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Compile Data Set for Download or QSAR

Found 1139 hits with Last Name = 'preston' and Initial = 'a'   
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
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50413296
PNG
(CHEMBL473764)
Show SMILES COc1cc(Nc2c(cnc3c(C)cc(cc23)S(C)(=O)=O)C(N)=O)ccc1F
Show InChI InChI=1S/C19H18FN3O4S/c1-10-6-12(28(3,25)26)8-13-17(10)22-9-14(19(21)24)18(13)23-11-4-5-15(20)16(7-11)27-2/h4-9H,1-3H3,(H2,21,24)(H,22,23)
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n/an/a 0.316n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay

Bioorg Med Chem Lett 19: 1380-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.045
BindingDB Entry DOI: 10.7270/Q2FJ2J0J
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50413297
PNG
(CHEMBL473560)
Show SMILES Cc1cc(cc2c(Nc3cccc(c3)C#N)c(cnc12)C(N)=O)S(C)(=O)=O
Show InChI InChI=1S/C19H16N4O3S/c1-11-6-14(27(2,25)26)8-15-17(11)22-10-16(19(21)24)18(15)23-13-5-3-4-12(7-13)9-20/h3-8,10H,1-2H3,(H2,21,24)(H,22,23)
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n/an/a 0.398n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay

Bioorg Med Chem Lett 19: 1380-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.045
BindingDB Entry DOI: 10.7270/Q2FJ2J0J
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM14774
PNG
(3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl...)
Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24)
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n/an/a 0.398n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay

Bioorg Med Chem Lett 19: 1380-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.045
BindingDB Entry DOI: 10.7270/Q2FJ2J0J
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50576438
PNG
(CHEMBL4869149)
Show SMILES [H][C@@]12C[C@@H](O)C[C@]1([H])[C@H]2NC(=O)c1cc2c(OC[C@@]2(C)c2ccccc2)c(c1)C(=O)NC |r|
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TBA

Assay Description
Inhibition of recombinant human BRD4 BD2 (333 to 460 residues) expressed in bacterial expression system by bromoscan assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))		BDBM50576438
PNG
(CHEMBL4869149)
Show SMILES [H][C@@]12C[C@@H](O)C[C@]1([H])[C@H]2NC(=O)c1cc2c(OC[C@@]2(C)c2ccccc2)c(c1)C(=O)NC |r|
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TBA

Assay Description
Inhibition of recombinant human BRD3 BD2 (306 to 416 residues) expressed in bacterial expression system by bromoscan assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50413291
PNG
(CHEMBL515240)
Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)S(=O)(=O)c2ccccc2)C(N)=O)c1
Show InChI InChI=1S/C23H19N3O4S/c1-30-16-7-5-6-15(12-16)26-22-19-13-18(31(28,29)17-8-3-2-4-9-17)10-11-21(19)25-14-20(22)23(24)27/h2-14H,1H3,(H2,24,27)(H,25,26)
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n/an/a 1.58n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay

Bioorg Med Chem Lett 19: 1380-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.045
BindingDB Entry DOI: 10.7270/Q2FJ2J0J
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))		BDBM50576438
PNG
(CHEMBL4869149)
Show SMILES [H][C@@]12C[C@@H](O)C[C@]1([H])[C@H]2NC(=O)c1cc2c(OC[C@@]2(C)c2ccccc2)c(c1)C(=O)NC |r|
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TBA

Assay Description
Inhibition of recombinant human BRDT BD2 (250 to 382 residues) expressed in bacterial expression system by bromoscan assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))		BDBM50576438
PNG
(CHEMBL4869149)
Show SMILES [H][C@@]12C[C@@H](O)C[C@]1([H])[C@H]2NC(=O)c1cc2c(OC[C@@]2(C)c2ccccc2)c(c1)C(=O)NC |r|
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TBA

Assay Description
Inhibition of recombinant human BRD2 BD2 (348 to 455 residues) expressed in bacterial expression system by bromoscan assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM50535083
PNG
(CHEMBL4460676)
Show SMILES CN(C)c1ccc(cn1)-c1cc2nccnc2c(NC[C@@H]2CNCCC2(F)F)n1 |r|
Show InChI InChI=1S/C20H23F2N7/c1-29(2)17-4-3-13(10-26-17)15-9-16-18(25-8-7-24-16)19(28-15)27-12-14-11-23-6-5-20(14,21)22/h3-4,7-10,14,23H,5-6,11-12H2,1-2H3,(H,27,28)/t14-/m0/s1
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant SYK expressed in baculovirus using Biotin-AAAEEIYGEI as substrate after 60 mins by...

Bioorg Med Chem Lett 26: 4606-4612 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.070
BindingDB Entry DOI: 10.7270/Q2GM8BT3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50413286
PNG
(CHEMBL517766)
Show SMILES CS(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccc4OCCc34)c2c1
Show InChI InChI=1S/C19H17N3O4S/c1-27(24,25)11-5-6-15-13(9-11)18(14(10-21-15)19(20)23)22-16-3-2-4-17-12(16)7-8-26-17/h2-6,9-10H,7-8H2,1H3,(H2,20,23)(H,21,22)
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n/an/a 2.51n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay

Bioorg Med Chem Lett 19: 1380-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.045
BindingDB Entry DOI: 10.7270/Q2FJ2J0J
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50413298
PNG
(CHEMBL462150)
Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)S(C)(=O)=O)C(N)=O)c1
Show InChI InChI=1S/C18H17N3O4S/c1-25-12-5-3-4-11(8-12)21-17-14-9-13(26(2,23)24)6-7-16(14)20-10-15(17)18(19)22/h3-10H,1-2H3,(H2,19,22)(H,20,21)
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n/an/a 3.98n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay

Bioorg Med Chem Lett 19: 1380-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.045
BindingDB Entry DOI: 10.7270/Q2FJ2J0J
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM50419265
PNG
(CHEMBL1835069)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CC(F)(F)CC[C@@H]3N)ncc2C(N)=O)c1 |r|
Show InChI InChI=1S/C18H22F2N6O/c1-10-3-2-4-11(7-10)24-16-12(15(22)27)9-23-17(26-16)25-14-8-18(19,20)6-5-13(14)21/h2-4,7,9,13-14H,5-6,8,21H2,1H3,(H2,22,27)(H2,23,24,25,26)/t13-,14+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation of Biotin-AAAEEIYGEI substrate after 60 mins by by TR-FRET assay

Bioorg Med Chem Lett 21: 6188-94 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.082
BindingDB Entry DOI: 10.7270/Q2XD12ZW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM50535112
PNG
(CHEMBL4439328)
Show SMILES Cn1cc(cn1)-c1cc2nccnc2c(NC[C@@H]2CNCCC2(F)F)n1 |r|
Show InChI InChI=1S/C17H19F2N7/c1-26-10-11(7-24-26)13-6-14-15(22-5-4-21-14)16(25-13)23-9-12-8-20-3-2-17(12,18)19/h4-7,10,12,20H,2-3,8-9H2,1H3,(H,23,25)/t12-/m0/s1
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant SYK expressed in baculovirus using Biotin-AAAEEIYGEI as substrate after 60 mins by...

Bioorg Med Chem Lett 26: 4606-4612 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.070
BindingDB Entry DOI: 10.7270/Q2GM8BT3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM50535084
PNG
(CHEMBL3546703)
Show SMILES CN(C)c1ccc(cn1)-c1cc2nccnc2c(OC[C@H]2CCCNC2)n1
Show InChI InChI=1S/C20H24N6O/c1-26(2)18-6-5-15(12-24-18)16-10-17-19(23-9-8-22-17)20(25-16)27-13-14-4-3-7-21-11-14/h5-6,8-10,12,14,21H,3-4,7,11,13H2,1-2H3/t14-/m0/s1
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant SYK expressed in baculovirus using Biotin-AAAEEIYGEI as substrate after 60 mins by...

Bioorg Med Chem Lett 26: 4606-4612 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.070
BindingDB Entry DOI: 10.7270/Q2GM8BT3
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50576449
PNG
(CHEMBL4853098)
Show SMILES CNC(=O)c1cc(cc2[C@@H](COc12)c1ccccc1)C(=O)Nc1cnn(C)c1 |r|
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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM50535097
PNG
(CHEMBL4561098)
Show SMILES Cn1cc(cn1)-c1cc2nccnc2c(OCC2CNCCC2(F)F)n1
Show InChI InChI=1S/C17H18F2N6O/c1-25-9-11(7-23-25)13-6-14-15(22-5-4-21-14)16(24-13)26-10-12-8-20-3-2-17(12,18)19/h4-7,9,12,20H,2-3,8,10H2,1H3
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant SYK expressed in baculovirus using Biotin-AAAEEIYGEI as substrate after 60 mins by...

Bioorg Med Chem Lett 26: 4606-4612 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.070
BindingDB Entry DOI: 10.7270/Q2GM8BT3
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50572841
PNG
(CHEMBL4854203)
Show SMILES CCN(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1
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TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 mins ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00412
BindingDB Entry DOI: 10.7270/Q2W099RP
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50413306
PNG
(CHEMBL515098)
Show SMILES COc1cc(Nc2c(cnc3c(OC)cc(cc23)S(C)(=O)=O)C(N)=O)ccc1F
Show InChI InChI=1S/C19H18FN3O5S/c1-27-15-6-10(4-5-14(15)20)23-17-12-7-11(29(3,25)26)8-16(28-2)18(12)22-9-13(17)19(21)24/h4-9H,1-3H3,(H2,21,24)(H,22,23)
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n/an/a 5.01n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay

Bioorg Med Chem Lett 19: 1380-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.045
BindingDB Entry DOI: 10.7270/Q2FJ2J0J
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50576462
PNG
(CHEMBL4874566)
Show SMILES [H][C@@]12COC[C@]1([H])[C@H]2NC(=O)c1cc2[C@@H](COc2c(c1)C(=O)NC)c1cccc2[nH]ccc12 |r|
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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))		BDBM50576438
PNG
(CHEMBL4869149)
Show SMILES [H][C@@]12C[C@@H](O)C[C@]1([H])[C@H]2NC(=O)c1cc2c(OC[C@@]2(C)c2ccccc2)c(c1)C(=O)NC |r|
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TBA

Assay Description
Inhibition of 6His-Thr-BRD3 (1 to 435 residues) BD2 domain Y348A or Y73A mutant (unknown origin) incubated for 30 mins by TR-FRET assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM50535093
PNG
(CHEMBL4472827)
Show SMILES CN(C)c1ccc(cn1)-c1cc(NC[C@H]2CCCNC2)c2cccnc2c1 |r|
Show InChI InChI=1S/C22H27N5/c1-27(2)22-8-7-17(15-26-22)18-11-20-19(6-4-10-24-20)21(12-18)25-14-16-5-3-9-23-13-16/h4,6-8,10-12,15-16,23,25H,3,5,9,13-14H2,1-2H3/t16-/m0/s1
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant SYK expressed in baculovirus using Biotin-AAAEEIYGEI as substrate after 60 mins by...

Bioorg Med Chem Lett 26: 4606-4612 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.070
BindingDB Entry DOI: 10.7270/Q2GM8BT3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM50396073
PNG
(CHEMBL1235110)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)c1 |r|
Show InChI InChI=1S/C18H24N6O/c1-11-5-4-6-12(9-11)22-17-13(16(20)25)10-21-18(24-17)23-15-8-3-2-7-14(15)19/h4-6,9-10,14-15H,2-3,7-8,19H2,1H3,(H2,20,25)(H2,21,22,23,24)/t14-,15+/m0/s1
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n/an/a 6.30n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation of Biotin-AAAEEIYGEI substrate after 60 mins by by TR-FRET assay

Bioorg Med Chem Lett 21: 6188-94 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.082
BindingDB Entry DOI: 10.7270/Q2XD12ZW
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50413288
PNG
(CHEMBL517590)
Show SMILES CS(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccc(Cl)c3F)c2c1
Show InChI InChI=1S/C17H13ClFN3O3S/c1-26(24,25)9-5-6-13-10(7-9)16(11(8-21-13)17(20)23)22-14-4-2-3-12(18)15(14)19/h2-8H,1H3,(H2,20,23)(H,21,22)
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n/an/a 6.31n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay

Bioorg Med Chem Lett 19: 1380-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.045
BindingDB Entry DOI: 10.7270/Q2FJ2J0J
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50576461
PNG
(CHEMBL4869239)
Show SMILES CNC(=O)c1cc(cc2[C@@H](COc12)c1cccc2[nH]ccc12)C(=O)NC1CC1 |r|
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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50572846
PNG
(CHEMBL4878095)
Show SMILES COCC(COC)N(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1
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TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 mins ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00412
BindingDB Entry DOI: 10.7270/Q2W099RP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50572865
PNG
(CHEMBL4869314)
Show SMILES CNC(=O)[C@@H](C1CCOCC1)N(CC(c1ccccc1)c1ccccn1)C(=O)c1cc(C)c(=O)n(C)c1 |r|
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TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 mins ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00412
BindingDB Entry DOI: 10.7270/Q2W099RP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM50535107
PNG
(CHEMBL4468047)
Show SMILES CN(C)c1ccc(cn1)-c1cc2ncccc2c(NC[C@H]2CCCNC2)n1 |r|
Show InChI InChI=1S/C21H26N6/c1-27(2)20-8-7-16(14-24-20)18-11-19-17(6-4-10-23-19)21(26-18)25-13-15-5-3-9-22-12-15/h4,6-8,10-11,14-15,22H,3,5,9,12-13H2,1-2H3,(H,25,26)/t15-/m0/s1
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant SYK expressed in baculovirus using Biotin-AAAEEIYGEI as substrate after 60 mins by...

Bioorg Med Chem Lett 26: 4606-4612 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.070
BindingDB Entry DOI: 10.7270/Q2GM8BT3
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))		BDBM50576438
PNG
(CHEMBL4869149)
Show SMILES [H][C@@]12C[C@@H](O)C[C@]1([H])[C@H]2NC(=O)c1cc2c(OC[C@@]2(C)c2ccccc2)c(c1)C(=O)NC |r|
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TBA

Assay Description
Inhibition of 6His-FLAG-Tev-BRDT (1 to 397 residues) BD2 domain Y309A or Y66A mutant (unknown origin) incubated for 30 mins by TR-FRET assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50572839
PNG
(CHEMBL4857388)
Show SMILES CNC(=O)CN(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1
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TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 mins ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00412
BindingDB Entry DOI: 10.7270/Q2W099RP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50572840
PNG
(CHEMBL4863889)
Show SMILES Cc1cc(cn(C)c1=O)C(=O)N(CC(c1ccccc1)c1ccccc1)CC(N)=O
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TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 mins ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00412
BindingDB Entry DOI: 10.7270/Q2W099RP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50572865
PNG
(CHEMBL4869314)
Show SMILES CNC(=O)[C@@H](C1CCOCC1)N(CC(c1ccccc1)c1ccccn1)C(=O)c1cc(C)c(=O)n(C)c1 |r|
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n/an/a 7.94n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 mins ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00412
BindingDB Entry DOI: 10.7270/Q2W099RP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50576472
PNG
(CHEMBL4851227)
Show SMILES [H][C@@]12C[C@H](O)C[C@]1([H])[C@H]2NC(=O)c1cc2c(OC[C@@]2(C)c2ccccc2)c(c1)C(=O)NC |r|
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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50572843
PNG
(CHEMBL4852030)
Show SMILES CC(C1CCCO1)N(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1
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TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 mins ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00412
BindingDB Entry DOI: 10.7270/Q2W099RP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))		BDBM50576438
PNG
(CHEMBL4869149)
Show SMILES [H][C@@]12C[C@@H](O)C[C@]1([H])[C@H]2NC(=O)c1cc2c(OC[C@@]2(C)c2ccccc2)c(c1)C(=O)NC |r|
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TBA

Assay Description
Inhibition of 6His-Thr-BRD2 (1 to 473 residues) BD2 domain Y386A or Y113A mutant (unknown origin) incubated for 30 mins by TR-FRET assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50576443
PNG
(CHEMBL4863270)
Show SMILES CNC(=O)c1cc(cc2[C@@H]([C@@H](CF)Oc12)c1ccccc1)C(=O)N[C@@H]1C[C@H]1C |r|
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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50576444
PNG
(CHEMBL4878167)
Show SMILES CNC(=O)c1cc(cc2[C@@H](COc12)c1ccccc1)C(=O)N[C@H]1C[C@@H]1C |r|
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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM50419258
PNG
(CHEMBL1835070)
Show SMILES Cc1ccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)cc1 |r|
Show InChI InChI=1S/C18H24N6O/c1-11-6-8-12(9-7-11)22-17-13(16(20)25)10-21-18(24-17)23-15-5-3-2-4-14(15)19/h6-10,14-15H,2-5,19H2,1H3,(H2,20,25)(H2,21,22,23,24)/t14-,15+/m0/s1
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation of Biotin-AAAEEIYGEI substrate after 60 mins by by TR-FRET assay

Bioorg Med Chem Lett 21: 6188-94 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.082
BindingDB Entry DOI: 10.7270/Q2XD12ZW
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50543349
PNG
(CHEMBL4640769)
Show SMILES CNC(=O)c1cc(cc2[C@@H]([C@@H](CF)Oc12)c1ccccc1)C(=O)N[C@H]1C[C@@H]1C |r|
Show InChI InChI=1S/C22H23FN2O3/c1-12-8-17(12)25-21(26)14-9-15-19(13-6-4-3-5-7-13)18(11-23)28-20(15)16(10-14)22(27)24-2/h3-7,9-10,12,17-19H,8,11H2,1-2H3,(H,24,27)(H,25,26)/t12-,17-,18+,19-/m0/s1
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GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD4 BD2 (1 to 477 residues)/BD1 Y97A mutant (unknown origin) after 30 mins by TR-FR...

ACS Med Chem Lett 11: 1581-1587 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00247
BindingDB Entry DOI: 10.7270/Q279487V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50566679
PNG
(CHEMBL4846199)
Show SMILES [H][C@@]12COC[C@]1([H])[C@H]2NC(=O)c1cc(Cc2cccc3[nH]ccc23)nc(c1)C(=O)NC |r|
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TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50566686
PNG
(CHEMBL4873182)
Show SMILES [H][C@@]12COC[C@]1([H])[C@H]2NC(=O)c1cc(nc(c1)C(=O)NC)[C@@H](C)c1ccccc1 |r|
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TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))		BDBM50566697
PNG
(CHEMBL4862372)
Show SMILES CNC(=O)c1cc(cc(n1)C(O)c1ccccc1)C(=O)N[C@H]1C[C@@H]1C |r|
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TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD3 BD2/BD1 Y73A mutant (1 to 435 residues) (unknown origin) measured after 30 ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50576447
PNG
(CHEMBL4865372)
Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2NC(=O)c1cc2[C@@H](COc2c(c1)C(=O)NC)c1ccccc1)C(=O)CC |r|
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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50576438
PNG
(CHEMBL4869149)
Show SMILES [H][C@@]12C[C@@H](O)C[C@]1([H])[C@H]2NC(=O)c1cc2c(OC[C@@]2(C)c2ccccc2)c(c1)C(=O)NC |r|
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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50576446
PNG
(CHEMBL4852640)
Show SMILES [H][C@@]12C[C@@H](O)C[C@]1([H])[C@H]2NC(=O)c1cc2[C@@H](COc2c(c1)C(=O)NC)c1ccccc1 |r|
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TBA

Assay Description
Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00344
BindingDB Entry DOI: 10.7270/Q2S46WSG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM50419256
PNG
(CHEMBL1835065 | US9579320, Example 302)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCOC[C@@H]3N)ncc2C(N)=O)c1 |r|
Show InChI InChI=1S/C17H22N6O2/c1-10-3-2-4-11(7-10)21-16-12(15(19)24)8-20-17(23-16)22-14-5-6-25-9-13(14)18/h2-4,7-8,13-14H,5-6,9,18H2,1H3,(H2,19,24)(H2,20,21,22,23)/t13-,14+/m0/s1
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation of Biotin-AAAEEIYGEI substrate after 60 mins by by TR-FRET assay

Bioorg Med Chem Lett 21: 6188-94 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.082
BindingDB Entry DOI: 10.7270/Q2XD12ZW
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50566697
PNG
(CHEMBL4862372)
Show SMILES CNC(=O)c1cc(cc(n1)C(O)c1ccccc1)C(=O)N[C@H]1C[C@@H]1C |r|
PDB

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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 m...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02155
BindingDB Entry DOI: 10.7270/Q2JH3QXP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50572842
PNG
(CHEMBL4878445)
Show SMILES CC(C#N)N(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1
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TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 mins ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00412
BindingDB Entry DOI: 10.7270/Q2W099RP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50543360
PNG
(CHEMBL4643660)
Show SMILES CNC(=O)c1cc(cc2[C@@H]([C@@H](C)Oc12)c1ccccc1)C(=O)NC1CC1 |r|
Show InChI InChI=1S/C21H22N2O3/c1-12-18(13-6-4-3-5-7-13)16-10-14(20(24)23-15-8-9-15)11-17(19(16)26-12)21(25)22-2/h3-7,10-12,15,18H,8-9H2,1-2H3,(H,22,25)(H,23,24)/t12-,18+/m1/s1
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GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD4 BD2 (1 to 477 residues)/BD1 Y97A mutant (unknown origin) after 30 mins by TR-FR...

ACS Med Chem Lett 11: 1581-1587 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00247
BindingDB Entry DOI: 10.7270/Q279487V
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50572876
PNG
(CHEMBL4846310)
Show SMILES CNC(=O)C(C1CCOC1)N(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1
PDB

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UniProtKB/SwissProt

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antibodypedia
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n/an/a 15.8n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Alexa Fluor 647 labelled ligand from 6His-tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 mins ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00412
BindingDB Entry DOI: 10.7270/Q2W099RP
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50413299
PNG
(CHEMBL463417)
Show SMILES CS(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C17H14ClN3O3S/c1-25(23,24)12-5-6-15-13(8-12)16(14(9-20-15)17(19)22)21-11-4-2-3-10(18)7-11/h2-9H,1H3,(H2,19,22)(H,20,21)
PDB

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Article
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n/an/a 15.8n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay

Bioorg Med Chem Lett 19: 1380-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.045
BindingDB Entry DOI: 10.7270/Q2FJ2J0J
More data for this
Ligand-Target Pair
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