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Compile Data Set for Download or QSAR

Found 64 hits with Last Name = 'hawk' and Initial = 'lml'   
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))
BDBM50239566
PNG
(CHEMBL4103140)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(CCc1ccc(OC)cc1)C3 |c:5|
Show InChI InChI=1S/C27H28N4O4/c1-4-31-24-23(25(32)29-27(31)34)21(18-9-5-16(2)6-10-18)22-20(28-24)15-30(26(22)33)14-13-17-7-11-19(35-3)12-8-17/h5-12,21,28H,4,13-15H2,1-3H3,(H,29,32,34)
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100n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRD4 bromodomain 1 (42 to 168 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence an...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50239567
PNG
(CHEMBL4085204)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(CCc1ccc(O)cc1)C3 |c:5|
Show InChI InChI=1S/C26H26N4O4/c1-3-30-23-22(24(32)28-26(30)34)20(17-8-4-15(2)5-9-17)21-19(27-23)14-29(25(21)33)13-12-16-6-10-18(31)11-7-16/h4-11,20,27,31H,3,12-14H2,1-2H3,(H,28,32,34)
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110n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRD4 bromodomain 1 (42 to 168 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence an...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50239568
PNG
(CHEMBL4092949)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(CCc1ccccc1)C3 |c:5|
Show InChI InChI=1S/C26H26N4O3/c1-3-30-23-22(24(31)28-26(30)33)20(18-11-9-16(2)10-12-18)21-19(27-23)15-29(25(21)32)14-13-17-7-5-4-6-8-17/h4-12,20,27H,3,13-15H2,1-2H3,(H,28,31,33)
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140n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRD4 bromodomain 1 (42 to 168 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence an...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50239586
PNG
(CHEMBL4072799)
Show SMILES Cc1ccc(cc1)C1C2=C(COC2=O)Nc2c1c(=O)[nH]c(=O)n2CC(F)(F)F |t:9|
Show InChI InChI=1S/C18H14F3N3O4/c1-8-2-4-9(5-3-8)11-12-10(6-28-16(12)26)22-14-13(11)15(25)23-17(27)24(14)7-18(19,20)21/h2-5,11,22H,6-7H2,1H3,(H,23,25,27)
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160n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRD4 bromodomain 1 (42 to 168 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence an...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50239565
PNG
(CHEMBL4065286)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(Cc1ccccc1)C3 |c:5|
Show InChI InChI=1S/C25H24N4O3/c1-3-29-22-21(23(30)27-25(29)32)19(17-11-9-15(2)10-12-17)20-18(26-22)14-28(24(20)31)13-16-7-5-4-6-8-16/h4-12,19,26H,3,13-14H2,1-2H3,(H,27,30,32)
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190n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRD4 bromodomain 1 (42 to 168 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence an...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239566
PNG
(CHEMBL4103140)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(CCc1ccc(OC)cc1)C3 |c:5|
Show InChI InChI=1S/C27H28N4O4/c1-4-31-24-23(25(32)29-27(31)34)21(18-9-5-16(2)6-10-18)22-20(28-24)15-30(26(22)33)14-13-17-7-11-19(35-3)12-8-17/h5-12,21,28H,4,13-15H2,1-3H3,(H,29,32,34)
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200n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239567
PNG
(CHEMBL4085204)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(CCc1ccc(O)cc1)C3 |c:5|
Show InChI InChI=1S/C26H26N4O4/c1-3-30-23-22(24(32)28-26(30)34)20(17-8-4-15(2)5-9-17)21-19(27-23)14-29(25(21)33)13-12-16-6-10-18(31)11-7-16/h4-11,20,27,31H,3,12-14H2,1-2H3,(H,28,32,34)
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200n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239568
PNG
(CHEMBL4092949)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(CCc1ccccc1)C3 |c:5|
Show InChI InChI=1S/C26H26N4O3/c1-3-30-23-22(24(31)28-26(30)33)20(18-11-9-16(2)10-12-18)21-19(27-23)15-29(25(21)32)14-13-17-7-5-4-6-8-17/h4-12,20,27H,3,13-15H2,1-2H3,(H,28,31,33)
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220n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239565
PNG
(CHEMBL4065286)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(Cc1ccccc1)C3 |c:5|
Show InChI InChI=1S/C25H24N4O3/c1-3-29-22-21(23(30)27-25(29)32)19(17-11-9-15(2)10-12-17)20-18(26-22)14-28(24(20)31)13-16-7-5-4-6-8-16/h4-12,19,26H,3,13-14H2,1-2H3,(H,27,30,32)
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230n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50239588
PNG
(CHEMBL4077905)
Show SMILES CCn1c2NC3=C(C(c4ccc(Cl)cc4)c2c(=O)[nH]c1=O)C(=O)OC3 |c:5|
Show InChI InChI=1S/C17H14ClN3O4/c1-2-21-14-13(15(22)20-17(21)24)11(8-3-5-9(18)6-4-8)12-10(19-14)7-25-16(12)23/h3-6,11,19H,2,7H2,1H3,(H,20,22,24)
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300n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRD4 bromodomain 1 (42 to 168 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence an...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50239585
PNG
(CHEMBL4094028)
Show SMILES CCn1c2NC3=C(C(c4ccccc4)c2c(=O)[nH]c1=O)C(=O)OC3 |c:5|
Show InChI InChI=1S/C17H15N3O4/c1-2-20-14-13(15(21)19-17(20)23)11(9-6-4-3-5-7-9)12-10(18-14)8-24-16(12)22/h3-7,11,18H,2,8H2,1H3,(H,19,21,23)
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350n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRD4 bromodomain 1 (42 to 168 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence an...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50239562
PNG
(CHEMBL4104179)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)OC3 |c:5|
Show InChI InChI=1S/C18H17N3O4/c1-3-21-15-14(16(22)20-18(21)24)12(10-6-4-9(2)5-7-10)13-11(19-15)8-25-17(13)23/h4-7,12,19H,3,8H2,1-2H3,(H,20,22,24)
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370n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRD4 bromodomain 1 (42 to 168 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence an...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239562
PNG
(CHEMBL4104179)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)OC3 |c:5|
Show InChI InChI=1S/C18H17N3O4/c1-3-21-15-14(16(22)20-18(21)24)12(10-6-4-9(2)5-7-10)13-11(19-15)8-25-17(13)23/h4-7,12,19H,3,8H2,1-2H3,(H,20,22,24)
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690n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239586
PNG
(CHEMBL4072799)
Show SMILES Cc1ccc(cc1)C1C2=C(COC2=O)Nc2c1c(=O)[nH]c(=O)n2CC(F)(F)F |t:9|
Show InChI InChI=1S/C18H14F3N3O4/c1-8-2-4-9(5-3-8)11-12-10(6-28-16(12)26)22-14-13(11)15(25)23-17(27)24(14)7-18(19,20)21/h2-5,11,22H,6-7H2,1H3,(H,23,25,27)
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850n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239588
PNG
(CHEMBL4077905)
Show SMILES CCn1c2NC3=C(C(c4ccc(Cl)cc4)c2c(=O)[nH]c1=O)C(=O)OC3 |c:5|
Show InChI InChI=1S/C17H14ClN3O4/c1-2-21-14-13(15(22)20-17(21)24)11(8-3-5-9(18)6-4-8)12-10(19-14)7-25-16(12)23/h3-6,11,19H,2,7H2,1H3,(H,20,22,24)
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1.10E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50239571
PNG
(CHEMBL4088746)
Show SMILES CCCn1c2NC3=C(C(c4ccccc4)c2c(=O)[nH]c1=O)C(=O)OC3 |c:6|
Show InChI InChI=1S/C18H17N3O4/c1-2-8-21-15-14(16(22)20-18(21)24)12(10-6-4-3-5-7-10)13-11(19-15)9-25-17(13)23/h3-7,12,19H,2,8-9H2,1H3,(H,20,22,24)
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1.20E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRD4 bromodomain 1 (42 to 168 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence an...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50239574
PNG
(CHEMBL4094424)
Show SMILES CCn1c2NC3=C(C(c4ccc(cc4)C(F)(F)F)c2c(=O)[nH]c1=O)C(=O)OC3 |c:5|
Show InChI InChI=1S/C18H14F3N3O4/c1-2-24-14-13(15(25)23-17(24)27)11(12-10(22-14)7-28-16(12)26)8-3-5-9(6-4-8)18(19,20)21/h3-6,11,22H,2,7H2,1H3,(H,23,25,27)
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1.20E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRD4 bromodomain 1 (42 to 168 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence an...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239585
PNG
(CHEMBL4094028)
Show SMILES CCn1c2NC3=C(C(c4ccccc4)c2c(=O)[nH]c1=O)C(=O)OC3 |c:5|
Show InChI InChI=1S/C17H15N3O4/c1-2-20-14-13(15(21)19-17(20)23)11(9-6-4-3-5-7-9)12-10(18-14)8-24-16(12)22/h3-7,11,18H,2,8H2,1H3,(H,19,21,23)
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1.40E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239571
PNG
(CHEMBL4088746)
Show SMILES CCCn1c2NC3=C(C(c4ccccc4)c2c(=O)[nH]c1=O)C(=O)OC3 |c:6|
Show InChI InChI=1S/C18H17N3O4/c1-2-8-21-15-14(16(22)20-18(21)24)12(10-6-4-3-5-7-10)13-11(19-15)9-25-17(13)23/h3-7,12,19H,2,8-9H2,1H3,(H,20,22,24)
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2.40E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50239577
PNG
(CHEMBL4064204)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(C)C3 |c:5|
Show InChI InChI=1S/C19H20N4O3/c1-4-23-16-15(17(24)21-19(23)26)13(11-7-5-10(2)6-8-11)14-12(20-16)9-22(3)18(14)25/h5-8,13,20H,4,9H2,1-3H3,(H,21,24,26)
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2.50E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRD4 bromodomain 1 (42 to 168 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence an...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239574
PNG
(CHEMBL4094424)
Show SMILES CCn1c2NC3=C(C(c4ccc(cc4)C(F)(F)F)c2c(=O)[nH]c1=O)C(=O)OC3 |c:5|
Show InChI InChI=1S/C18H14F3N3O4/c1-2-24-14-13(15(25)23-17(24)27)11(12-10(22-14)7-28-16(12)26)8-3-5-9(6-4-8)18(19,20)21/h3-6,11,22H,2,7H2,1H3,(H,23,25,27)
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4.70E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Affinity constant of compound was evaluated in human brain


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239577
PNG
(CHEMBL4064204)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(C)C3 |c:5|
Show InChI InChI=1S/C19H20N4O3/c1-4-23-16-15(17(24)21-19(23)26)13(11-7-5-10(2)6-8-11)14-12(20-16)9-22(3)18(14)25/h5-8,13,20H,4,9H2,1-3H3,(H,21,24,26)
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5.60E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50239576
PNG
(CHEMBL4093510)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)CC3 |c:5|
Show InChI InChI=1S/C19H19N3O3/c1-3-22-17-16(18(24)21-19(22)25)14(11-6-4-10(2)5-7-11)15-12(20-17)8-9-13(15)23/h4-7,14,20H,3,8-9H2,1-2H3,(H,21,24,25)
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1.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory effect on human lymphoblast (Molt/4F) thymidylate synthase


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50239564
PNG
(CHEMBL4089152)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(CC=C)C3 |c:5|
Show InChI InChI=1S/C21H22N4O3/c1-4-10-24-11-14-16(20(24)27)15(13-8-6-12(3)7-9-13)17-18(22-14)25(5-2)21(28)23-19(17)26/h4,6-9,15,22H,1,5,10-11H2,2-3H3,(H,23,26,28)
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1.40E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRD4 bromodomain 1 (42 to 168 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence an...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239576
PNG
(CHEMBL4093510)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)CC3 |c:5|
Show InChI InChI=1S/C19H19N3O3/c1-3-22-17-16(18(24)21-19(22)25)14(11-6-4-10(2)5-7-11)15-12(20-17)8-9-13(15)23/h4-7,14,20H,3,8-9H2,1-2H3,(H,21,24,25)
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2.30E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50239578
PNG
(CHEMBL4085767)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)n(C)c1=O)C(=O)OC3 |c:5|
Show InChI InChI=1S/C19H19N3O4/c1-4-22-16-15(17(23)21(3)19(22)25)13(11-7-5-10(2)6-8-11)14-12(20-16)9-26-18(14)24/h5-8,13,20H,4,9H2,1-3H3
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>4.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory effect on Lactobacillus casei thymidylate synthase


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50239587
PNG
(CHEMBL4067951)
Show SMILES CCn1c2nc3COC(=O)c3c(-c3ccc(C)cc3)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C18H15N3O4/c1-3-21-15-14(16(22)20-18(21)24)12(10-6-4-9(2)5-7-10)13-11(19-15)8-25-17(13)23/h4-7H,3,8H2,1-2H3,(H,20,22,24)
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>4.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory effect on murine leukemia (L1210) thymidylate synthase


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239578
PNG
(CHEMBL4085767)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)n(C)c1=O)C(=O)OC3 |c:5|
Show InChI InChI=1S/C19H19N3O4/c1-4-22-16-15(17(23)21(3)19(22)25)13(11-7-5-10(2)6-8-11)14-12(20-16)9-26-18(14)24/h5-8,13,20H,4,9H2,1-3H3
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>4.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239575
PNG
(CHEMBL4066935)
Show SMILES Cc1ccc(cc1)C1C2=C(COC2=O)Nc2c1c(=O)[nH]c(=O)n2C1CC1 |t:9|
Show InChI InChI=1S/C19H17N3O4/c1-9-2-4-10(5-3-9)13-14-12(8-26-18(14)24)20-16-15(13)17(23)21-19(25)22(16)11-6-7-11/h2-5,11,13,20H,6-8H2,1H3,(H,21,23,25)
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>4.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239573
PNG
(CHEMBL4102160)
Show SMILES COc1ccc(cc1)C1C2=C(COC2=O)Nc2c1c(=O)n(C)c(=O)n2C |t:10|
Show InChI InChI=1S/C18H17N3O5/c1-20-15-14(16(22)21(2)18(20)24)12(9-4-6-10(25-3)7-5-9)13-11(19-15)8-26-17(13)23/h4-7,12,19H,8H2,1-3H3
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>4.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239572
PNG
(CHEMBL4060512)
Show SMILES Cc1ccc(cc1)C1C2=C(COC2=O)Nc2c1c(=O)n(C)c(=O)n2C |t:9|
Show InChI InChI=1S/C18H17N3O4/c1-9-4-6-10(7-5-9)12-13-11(8-25-17(13)23)19-15-14(12)16(22)21(3)18(24)20(15)2/h4-7,12,19H,8H2,1-3H3
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>4.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239570
PNG
(CHEMBL4066490)
Show SMILES Cn1c2NC3=C(C(c4ccccc4)c2c(=O)[nH]c1=O)C(=O)OC3 |c:4|
Show InChI InChI=1S/C16H13N3O4/c1-19-13-12(14(20)18-16(19)22)10(8-5-3-2-4-6-8)11-9(17-13)7-23-15(11)21/h2-6,10,17H,7H2,1H3,(H,18,20,22)
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>4.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239569
PNG
(CHEMBL4086263)
Show SMILES COc1ccc(cc1)C1C2=C(COC2=O)Nc2c1c(=O)[nH]c(=O)n2C |t:10|
Show InChI InChI=1S/C17H15N3O5/c1-20-14-13(15(21)19-17(20)23)11(8-3-5-9(24-2)6-4-8)12-10(18-14)7-25-16(12)22/h3-6,11,18H,7H2,1-2H3,(H,19,21,23)
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>4.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239587
PNG
(CHEMBL4067951)
Show SMILES CCn1c2nc3COC(=O)c3c(-c3ccc(C)cc3)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C18H15N3O4/c1-3-21-15-14(16(22)20-18(21)24)12(10-6-4-9(2)5-7-10)13-11(19-15)8-25-17(13)23/h4-7H,3,8H2,1-2H3,(H,20,22,24)
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>4.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50239575
PNG
(CHEMBL4066935)
Show SMILES Cc1ccc(cc1)C1C2=C(COC2=O)Nc2c1c(=O)[nH]c(=O)n2C1CC1 |t:9|
Show InChI InChI=1S/C19H17N3O4/c1-9-2-4-10(5-3-9)13-14-12(8-26-18(14)24)20-16-15(13)17(23)21-19(25)22(16)11-6-7-11/h2-5,11,13,20H,6-8H2,1H3,(H,21,23,25)
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>4.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRD4 bromodomain 1 (42 to 168 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence an...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50239565
PNG
(CHEMBL4065286)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(Cc1ccccc1)C3 |c:5|
Show InChI InChI=1S/C25H24N4O3/c1-3-29-22-21(23(30)27-25(29)32)19(17-11-9-15(2)10-12-17)20-18(26-22)14-28(24(20)31)13-16-7-5-4-6-8-16/h4-12,19,26H,3,13-14H2,1-2H3,(H,27,30,32)
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n/an/a 240n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRD4 bromodomain 1 (42 to 168 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence an...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50239567
PNG
(CHEMBL4085204)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(CCc1ccc(O)cc1)C3 |c:5|
Show InChI InChI=1S/C26H26N4O4/c1-3-30-23-22(24(32)28-26(30)34)20(17-8-4-15(2)5-9-17)21-19(27-23)14-29(25(21)33)13-12-16-6-10-18(31)11-7-16/h4-11,20,27,31H,3,12-14H2,1-2H3,(H,28,32,34)
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n/an/a 390n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRD4 bromodomain 1 (42 to 168 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence an...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50239566
PNG
(CHEMBL4103140)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(CCc1ccc(OC)cc1)C3 |c:5|
Show InChI InChI=1S/C27H28N4O4/c1-4-31-24-23(25(32)29-27(31)34)21(18-9-5-16(2)6-10-18)22-20(28-24)15-30(26(22)33)14-13-17-7-11-19(35-3)12-8-17/h5-12,21,28H,4,13-15H2,1-3H3,(H,29,32,34)
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n/an/a 480n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRD4 bromodomain 1 (42 to 168 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence an...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239565
PNG
(CHEMBL4065286)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(Cc1ccccc1)C3 |c:5|
Show InChI InChI=1S/C25H24N4O3/c1-3-29-22-21(23(30)27-25(29)32)19(17-11-9-15(2)10-12-17)20-18(26-22)14-28(24(20)31)13-16-7-5-4-6-8-16/h4-12,19,26H,3,13-14H2,1-2H3,(H,27,30,32)
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n/an/a 550n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50239564
PNG
(CHEMBL4089152)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(CC=C)C3 |c:5|
Show InChI InChI=1S/C21H22N4O3/c1-4-10-24-11-14-16(20(24)27)15(13-8-6-12(3)7-9-13)17-18(22-14)25(5-2)21(28)23-19(17)26/h4,6-9,15,22H,1,5,10-11H2,2-3H3,(H,23,26,28)
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n/an/a 630n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRD4 bromodomain 1 (42 to 168 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence an...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239567
PNG
(CHEMBL4085204)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(CCc1ccc(O)cc1)C3 |c:5|
Show InChI InChI=1S/C26H26N4O4/c1-3-30-23-22(24(32)28-26(30)34)20(17-8-4-15(2)5-9-17)21-19(27-23)14-29(25(21)33)13-12-16-6-10-18(31)11-7-16/h4-11,20,27,31H,3,12-14H2,1-2H3,(H,28,32,34)
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n/an/a 760n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50239562
PNG
(CHEMBL4104179)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)OC3 |c:5|
Show InChI InChI=1S/C18H17N3O4/c1-3-21-15-14(16(22)20-18(21)24)12(10-6-4-9(2)5-7-10)13-11(19-15)8-25-17(13)23/h4-7,12,19H,3,8H2,1-2H3,(H,20,22,24)
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n/an/a 900n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of acetylated histone4 (1 to 21 residues) binding to His-tagged BRD4 bromodomain 1 (42 to 168 residues) (unknown origin) expressed in Esch...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239568
PNG
(CHEMBL4092949)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(CCc1ccccc1)C3 |c:5|
Show InChI InChI=1S/C26H26N4O3/c1-3-30-23-22(24(31)28-26(30)33)20(18-11-9-16(2)10-12-18)21-19(27-23)15-29(25(21)32)14-13-17-7-5-4-6-8-17/h4-12,20,27H,3,13-15H2,1-2H3,(H,28,31,33)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239566
PNG
(CHEMBL4103140)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(CCc1ccc(OC)cc1)C3 |c:5|
Show InChI InChI=1S/C27H28N4O4/c1-4-31-24-23(25(32)29-27(31)34)21(18-9-5-16(2)6-10-18)22-20(28-24)15-30(26(22)33)14-13-17-7-11-19(35-3)12-8-17/h5-12,21,28H,4,13-15H2,1-3H3,(H,29,32,34)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50239568
PNG
(CHEMBL4092949)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(CCc1ccccc1)C3 |c:5|
Show InChI InChI=1S/C26H26N4O3/c1-3-30-23-22(24(31)28-26(30)33)20(18-11-9-16(2)10-12-18)21-19(27-23)15-29(25(21)32)14-13-17-7-5-4-6-8-17/h4-12,20,27H,3,13-15H2,1-2H3,(H,28,31,33)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRD4 bromodomain 1 (42 to 168 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence an...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50239562
PNG
(CHEMBL4104179)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)OC3 |c:5|
Show InChI InChI=1S/C18H17N3O4/c1-3-21-15-14(16(22)20-18(21)24)12(10-6-4-9(2)5-7-10)13-11(19-15)8-25-17(13)23/h4-7,12,19H,3,8H2,1-2H3,(H,20,22,24)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of biotin-labeled (+)-JQ1 binding to His-tagged BRD4 bromodomain 1 (42 to 168 residues) (unknown origin) expressed in Escherichia coli BL2...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM25121
PNG
(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239564
PNG
(CHEMBL4089152)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(CC=C)C3 |c:5|
Show InChI InChI=1S/C21H22N4O3/c1-4-10-24-11-14-16(20(24)27)15(13-8-6-12(3)7-9-13)17-18(22-14)25(5-2)21(28)23-19(17)26/h4,6-9,15,22H,1,5,10-11H2,2-3H3,(H,23,26,28)
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239562
PNG
(CHEMBL4104179)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)OC3 |c:5|
Show InChI InChI=1S/C18H17N3O4/c1-3-21-15-14(16(22)20-18(21)24)12(10-6-4-9(2)5-7-10)13-11(19-15)8-25-17(13)23/h4-7,12,19H,3,8H2,1-2H3,(H,20,22,24)
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of biotin-labeled (+)-JQ1 binding to His-tagged BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL2...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))
BDBM50239562
PNG
(CHEMBL4104179)
Show SMILES CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)OC3 |c:5|
Show InChI InChI=1S/C18H17N3O4/c1-3-21-15-14(16(22)20-18(21)24)12(10-6-4-9(2)5-7-10)13-11(19-15)8-25-17(13)23/h4-7,12,19H,3,8H2,1-2H3,(H,20,22,24)
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n/an/a 5.20E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...


J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair
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