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Compile Data Set for Download or QSAR

Found 45 hits with Last Name = 'blacklow' and Initial = 'sc'   
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))
BDBM50030895
PNG
(CHEMBL3356570)
Show SMILES COc1cc(ccc1-c1nc2cnccn2c1NC(C)C)-c1c(C)noc1C
Show InChI InChI=1S/C21H23N5O2/c1-12(2)23-21-20(24-18-11-22-8-9-26(18)21)16-7-6-15(10-17(16)27-5)19-13(3)25-28-14(19)4/h6-12,23H,1-5H3
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n/an/a 474n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030910
PNG
(CHEMBL3356556)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2ccccn2c1NC(C)(C)C
Show InChI InChI=1S/C22H24N4O/c1-14-19(15(2)27-25-14)16-9-11-17(12-10-16)20-21(24-22(3,4)5)26-13-7-6-8-18(26)23-20/h6-13,24H,1-5H3
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n/an/a 479n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030896
PNG
(CHEMBL3356569)
Show SMILES COc1cc(ccc1-c1nc2cnccn2c1NC(C)(C)C)-c1c(C)noc1C
Show InChI InChI=1S/C22H25N5O2/c1-13-19(14(2)29-26-13)15-7-8-16(17(11-15)28-6)20-21(25-22(3,4)5)27-10-9-23-12-18(27)24-20/h7-12,25H,1-6H3
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n/an/a 562n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030894
PNG
(CHEMBL3356559)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2cnccn2c1NC(C)(C)C
Show InChI InChI=1S/C21H23N5O/c1-13-18(14(2)27-25-13)15-6-8-16(9-7-15)19-20(24-21(3,4)5)26-11-10-22-12-17(26)23-19/h6-12,24H,1-5H3
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n/an/a 637n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030901
PNG
(CHEMBL3356564)
Show SMILES CC(C)Nc1c(nc2cnccn12)-c1ccc(cc1)-c1c(C)noc1C
Show InChI InChI=1S/C20H21N5O/c1-12(2)22-20-19(23-17-11-21-9-10-25(17)20)16-7-5-15(6-8-16)18-13(3)24-26-14(18)4/h5-12,22H,1-4H3
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n/an/a 807n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030908
PNG
(CHEMBL3356558)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2ncccn2c1NC(C)(C)C
Show InChI InChI=1S/C21H23N5O/c1-13-17(14(2)27-25-13)15-7-9-16(10-8-15)18-19(24-21(3,4)5)26-12-6-11-22-20(26)23-18/h6-12,24H,1-5H3
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n/an/a 860n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030920
PNG
(CHEMBL3356547)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2ccccn2c1NC1CCCCC1
Show InChI InChI=1S/C24H26N4O/c1-16-22(17(2)29-27-16)18-11-13-19(14-12-18)23-24(25-20-8-4-3-5-9-20)28-15-7-6-10-21(28)26-23/h6-7,10-15,20,25H,3-5,8-9H2,1-2H3
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n/an/a 904n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030902
PNG
(CHEMBL3356563)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2ccc(cn2c1NC(C)(C)C)C(O)=O
Show InChI InChI=1S/C23H24N4O3/c1-13-19(14(2)30-26-13)15-6-8-16(9-7-15)20-21(25-23(3,4)5)27-12-17(22(28)29)10-11-18(27)24-20/h6-12,25H,1-5H3,(H,28,29)
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n/an/a 968n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030906
PNG
(CHEMBL3356560)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2ccc(Cl)cn2c1NC(C)(C)C
Show InChI InChI=1S/C22H23ClN4O/c1-13-19(14(2)28-26-13)15-6-8-16(9-7-15)20-21(25-22(3,4)5)27-12-17(23)10-11-18(27)24-20/h6-12,25H,1-5H3
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n/an/a 1.17E+3n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030903
PNG
(CHEMBL3356562)
Show SMILES COC(=O)c1ccc2nc(c(NC(C)(C)C)n2c1)-c1ccc(cc1)-c1c(C)noc1C
Show InChI InChI=1S/C24H26N4O3/c1-14-20(15(2)31-27-14)16-7-9-17(10-8-16)21-22(26-24(3,4)5)28-13-18(23(29)30-6)11-12-19(28)25-21/h7-13,26H,1-6H3
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n/an/a 1.62E+3n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030900
PNG
(CHEMBL3356565)
Show SMILES CCCCNc1c(nc2cnccn12)-c1ccc(cc1)-c1c(C)noc1C
Show InChI InChI=1S/C21H23N5O/c1-4-5-10-23-21-20(24-18-13-22-11-12-26(18)21)17-8-6-16(7-9-17)19-14(2)25-27-15(19)3/h6-9,11-13,23H,4-5,10H2,1-3H3
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n/an/a 1.66E+3n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030932
PNG
(CHEMBL3356132)
Show SMILES Cc1noc(C)c1-c1ccc(C=O)cc1
Show InChI InChI=1S/C12H11NO2/c1-8-12(9(2)15-13-8)11-5-3-10(7-14)4-6-11/h3-7H,1-2H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030931
PNG
(CHEMBL3356133)
Show SMILES CC(=O)c1ccc(cc1)-c1c(C)noc1C
Show InChI InChI=1S/C13H13NO2/c1-8-13(10(3)16-14-8)12-6-4-11(5-7-12)9(2)15/h4-7H,1-3H3
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n/an/a 1.81E+3n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030926
PNG
(CHEMBL3356541)
Show SMILES Cc1noc(C)c1-c1cccc(c1)C1Nc2ccccc2NC2=C1C(=O)OC2 |c:25|
Show InChI InChI=1S/C22H19N3O3/c1-12-19(13(2)28-25-12)14-6-5-7-15(10-14)21-20-18(11-27-22(20)26)23-16-8-3-4-9-17(16)24-21/h3-10,21,23-24H,11H2,1-2H3
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n/an/a 2.05E+3n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030919
PNG
(CHEMBL3356548)
Show SMILES COc1ccc(Nc2c(nc3ccccn23)-c2ccc(cc2)-c2c(C)noc2C)cc1
Show InChI InChI=1S/C25H22N4O2/c1-16-23(17(2)31-28-16)18-7-9-19(10-8-18)24-25(29-15-5-4-6-22(29)27-24)26-20-11-13-21(30-3)14-12-20/h4-15,26H,1-3H3
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n/an/a 2.76E+3n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030915
PNG
(CHEMBL3356552)
Show SMILES C[C@H](Nc1c(nc2cnccn12)-c1ccc(cc1)-c1c(C)noc1C)c1ccccc1 |r|
Show InChI InChI=1S/C25H23N5O/c1-16(19-7-5-4-6-8-19)27-25-24(28-22-15-26-13-14-30(22)25)21-11-9-20(10-12-21)23-17(2)29-31-18(23)3/h4-16,27H,1-3H3/t16-/m0/s1
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n/an/a 2.86E+3n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030917
PNG
(CHEMBL3356550)
Show SMILES COc1ccc(Nc2c(nc3cc(OC)ncn23)-c2ccc(cc2)-c2c(C)noc2C)cc1
Show InChI InChI=1S/C25H23N5O3/c1-15-23(16(2)33-29-15)17-5-7-18(8-6-17)24-25(27-19-9-11-20(31-3)12-10-19)30-14-26-22(32-4)13-21(30)28-24/h5-14,27H,1-4H3
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n/an/a 2.89E+3n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030905
PNG
(CHEMBL3352858)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2ccc(C)cn2c1NC(C)(C)C
Show InChI InChI=1S/C23H26N4O/c1-14-7-12-19-24-21(22(27(19)13-14)25-23(4,5)6)18-10-8-17(9-11-18)20-15(2)26-28-16(20)3/h7-13,25H,1-6H3
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n/an/a 3.17E+3n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030924
PNG
(CHEMBL3356543)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2ccccn2c1N
Show InChI InChI=1S/C18H16N4O/c1-11-16(12(2)23-21-11)13-6-8-14(9-7-13)17-18(19)22-10-4-3-5-15(22)20-17/h3-10H,19H2,1-2H3
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n/an/a 3.89E+3n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030913
PNG
(CHEMBL3356554)
Show SMILES CCOC(=O)CNc1c(nc2cnccn12)-c1ccc(cc1)-c1c(C)noc1C
Show InChI InChI=1S/C21H21N5O3/c1-4-28-18(27)12-23-21-20(24-17-11-22-9-10-26(17)21)16-7-5-15(6-8-16)19-13(2)25-29-14(19)3/h5-11,23H,4,12H2,1-3H3
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n/an/a 4.53E+3n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030911
PNG
(CHEMBL3356555)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2cnccn2c1NCC(=O)OC(C)(C)C
Show InChI InChI=1S/C23H25N5O3/c1-14-20(15(2)31-27-14)16-6-8-17(9-7-16)21-22(25-13-19(29)30-23(3,4)5)28-11-10-24-12-18(28)26-21/h6-12,25H,13H2,1-5H3
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n/an/a 4.96E+3n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030916
PNG
(CHEMBL3356551)
Show SMILES COc1ccc(Nc2c(nn3ccncc23)-c2ccc(cc2)-c2c(C)noc2C)cc1
Show InChI InChI=1S/C24H21N5O2/c1-15-22(16(2)31-28-15)17-4-6-18(7-5-17)23-24(21-14-25-12-13-29(21)27-23)26-19-8-10-20(30-3)11-9-19/h4-14,26H,1-3H3
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n/an/a 7.86E+3n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50451905
PNG
(CHEMBL4217423)
Show SMILES COc1ccc2c(c1)sc1nc(O)c(Cc3ccccc3)c(=O)n21
Show InChI InChI=1S/C18H14N2O3S/c1-23-12-7-8-14-15(10-12)24-18-19-16(21)13(17(22)20(14)18)9-11-5-3-2-4-6-11/h2-8,10,21H,9H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of SHP2 F285S mutant (1 to 525 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using DIFMUP as substrate preincubated f...


Bioorg Med Chem 25: 6479-6485 (2017)


Article DOI: 10.1016/j.bmc.2017.10.025
BindingDB Entry DOI: 10.7270/Q2G163D6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030933
PNG
(CHEMBL3356131)
Show SMILES Cc1noc(C)c1-c1cccc(C=O)c1
Show InChI InChI=1S/C12H11NO2/c1-8-12(9(2)15-13-8)11-5-3-4-10(6-11)7-14/h3-7H,1-2H3
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n/an/a 1.01E+4n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030929
PNG
(CHEMBL3356135)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2ccccn2c1NCc1ccccc1
Show InChI InChI=1S/C25H22N4O/c1-17-23(18(2)30-28-17)20-11-13-21(14-12-20)24-25(26-16-19-8-4-3-5-9-19)29-15-7-6-10-22(29)27-24/h3-15,26H,16H2,1-2H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030922
PNG
(CHEMBL3356545)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2ccc(Cl)cn2c1NCc1ccccc1
Show InChI InChI=1S/C25H21ClN4O/c1-16-23(17(2)31-29-16)19-8-10-20(11-9-19)24-25(27-14-18-6-4-3-5-7-18)30-15-21(26)12-13-22(30)28-24/h3-13,15,27H,14H2,1-2H3
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n/an/a 1.18E+4n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030904
PNG
(CHEMBL3356561)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2c(cccn2c1NC(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C23H23F3N4O/c1-13-18(14(2)31-29-13)15-8-10-16(11-9-15)19-21(28-22(3,4)5)30-12-6-7-17(20(30)27-19)23(24,25)26/h6-12,28H,1-5H3
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n/an/a 1.19E+4n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030898
PNG
(CHEMBL3356567)
Show SMILES Cc1noc(C)c1-c1ccc(nc1)-c1nc2cnccn2c1NC(C)(C)C
Show InChI InChI=1S/C20H22N6O/c1-12-17(13(2)27-25-12)14-6-7-15(22-10-14)18-19(24-20(3,4)5)26-9-8-21-11-16(26)23-18/h6-11,24H,1-5H3
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n/an/a 1.29E+4n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030927
PNG
(CHEMBL3356137)
Show SMILES CCCCN1C(c2ccc(-c3c(C)noc3C)c(OC)c2)C(=O)Nc2ccccc2C1=O |(45.11,-15.4,;44.56,-16.84,;45.51,-18.05,;44.95,-19.48,;45.91,-20.68,;45.24,-22.07,;43.7,-22.07,;42.93,-20.74,;41.39,-20.74,;40.62,-22.07,;39.08,-22.07,;38.18,-20.83,;38.65,-19.36,;36.72,-21.3,;36.72,-22.84,;38.18,-23.31,;38.65,-24.78,;41.39,-23.4,;40.62,-24.73,;41.39,-26.07,;42.93,-23.4,;45.91,-23.46,;44.95,-24.66,;47.41,-23.8,;48.61,-22.84,;49.95,-23.61,;51.29,-22.84,;51.29,-21.3,;49.95,-20.53,;48.61,-21.3,;47.41,-20.34,;47.75,-18.84,)|
Show InChI InChI=1S/C25H27N3O4/c1-5-6-13-28-23(24(29)26-20-10-8-7-9-18(20)25(28)30)17-11-12-19(21(14-17)31-4)22-15(2)27-32-16(22)3/h7-12,14,23H,5-6,13H2,1-4H3,(H,26,29)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030897
PNG
(CHEMBL3356568)
Show SMILES Cc1noc(C)c1-c1ccc(cc1F)-c1nc2cnccn2c1NC(C)(C)C |(7.65,-53.99,;7.17,-55.45,;5.7,-55.93,;5.7,-57.47,;7.17,-57.95,;7.65,-59.41,;8.08,-56.7,;9.62,-56.7,;10.39,-55.36,;11.93,-55.36,;12.7,-56.7,;11.93,-58.03,;10.39,-58.03,;9.62,-59.36,;14.24,-56.7,;15.14,-57.95,;16.61,-57.47,;17.94,-58.24,;19.27,-57.47,;19.27,-55.93,;17.94,-55.16,;16.61,-55.93,;15.14,-55.45,;14.66,-53.99,;15.7,-52.84,;15.29,-51.36,;16.73,-51.7,;17.18,-53.24,)|
Show InChI InChI=1S/C21H22FN5O/c1-12-18(13(2)28-26-12)15-7-6-14(10-16(15)22)19-20(25-21(3,4)5)27-9-8-23-11-17(27)24-19/h6-11,25H,1-5H3
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n/an/a 1.30E+4n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030930
PNG
(CHEMBL3356134)
Show SMILES CCOC(=O)C(C)N(Cc1ccc(cc1)-c1c(C)noc1C)C(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C25H28N2O5/c1-6-31-25(29)17(3)27(24(28)21-11-13-22(30-5)14-12-21)15-19-7-9-20(10-8-19)23-16(2)26-32-18(23)4/h7-14,17H,6,15H2,1-5H3
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n/an/a 1.63E+4n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030921
PNG
(CHEMBL3356546)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2cnccn2c1NCc1ccccc1
Show InChI InChI=1S/C24H21N5O/c1-16-22(17(2)30-28-16)19-8-10-20(11-9-19)23-24(26-14-18-6-4-3-5-7-18)29-13-12-25-15-21(29)27-23/h3-13,15,26H,14H2,1-2H3
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n/an/a 1.88E+4n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030909
PNG
(CHEMBL3356557)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2ccncn2c1NC(C)(C)C
Show InChI InChI=1S/C21H23N5O/c1-13-18(14(2)27-25-13)15-6-8-16(9-7-15)19-20(24-21(3,4)5)26-12-22-11-10-17(26)23-19/h6-12,24H,1-5H3
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n/an/a 2.07E+4n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030918
PNG
(CHEMBL3356549)
Show SMILES COc1ccc(Nc2c(nc3ccc(Cl)cn23)-c2ccc(cc2)-c2c(C)noc2C)cc1
Show InChI InChI=1S/C25H21ClN4O2/c1-15-23(16(2)32-29-15)17-4-6-18(7-5-17)24-25(27-20-9-11-21(31-3)12-10-20)30-14-19(26)8-13-22(30)28-24/h4-14,27H,1-3H3
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n/an/a 3.15E+4n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030899
PNG
(CHEMBL3356566)
Show SMILES Cc1noc(C)c1-c1ccc(cn1)-c1nc2cnccn2c1NC(C)(C)C
Show InChI InChI=1S/C20H22N6O/c1-12-17(13(2)27-25-12)15-7-6-14(10-22-15)18-19(24-20(3,4)5)26-9-8-21-11-16(26)23-18/h6-11,24H,1-5H3
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n/an/a 5.19E+4n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50353589
PNG
(CHEMBL1828979)
Show SMILES Cc1noc(C)c1-c1ccccc1
Show InChI InChI=1S/C11H11NO/c1-8-11(9(2)13-12-8)10-6-4-3-5-7-10/h3-7H,1-2H3
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n/an/a 6.50E+4n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030925
PNG
(CHEMBL3356542)
Show SMILES COc1ccc(cc1)-c1cc(nc(n1)-c1ccccc1)-c1ccc(cc1)-c1c(C)noc1C
Show InChI InChI=1S/C28H23N3O2/c1-18-27(19(2)33-31-18)22-11-9-20(10-12-22)25-17-26(21-13-15-24(32-3)16-14-21)30-28(29-25)23-7-5-4-6-8-23/h4-17H,1-3H3
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n/an/a 6.99E+4n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
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 8.15E+4n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030923
PNG
(CHEMBL3356544)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2ccc(C)cn2c1NCc1ccccc1
Show InChI InChI=1S/C26H24N4O/c1-17-9-14-23-28-25(26(30(23)16-17)27-15-20-7-5-4-6-8-20)22-12-10-21(11-13-22)24-18(2)29-31-19(24)3/h4-14,16,27H,15H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030914
PNG
(CHEMBL3356553)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2cnccn2c1NCC(O)=O
Show InChI InChI=1S/C19H17N5O3/c1-11-17(12(2)27-23-11)13-3-5-14(6-4-13)18-19(21-10-16(25)26)24-8-7-20-9-15(24)22-18/h3-9,21H,10H2,1-2H3,(H,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030934
PNG
(CHEMBL3356130)
Show SMILES Cc1noc(C)c1-c1ccccc1C=O |(21.45,-8.82,;21.15,-7.31,;22.19,-6.18,;21.45,-4.84,;19.93,-5.14,;18.81,-4.09,;19.75,-6.67,;18.4,-7.41,;18.38,-8.96,;17.03,-9.71,;15.71,-8.92,;15.74,-7.38,;17.08,-6.63,;17.1,-5.08,;15.82,-4.22,)|
Show InChI InChI=1S/C12H11NO2/c1-8-12(9(2)15-13-8)11-6-4-3-5-10(11)7-14/h3-7H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030928
PNG
(CHEMBL3356136)
Show SMILES CCN1C(C2C(C(=O)N(CC)C2=O)[C@]1(C)C(O)=O)c1ccc(cc1)-c1c(C)noc1C |r|
Show InChI InChI=1S/C23H27N3O5/c1-6-25-20(27)17-18(21(25)28)23(5,22(29)30)26(7-2)19(17)15-10-8-14(9-11-15)16-12(3)24-31-13(16)4/h8-11,17-19H,6-7H2,1-5H3,(H,29,30)/t17?,18?,19?,23-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1-like


(Homo sapiens (Human))
BDBM50030894
PNG
(CHEMBL3356559)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2cnccn2c1NC(C)(C)C
Show InChI InChI=1S/C21H23N5O/c1-13-18(14(2)27-25-13)15-6-8-16(9-7-15)19-20(24-21(3,4)5)26-11-10-22-12-17(26)23-19/h6-12,24H,1-5H3
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n/an/an/a 1.30E+3n/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Binding affinity to TAF1L (unknown origin) by bromodomain displacement assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM50030894
PNG
(CHEMBL3356559)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2cnccn2c1NC(C)(C)C
Show InChI InChI=1S/C21H23N5O/c1-13-18(14(2)27-25-13)15-6-8-16(9-7-15)19-20(24-21(3,4)5)26-11-10-22-12-17(26)23-19/h6-12,24H,1-5H3
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n/an/an/a 560n/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Binding affinity to TAF1 (unknown origin) by bromodomain displacement assay


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50030894
PNG
(CHEMBL3356559)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2cnccn2c1NC(C)(C)C
Show InChI InChI=1S/C21H23N5O/c1-13-18(14(2)27-25-13)15-6-8-16(9-7-15)19-20(24-21(3,4)5)26-11-10-22-12-17(26)23-19/h6-12,24H,1-5H3
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n/an/an/a 550n/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Binding affinity to BRD4 (unknown origin) by isothermal titration colorimetry


J Med Chem 57: 9019-27 (2014)


Article DOI: 10.1021/jm501120z
BindingDB Entry DOI: 10.7270/Q2FN17T7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)