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Compile Data Set for Download or QSAR

Found 7664 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4'   
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))
BDBM50265637
PNG
(CHEMBL4073279)
Show SMILES CCS(=O)(=O)Nc1ccc2Oc3ccc(Cl)cc3CCCCOc3cc(=O)n(C)cc3-c2c1
Show InChI InChI=1S/C24H25ClN2O5S/c1-3-33(29,30)26-18-8-10-22-19(13-18)20-15-27(2)24(28)14-23(20)31-11-5-4-6-16-12-17(25)7-9-21(16)32-22/h7-10,12-15,26H,3-6,11H2,1-2H3
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n/an/an/an/a 5.10n/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human NCI-H1299 cells after 24 hrs by Bright-Glo luciferase reporter gene assay


J Med Chem 60: 3828-3850 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50265666
PNG
(CHEMBL4068431)
Show SMILES CCS(=O)(=O)Nc1cnc2Oc3c(F)cc(F)cc3CCCCOc3cc(=O)n(C)cc3-c2c1
Show InChI InChI=1S/C23H23F2N3O5S/c1-3-34(30,31)27-16-10-17-18-13-28(2)21(29)11-20(18)32-7-5-4-6-14-8-15(24)9-19(25)22(14)33-23(17)26-12-16/h8-13,27H,3-7H2,1-2H3
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n/an/an/an/a 6.40n/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human NCI-H1299 cells after 24 hrs by Bright-Glo luciferase reporter gene assay


J Med Chem 60: 3828-3850 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50265655
PNG
(CHEMBL4099010)
Show SMILES CCS(=O)(=O)Nc1ccc2Oc3c(F)cc(F)cc3CCCCOc3cc(=O)n(C)cc3-c2c1
Show InChI InChI=1S/C24H24F2N2O5S/c1-3-34(30,31)27-17-7-8-21-18(12-17)19-14-28(2)23(29)13-22(19)32-9-5-4-6-15-10-16(25)11-20(26)24(15)33-21/h7-8,10-14,27H,3-6,9H2,1-2H3
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n/an/an/an/a 6.5n/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human NCI-H1299 cells after 24 hrs by Bright-Glo luciferase reporter gene assay


J Med Chem 60: 3828-3850 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50265636
PNG
(CHEMBL4090068)
Show SMILES CCS(=O)(=O)c1ccc2Oc3ccccc3CCCCOc3cc(=O)n(C)cc3-c2c1
Show InChI InChI=1S/C24H25NO5S/c1-3-31(27,28)18-11-12-22-19(14-18)20-16-25(2)24(26)15-23(20)29-13-7-6-9-17-8-4-5-10-21(17)30-22/h4-5,8,10-12,14-16H,3,6-7,9,13H2,1-2H3
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n/an/an/an/a 6.70n/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human NCI-H1299 cells after 24 hrs by Bright-Glo luciferase reporter gene assay


J Med Chem 60: 3828-3850 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM220432
PNG
(US9296741, 21)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccccc2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H21N3O4S/c1-3-30(27,28)24-15-9-10-20(29-16-7-5-4-6-8-16)18(13-15)19-14-25(2)22(26)21-17(19)11-12-23-21/h4-14,23-24H,3H2,1-2H3
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n/an/an/an/a 8.10n/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma


J Med Chem 60: 8369-8384 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50265657
PNG
(CHEMBL4075776)
Show SMILES CCS(=O)(=O)Nc1cnc2Oc3ccc(Cl)cc3CCCCOc3cc(=O)n(C)cc3-c2c1
Show InChI InChI=1S/C23H24ClN3O5S/c1-3-33(29,30)26-17-11-18-19-14-27(2)22(28)12-21(19)31-9-5-4-6-15-10-16(24)7-8-20(15)32-23(18)25-13-17/h7-8,10-14,26H,3-6,9H2,1-2H3
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n/an/an/an/a 9.30n/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human NCI-H1299 cells after 24 hrs by Bright-Glo luciferase reporter gene assay


J Med Chem 60: 3828-3850 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM220415
PNG
(US9296741, 4)
Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C21H19N3O4S/c1-24-13-18(16-10-11-22-20(16)21(24)25)17-12-14(23-29(2,26)27)8-9-19(17)28-15-6-4-3-5-7-15/h3-13,22-23H,1-2H3
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n/an/an/an/a 11n/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma


J Med Chem 60: 8369-8384 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50260099
PNG
(CHEMBL4075567)
Show SMILES CCS(=O)(=O)c1ccc2Oc3ccc(Cl)cc3CCCCOc3cc(=O)n(C)cc3-c2c1
Show InChI InChI=1S/C24H24ClNO5S/c1-3-32(28,29)18-8-10-22-19(13-18)20-15-26(2)24(27)14-23(20)30-11-5-4-6-16-12-17(25)7-9-21(16)31-22/h7-10,12-15H,3-6,11H2,1-2H3
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n/an/an/an/a 16n/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human NCI-H1299 cells after 24 hrs by Bright-Glo luciferase reporter gene assay


J Med Chem 60: 3828-3850 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50241749
PNG
(CHEMBL4098055)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H20ClN3O4S/c1-3-31(28,29)25-15-6-9-20(30-16-7-4-14(23)5-8-16)18(12-15)19-13-26(2)22(27)21-17(19)10-11-24-21/h4-13,24-25H,3H2,1-2H3
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n/an/an/an/a 17n/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human H1299 cells assessed as decrease in HPV LCR-E2-EP400-mediated transcriptional repression after 24 hrs by Bright-Glo lucif...


J Med Chem 60: 8369-8384 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM220468
PNG
(US9296741, 57)
Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2OC2CCCCC2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C21H25N3O4S/c1-24-13-18(16-10-11-22-20(16)21(24)25)17-12-14(23-29(2,26)27)8-9-19(17)28-15-6-4-3-5-7-15/h8-13,15,22-23H,3-7H2,1-2H3
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n/an/an/an/a 18n/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma


J Med Chem 60: 8369-8384 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50265659
PNG
(CHEMBL4089651)
Show SMILES Cn1cc-2c(OCCCCc3cc(Cl)ccc3Oc3ccc(CS(C)(=O)=O)cc-23)cc1=O
Show InChI InChI=1S/C24H24ClNO5S/c1-26-14-20-19-11-16(15-32(2,28)29)6-8-22(19)31-21-9-7-18(25)12-17(21)5-3-4-10-30-23(20)13-24(26)27/h6-9,11-14H,3-5,10,15H2,1-2H3
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n/an/an/an/a 18n/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human NCI-H1299 cells after 24 hrs by Bright-Glo luciferase reporter gene assay


J Med Chem 60: 3828-3850 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM220473
PNG
(US9296741, 62)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2c(F)cc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H18F3N3O4S/c1-3-33(30,31)27-13-4-5-19(32-21-17(24)8-12(23)9-18(21)25)15(10-13)16-11-28(2)22(29)20-14(16)6-7-26-20/h4-11,26-27H,3H2,1-2H3
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n/an/an/an/a 19n/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 60: 8369-8384 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM220447
PNG
(US9296741, 36)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3
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n/an/an/an/a 20n/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 60: 8369-8384 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM220470
PNG
(US9296741, 59)
Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2OC2CCC(F)(F)CC2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C21H23F2N3O4S/c1-26-12-17(15-7-10-24-19(15)20(26)27)16-11-13(25-31(2,28)29)3-4-18(16)30-14-5-8-21(22,23)9-6-14/h3-4,7,10-12,14,24-25H,5-6,8-9H2,1-2H3
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n/an/an/an/a 20n/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human H1299 cells assessed as decrease in HPV LCR-E2-EP400-mediated transcriptional repression after 24 hrs by Bright-Glo lucif...


J Med Chem 60: 8369-8384 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM220438
PNG
(US9296741, 27)
Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O
Show InChI InChI=1S/C21H17F2N3O4S/c1-26-11-16(14-7-8-24-20(14)21(26)27)15-10-13(25-31(2,28)29)4-6-18(15)30-19-5-3-12(22)9-17(19)23/h3-11,24-25H,1-2H3
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n/an/an/an/a 21n/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma


J Med Chem 60: 8369-8384 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM220416
PNG
(US9296741, 5)
Show SMILES Cn1cc(-c2cc(NS(=O)(=O)CC(F)(F)F)ccc2Oc2ccccc2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C22H18F3N3O4S/c1-28-12-18(16-9-10-26-20(16)21(28)29)17-11-14(27-33(30,31)13-22(23,24)25)7-8-19(17)32-15-5-3-2-4-6-15/h2-12,26-27H,13H2,1H3
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n/an/an/an/a 22n/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma


J Med Chem 60: 8369-8384 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50265658
PNG
(CHEMBL4077124)
Show SMILES Cn1cc-2c(OCCCCc3cc(Cl)ccc3Oc3ncc(CS(C)(=O)=O)cc-23)cc1=O
Show InChI InChI=1S/C23H23ClN2O5S/c1-26-13-19-18-9-15(14-32(2,28)29)12-25-23(18)31-20-7-6-17(24)10-16(20)5-3-4-8-30-21(19)11-22(26)27/h6-7,9-13H,3-5,8,14H2,1-2H3
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n/an/an/an/a 24n/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human NCI-H1299 cells after 24 hrs by Bright-Glo luciferase reporter gene assay


J Med Chem 60: 3828-3850 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50265635
PNG
(CHEMBL4068991)
Show SMILES CCS(=O)(=O)c1ccc2Oc3ccccc3CCCOc3cc(=O)n(C)cc3-c2c1
Show InChI InChI=1S/C23H23NO5S/c1-3-30(26,27)17-10-11-21-18(13-17)19-15-24(2)23(25)14-22(19)28-12-6-8-16-7-4-5-9-20(16)29-21/h4-5,7,9-11,13-15H,3,6,8,12H2,1-2H3
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n/an/an/an/a 26n/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human NCI-H1299 cells after 24 hrs by Bright-Glo luciferase reporter gene assay


J Med Chem 60: 3828-3850 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM220417
PNG
(US9296741, 6)
Show SMILES CC(=O)Nc1ccc(Oc2ccccc2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H19N3O3/c1-14(26)24-15-8-9-20(28-16-6-4-3-5-7-16)18(12-15)19-13-25(2)22(27)21-17(19)10-11-23-21/h3-13,23H,1-2H3,(H,24,26)
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n/an/an/an/a 26n/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma


J Med Chem 60: 8369-8384 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50265623
PNG
(CHEMBL4091597)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NS(=O)(=O)CC)ccc1Oc1ccc(Cl)cc1
Show InChI InChI=1S/C22H23ClN2O5S/c1-4-29-21-13-22(26)25(3)14-19(21)18-12-16(24-31(27,28)5-2)8-11-20(18)30-17-9-6-15(23)7-10-17/h6-14,24H,4-5H2,1-3H3
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n/an/an/an/a 27n/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human NCI-H1299 cells after 24 hrs by Bright-Glo luciferase reporter gene assay


J Med Chem 60: 3828-3850 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50265656
PNG
(CHEMBL4075757)
Show SMILES CCS(=O)(=O)c1cnc2Oc3ccc(Cl)cc3CCCCOc3cc(=O)n(C)cc3-c2c1
Show InChI InChI=1S/C23H23ClN2O5S/c1-3-32(28,29)17-11-18-19-14-26(2)22(27)12-21(19)30-9-5-4-6-15-10-16(24)7-8-20(15)31-23(18)25-13-17/h7-8,10-14H,3-6,9H2,1-2H3
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n/an/an/an/a 34n/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human NCI-H1299 cells after 24 hrs by Bright-Glo luciferase reporter gene assay


J Med Chem 60: 3828-3850 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50156344
PNG
(CHEMBL3787210)
Show SMILES Cc1noc(C)c1-c1ccc2NC(=O)C(N3CCC[C@H](N)C3)(c3ccsc3)c2c1
Show InChI InChI=1/C22H24N4O2S/c1-13-20(14(2)28-25-13)15-5-6-19-18(10-15)22(21(27)24-19,16-7-9-29-12-16)26-8-3-4-17(23)11-26/h5-7,9-10,12,17H,3-4,8,11,23H2,1-2H3,(H,24,27)/t17-,22?/s2
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n/an/an/an/a 34n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of BRD4 bromodomain1 in human MV4-11 cells


J Med Chem 59: 1271-98 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01514
BindingDB Entry DOI: 10.7270/Q2X92D6H
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50265653
PNG
(CHEMBL4094644)
Show SMILES CCS(=O)(=O)Nc1ccc2Oc3ccc(Cl)cc3CCCCCOc3cc(=O)n(C)cc3-c2c1
Show InChI InChI=1S/C25H27ClN2O5S/c1-3-34(30,31)27-19-9-11-23-20(14-19)21-16-28(2)25(29)15-24(21)32-12-6-4-5-7-17-13-18(26)8-10-22(17)33-23/h8-11,13-16,27H,3-7,12H2,1-2H3
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AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human NCI-H1299 cells after 24 hrs by Bright-Glo luciferase reporter gene assay


J Med Chem 60: 3828-3850 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM220445
PNG
(US9296741, 34)
Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccc(F)cc2Cl)c2cc[nH]c2c1=O
Show InChI InChI=1S/C21H17ClFN3O4S/c1-26-11-16(14-7-8-24-20(14)21(26)27)15-10-13(25-31(2,28)29)4-6-18(15)30-19-5-3-12(23)9-17(19)22/h3-11,24-25H,1-2H3
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n/an/an/an/a 35n/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human H1299 cells assessed as decrease in HPV LCR-E2-EP400-mediated transcriptional repression after 24 hrs by Bright-Glo lucif...


J Med Chem 60: 8369-8384 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM220506
PNG
(US9296741, 95)
Show SMILES Cn1cc(-c2cc(ccc2Oc2ccccc2)S(N)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C20H17N3O4S/c1-23-12-17(15-9-10-22-19(15)20(23)24)16-11-14(28(21,25)26)7-8-18(16)27-13-5-3-2-4-6-13/h2-12,22H,1H3,(H2,21,25,26)
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n/an/an/an/a 39n/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma


J Med Chem 60: 8369-8384 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50265662
PNG
(CHEMBL4078875)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NS(=O)(=O)CC)ccc1Oc1ccccc1
Show InChI InChI=1S/C22H24N2O5S/c1-4-28-21-14-22(25)24(3)15-19(21)18-13-16(23-30(26,27)5-2)11-12-20(18)29-17-9-7-6-8-10-17/h6-15,23H,4-5H2,1-3H3
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AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human NCI-H1299 cells after 24 hrs by Bright-Glo luciferase reporter gene assay


J Med Chem 60: 3828-3850 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50265625
PNG
(CHEMBL4082889)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NS(=O)(=O)CC)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C22H22F2N2O5S/c1-4-30-21-12-22(27)26(3)13-17(21)16-11-15(25-32(28,29)5-2)7-9-19(16)31-20-8-6-14(23)10-18(20)24/h6-13,25H,4-5H2,1-3H3
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AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human NCI-H1299 cells after 24 hrs by Bright-Glo luciferase reporter gene assay


J Med Chem 60: 3828-3850 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50256354
PNG
(CHEMBL4097720)
Show SMILES Cn1cc(-c2cc(CS(C)(=O)=O)ccc2Oc2ccc(F)cc2F)c2cc[nH]c(=O)c12
Show InChI InChI=1S/C22H18F2N2O4S/c1-26-11-17(15-7-8-25-22(27)21(15)26)16-9-13(12-31(2,28)29)3-5-19(16)30-20-6-4-14(23)10-18(20)24/h3-11H,12H2,1-2H3,(H,25,27)
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n/an/an/an/a 40n/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) expressed in human H1299 cells co-expressing HPV16-LCR/E2 after 24 hrs by Bright Glo-luciferase reporter gene ass...


Bioorg Med Chem Lett 27: 2225-2233 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM220433
PNG
(US9296741, 22)
Show SMILES CN(C)S(=O)(=O)Nc1ccc(Oc2ccccc2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H22N4O4S/c1-25(2)31(28,29)24-15-9-10-20(30-16-7-5-4-6-8-16)18(13-15)19-14-26(3)22(27)21-17(19)11-12-23-21/h4-14,23-24H,1-3H3
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n/an/an/an/a 43n/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human H1299 cells assessed as decrease in HPV LCR-E2-EP400-mediated transcriptional repression after 24 hrs by Bright-Glo lucif...


J Med Chem 60: 8369-8384 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50265671
PNG
(CHEMBL4059680)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NS(=O)(=O)CC)cnc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C21H21F2N3O5S/c1-4-30-19-10-20(27)26(3)12-16(19)15-9-14(25-32(28,29)5-2)11-24-21(15)31-18-7-6-13(22)8-17(18)23/h6-12,25H,4-5H2,1-3H3
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AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human NCI-H1299 cells after 24 hrs by Bright-Glo luciferase reporter gene assay


J Med Chem 60: 3828-3850 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50256406
PNG
(CHEMBL4079684)
Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccc(F)cc2F)c2cc[nH]c(=O)c12
Show InChI InChI=1S/C21H17F2N3O4S/c1-26-11-16(14-7-8-24-21(27)20(14)26)15-10-13(25-31(2,28)29)4-6-18(15)30-19-5-3-12(22)9-17(19)23/h3-11,25H,1-2H3,(H,24,27)
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AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) expressed in human H1299 cells co-expressing HPV16-LCR/E2 after 24 hrs by Bright Glo-luciferase reporter gene ass...


Bioorg Med Chem Lett 27: 2225-2233 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50256398
PNG
(CHEMBL4064089)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2)c(c1)-c1cn(C)c2c1cc[nH]c2=O
Show InChI InChI=1S/C22H20FN3O4S/c1-3-31(28,29)25-15-6-9-20(30-16-7-4-14(23)5-8-16)18(12-15)19-13-26(2)21-17(19)10-11-24-22(21)27/h4-13,25H,3H2,1-2H3,(H,24,27)
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AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) expressed in human H1299 cells co-expressing HPV16-LCR/E2 after 24 hrs by Bright Glo-luciferase reporter gene ass...


Bioorg Med Chem Lett 27: 2225-2233 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50265665
PNG
(CHEMBL4083186)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)cc1OC1COC1
Show InChI InChI=1S/C23H22F2N2O6S/c1-3-34(29,30)26-15-5-7-20(33-21-6-4-14(24)8-19(21)25)17(9-15)18-11-27(2)23(28)10-22(18)32-16-12-31-13-16/h4-11,16,26H,3,12-13H2,1-2H3
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AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human NCI-H1299 cells after 24 hrs by Bright-Glo luciferase reporter gene assay


J Med Chem 60: 3828-3850 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM220501
PNG
(US9296741, 90)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(cc2)C#N)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C23H20N4O4S/c1-3-32(29,30)26-16-6-9-21(31-17-7-4-15(13-24)5-8-17)19(12-16)20-14-27(2)23(28)22-18(20)10-11-25-22/h4-12,14,25-26H,3H2,1-2H3
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n/an/an/an/a 48n/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 60: 8369-8384 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM220496
PNG
(US9296741, 85)
Show SMILES Cn1cc(-c2cc(ccc2Oc2ccccc2)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C21H18N2O4S/c1-23-13-18(16-10-11-22-20(16)21(23)24)17-12-15(28(2,25)26)8-9-19(17)27-14-6-4-3-5-7-14/h3-13,22H,1-2H3
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n/an/an/an/a 50n/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human H1299 cells assessed as decrease in HPV LCR-E2-EP400-mediated transcriptional repression after 24 hrs by Bright-Glo lucif...


J Med Chem 60: 8369-8384 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342597
PNG
(N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindo...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C22H22N2O4S/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3
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n/an/an/an/a 51n/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) expressed in human H1299 cells co-expressing HPV16-LCR/E2 after 24 hrs by Bright Glo-luciferase reporter gene ass...


Bioorg Med Chem Lett 27: 2225-2233 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50265624
PNG
(CHEMBL4101823)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NS(=O)(=O)CC)ccc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C23H23N3O5S/c1-4-30-22-13-23(27)26(3)15-20(22)19-12-17(25-32(28,29)5-2)8-11-21(19)31-18-9-6-16(14-24)7-10-18/h6-13,15,25H,4-5H2,1-3H3
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AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human NCI-H1299 cells after 24 hrs by Bright-Glo luciferase reporter gene assay


J Med Chem 60: 3828-3850 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50256402
PNG
(CHEMBL4096183)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c2c1cc[nH]c2=O
Show InChI InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)21-15(17)8-9-25-22(21)28/h4-12,26H,3H2,1-2H3,(H,25,28)
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n/an/an/an/a 56n/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) expressed in human H1299 cells co-expressing HPV16-LCR/E2 after 24 hrs by Bright Glo-luciferase reporter gene ass...


Bioorg Med Chem Lett 27: 2225-2233 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50265627
PNG
(CHEMBL4099335)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)cc1OC
Show InChI InChI=1S/C21H20F2N2O5S/c1-4-31(27,28)24-14-6-8-18(30-19-7-5-13(22)9-17(19)23)15(10-14)16-12-25(2)21(26)11-20(16)29-3/h5-12,24H,4H2,1-3H3
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AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human NCI-H1299 cells after 24 hrs by Bright-Glo luciferase reporter gene assay


J Med Chem 60: 3828-3850 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50241743
PNG
(CHEMBL4059602)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(cc2)C(F)(F)F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C23H20F3N3O4S/c1-3-34(31,32)28-15-6-9-20(33-16-7-4-14(5-8-16)23(24,25)26)18(12-15)19-13-29(2)22(30)21-17(19)10-11-27-21/h4-13,27-28H,3H2,1-2H3
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n/an/an/an/a 65n/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 60: 8369-8384 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50265633
PNG
(CHEMBL4071697)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(ccc1Oc1ccc(F)cc1F)S(=O)(=O)CC
Show InChI InChI=1S/C22H21F2NO5S/c1-4-29-21-12-22(26)25(3)13-17(21)16-11-15(31(27,28)5-2)7-9-19(16)30-20-8-6-14(23)10-18(20)24/h6-13H,4-5H2,1-3H3
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AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human NCI-H1299 cells after 24 hrs by Bright-Glo luciferase reporter gene assay


J Med Chem 60: 3828-3850 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM220422
PNG
(US9296741, 11)
Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2cccnc2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C20H18N4O4S/c1-24-12-17(15-7-9-22-19(15)20(24)25)16-10-13(23-29(2,26)27)5-6-18(16)28-14-4-3-8-21-11-14/h3-12,22-23H,1-2H3
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n/an/an/an/a 67n/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human H1299 cells assessed as decrease in HPV LCR-E2-EP400-mediated transcriptional repression after 24 hrs by Bright-Glo lucif...


J Med Chem 60: 8369-8384 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50265661
PNG
(CHEMBL4103153)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccccc2)c(c1)-c1cn(C)c(=O)cc1OC
Show InChI InChI=1S/C21H22N2O5S/c1-4-29(25,26)22-15-10-11-19(28-16-8-6-5-7-9-16)17(12-15)18-14-23(2)21(24)13-20(18)27-3/h5-14,22H,4H2,1-3H3
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n/an/an/an/a 67n/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human NCI-H1299 cells after 24 hrs by Bright-Glo luciferase reporter gene assay


J Med Chem 60: 3828-3850 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50265622
PNG
(CHEMBL4063808)
Show SMILES CCOc1cc(=O)n(C)cc1-c1cc(NS(=O)(=O)CC)ccc1Oc1ccc(F)cc1
Show InChI InChI=1S/C22H23FN2O5S/c1-4-29-21-13-22(26)25(3)14-19(21)18-12-16(24-31(27,28)5-2)8-11-20(18)30-17-9-6-15(23)7-10-17/h6-14,24H,4-5H2,1-3H3
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n/an/an/an/a 69n/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human NCI-H1299 cells after 24 hrs by Bright-Glo luciferase reporter gene assay


J Med Chem 60: 3828-3850 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM220424
PNG
(US9296741, 13)
Show SMILES CCNC(=O)c1ccc(Oc2ccccc2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C23H21N3O3/c1-3-24-22(27)15-9-10-20(29-16-7-5-4-6-8-16)18(13-15)19-14-26(2)23(28)21-17(19)11-12-25-21/h4-14,25H,3H2,1-2H3,(H,24,27)
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n/an/an/an/a 70n/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain, using [3H](+)-pentazocine as radioligand.


J Med Chem 60: 8369-8384 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM220430
PNG
(US9296741, 19)
Show SMILES Cn1cc(-c2cc(ccc2Oc2ccccc2)C(N)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C21H17N3O3/c1-24-12-17(15-9-10-23-19(15)21(24)26)16-11-13(20(22)25)7-8-18(16)27-14-5-3-2-4-6-14/h2-12,23H,1H3,(H2,22,25)
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n/an/an/an/a 71n/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma


J Med Chem 60: 8369-8384 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM342603
PNG
(N-[4-(2,4-difluorophenoxy)-3-(3-methyl-4-oxo-4,5,6...)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccc(F)cc1F
Show InChI InChI=1S/C22H20F2N2O4S/c1-12-21-15(4-3-5-18(21)27)22(25-12)16-11-14(26-31(2,28)29)7-9-19(16)30-20-8-6-13(23)10-17(20)24/h6-11,25-26H,3-5H2,1-2H3
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n/an/an/an/a 75n/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) expressed in human H1299 cells co-expressing HPV16-LCR/E2 after 24 hrs by Bright Glo-luciferase reporter gene ass...


Bioorg Med Chem Lett 27: 2225-2233 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50256359
PNG
(CHEMBL4064625)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccccc2)c(c1)-c1[nH]c(C)c2c1cn[nH]c2=O
Show InChI InChI=1S/C21H20N4O4S/c1-3-30(27,28)25-14-9-10-18(29-15-7-5-4-6-8-15)16(11-14)20-17-12-22-24-21(26)19(17)13(2)23-20/h4-12,23,25H,3H2,1-2H3,(H,24,26)
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n/an/an/an/a 75n/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) expressed in human H1299 cells co-expressing HPV16-LCR/E2 after 24 hrs by Bright Glo-luciferase reporter gene ass...


Bioorg Med Chem Lett 27: 2225-2233 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50241744
PNG
(CHEMBL4060619)
Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2C(F)(F)F)c2cc[nH]c2c1=O
Show InChI InChI=1S/C22H18F3N3O4S/c1-28-12-16(14-9-10-26-20(14)21(28)29)15-11-13(27-33(2,30)31)7-8-18(15)32-19-6-4-3-5-17(19)22(23,24)25/h3-12,26-27H,1-2H3
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n/an/an/an/a 76n/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma


J Med Chem 60: 8369-8384 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50265660
PNG
(CHEMBL4091093)
Show SMILES COc1cc(=O)n(C)cc1-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C20H20N2O5S/c1-22-13-17(19(26-2)12-20(22)23)16-11-14(21-28(3,24)25)9-10-18(16)27-15-7-5-4-6-8-15/h4-13,21H,1-3H3
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n/an/an/an/a 77n/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human NCI-H1299 cells after 24 hrs by Bright-Glo luciferase reporter gene assay


J Med Chem 60: 3828-3850 (2017)

More data for this
Ligand-Target Pair
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