1S/C14H16N2O4S2/c17-14-16-13(9-21-14)10-3-1-5-12(7-10)22(18,19)15-8-11-4-2-6-20-11/h1,3,5,7,9,11,15H,2,4,6,8H2,(H,16,17)
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n/an/a 9.31E+3n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy


J Med Chem 58: 1281-97 (2015)


Article DOI: 10.1021/jm501504k
BindingDB Entry DOI: 10.7270/Q2P270TX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50071188
PNG
(CHEMBL3409988)
Show SMILES O=c1[nH]c(cs1)-c1cccc(c1)S(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C16H14N2O3S2/c19-16-18-15(11-22-16)13-7-4-8-14(9-13)23(20,21)17-10-12-5-2-1-3-6-12/h1-9,11,17H,10H2,(H,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy


J Med Chem 58: 1281-97 (2015)


Article DOI: 10.1021/jm501504k
BindingDB Entry DOI: 10.7270/Q2P270TX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50071148
PNG
(CHEMBL3409985)
Show SMILES COc1ccc(NS(=O)(=O)c2cccc(c2)-c2csc(=O)[nH]2)cc1
Show InChI InChI=1S/C16H14N2O4S2/c1-22-13-7-5-12(6-8-13)18-24(20,21)14-4-2-3-11(9-14)15-10-23-16(19)17-15/h2-10,18H,1H3,(H,17,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy


J Med Chem 58: 1281-97 (2015)


Article DOI: 10.1021/jm501504k
BindingDB Entry DOI: 10.7270/Q2P270TX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50071189
PNG
(CHEMBL3409989)
Show SMILES O=c1[nH]c(cs1)-c1cccc(c1)S(=O)(=O)NCCc1cccs1
Show InChI InChI=1S/C15H14N2O3S3/c18-15-17-14(10-22-15)11-3-1-5-13(9-11)23(19,20)16-7-6-12-4-2-8-21-12/h1-5,8-10,16H,6-7H2,(H,17,18)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy


J Med Chem 58: 1281-97 (2015)


Article DOI: 10.1021/jm501504k
BindingDB Entry DOI: 10.7270/Q2P270TX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50071108
PNG
(CHEMBL3409981)
Show SMILES Fc1ccccc1-c1csc(=O)[nH]1
Show InChI InChI=1S/C9H6FNOS/c10-7-4-2-1-3-6(7)8-5-13-9(12)11-8/h1-5H,(H,11,12)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy


J Med Chem 58: 1281-97 (2015)


Article DOI: 10.1021/jm501504k
BindingDB Entry DOI: 10.7270/Q2P270TX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)