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Compile Data Set for Download or QSAR

Found 646 hits with Last Name = 'lugo' and Initial = 'd'   
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
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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n/an/a 2.5n/an/an/an/an/an/a



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
Peregrin


(Homo sapiens (Human))
BDBM50189403
PNG
(CHEMBL3828191)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCNC[C@H]1C |r|
Show InChI InChI=1S/C22H27N5O3/c1-14-13-23-9-10-27(14)17-12-19-18(25(2)22(29)26(19)3)11-16(17)24-21(28)15-7-5-6-8-20(15)30-4/h5-8,11-12,14,23H,9-10,13H2,1-4H3,(H,24,28)/t14-/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full length BRPF1 in human HUT78 cell nuclear/chromatin extract after 45 mins by chemoproteomic competition binding assay


ACS Med Chem Lett 7: 552-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00092
BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50607759
PNG
(CHEMBL5218813)
Show SMILES CCOc1ccc2[C@@H](C)C(=O)N(C)C=C(c3cn[nH]c3)c2c1 |r,t:13|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR
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
Peregrin


(Homo sapiens (Human))
BDBM50189392
PNG
(CHEMBL3828311)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCC[C@H]1C |r|
Show InChI InChI=1S/C22H26N4O3/c1-14-8-7-11-26(14)17-13-19-18(24(2)22(28)25(19)3)12-16(17)23-21(27)15-9-5-6-10-20(15)29-4/h5-6,9-10,12-14H,7-8,11H2,1-4H3,(H,23,27)/t14-/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00092
BindingDB Entry DOI: 10.7270/Q2S184G2
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
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
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50607759
PNG
(CHEMBL5218813)
Show SMILES CCOc1ccc2[C@@H](C)C(=O)N(C)C=C(c3cn[nH]c3)c2c1 |r,t:13|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR
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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n/an/a 7.90n/an/an/an/an/an/a



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))
BDBM50607758
PNG
(CHEMBL5219991)
Show SMILES CCOc1ccc2[C@@H](C)C(=O)N(C)C=C(c3cnn(C)c3)c2c1 |r,t:13|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50189403
PNG
(CHEMBL3828191)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCNC[C@H]1C |r|
Show InChI InChI=1S/C22H27N5O3/c1-14-13-23-9-10-27(14)17-12-19-18(25(2)22(29)26(19)3)11-16(17)24-21(28)15-7-5-6-8-20(15)30-4/h5-8,11-12,14,23H,9-10,13H2,1-4H3,(H,24,28)/t14-/m1/s1
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n/an/a 7.90n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00092
BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 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))
BDBM50607761
PNG
(CHEMBL5221069)
Show SMILES CCOc1ccc2[C@@H](C)C(=O)N(C)C=C(c3c[nH]cn3)c2c1 |r,t:13|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR
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))
BDBM50526962
PNG
(CHEMBL4448056)
Show SMILES Cc1cc(cn(C)c1=O)-c1nc2cc(ccc2n1CC1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C24H30N4O3/c1-17-13-19(16-26(2)24(17)29)23-25-21-14-20(27-7-11-31-12-8-27)3-4-22(21)28(23)15-18-5-9-30-10-6-18/h3-4,13-14,16,18H,5-12,15H2,1-2H3
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GSK

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant incubated...


J Med Chem 63: 714-746 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01670
BindingDB Entry DOI: 10.7270/Q2TF01RT
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50607761
PNG
(CHEMBL5221069)
Show SMILES CCOc1ccc2[C@@H](C)C(=O)N(C)C=C(c3c[nH]cn3)c2c1 |r,t:13|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50607758
PNG
(CHEMBL5219991)
Show SMILES CCOc1ccc2[C@@H](C)C(=O)N(C)C=C(c3cnn(C)c3)c2c1 |r,t:13|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR
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))
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 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))
BDBM50526964
PNG
(CHEMBL4438171)
Show SMILES COCC(COC)n1c(nc2cc(ccc12)N1CCOCC1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C23H30N4O4/c1-16-11-17(13-25(2)23(16)28)22-24-20-12-18(26-7-9-31-10-8-26)5-6-21(20)27(22)19(14-29-3)15-30-4/h5-6,11-13,19H,7-10,14-15H2,1-4H3
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GSK

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant incubated...


J Med Chem 63: 714-746 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01670
BindingDB Entry DOI: 10.7270/Q2TF01RT
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))
BDBM50526964
PNG
(CHEMBL4438171)
Show SMILES COCC(COC)n1c(nc2cc(ccc12)N1CCOCC1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C23H30N4O4/c1-16-11-17(13-25(2)23(16)28)22-24-20-12-18(26-7-9-31-10-8-26)5-6-21(20)27(22)19(14-29-3)15-30-4/h5-6,11-13,19H,7-10,14-15H2,1-4H3
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50607762
PNG
(CHEMBL5220494)
Show SMILES CCOc1ccc2[C@@H](C)C(=O)N(C)C=C(c3c[nH]c(C)n3)c2c1 |r,t:13|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50607765
PNG
(CHEMBL5218726)
Show SMILES C[C@@H]1c2ccc(cc2C(=CN(C)C1=O)c1cn[nH]c1)[C@H](O)CO |r,c:9|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50535089
PNG
(CHEMBL4528289)
Show SMILES CN(C)c1ccc(cn1)-c1cc2nccnc2c(NC[C@H]2CCCNC2)n1 |r|
Show InChI InChI=1S/C20H25N7/c1-27(2)18-6-5-15(13-24-18)16-10-17-19(23-9-8-22-17)20(26-16)25-12-14-4-3-7-21-11-14/h5-6,8-10,13-14,21H,3-4,7,11-12H2,1-2H3,(H,25,26)/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
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50544335
PNG
(CHEMBL4648431)
Show SMILES CNC(=O)c1cc(cn(Cc2cccc3[nH]ccc23)c1=O)C(=O)NC1CC1
Show InChI InChI=1S/C20H20N4O3/c1-21-19(26)16-9-13(18(25)23-14-5-6-14)11-24(20(16)27)10-12-3-2-4-17-15(12)7-8-22-17/h2-4,7-9,11,14,22H,5-6,10H2,1H3,(H,21,26)(H,23,25)
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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))
BDBM50543343
PNG
(CHEMBL4637298)
Show SMILES [H][C@@]12COC[C@]1([H])[C@@H]2NC(=O)c1cc2[C@@H]([C@@H](CF)Oc2c(c1)C(=O)NC)c1ccccc1 |r|
Show InChI InChI=1S/C23H23FN2O4/c1-25-23(28)15-8-13(22(27)26-20-16-10-29-11-17(16)20)7-14-19(12-5-3-2-4-6-12)18(9-24)30-21(14)15/h2-8,16-20H,9-11H2,1H3,(H,25,28)(H,26,27)/t16-,17+,18-,19+,20-/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))
BDBM50566685
PNG
(CHEMBL4860220)
Show SMILES CNC(=O)c1cc(cc(n1)[C@@H](C)c1ccccc1)C(=O)NC1CC1 |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
Peregrin


(Homo sapiens (Human))
BDBM50189402
PNG
(CHEMBL3828008)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCC[C@@H]1C |r|
Show InChI InChI=1S/C22H26N4O3/c1-14-8-7-11-26(14)17-13-19-18(24(2)22(28)25(19)3)12-16(17)23-21(27)15-9-5-6-10-20(15)29-4/h5-6,9-10,12-14H,7-8,11H2,1-4H3,(H,23,27)/t14-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...


ACS Med Chem Lett 7: 552-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00092
BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens (Human))
BDBM50607762
PNG
(CHEMBL5220494)
Show SMILES CCOc1ccc2[C@@H](C)C(=O)N(C)C=C(c3c[nH]c(C)n3)c2c1 |r,t:13|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50535088
PNG
(CHEMBL4584789)
Show SMILES Cc1ccc(s1)-c1cc2nccnc2c(NC[C@H]2CCCNC2)n1 |r|
Show InChI InChI=1S/C18H21N5S/c1-12-4-5-16(24-12)14-9-15-17(21-8-7-20-15)18(23-14)22-11-13-3-2-6-19-10-13/h4-5,7-9,13,19H,2-3,6,10-11H2,1H3,(H,22,23)/t13-/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))
BDBM50607769
PNG
(CHEMBL5219538)
Show SMILES C[C@@H]1c2ccc(OCCO)cc2C(=CN(C)C1=O)c1c[nH]c(C)n1 |r,c:13|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50543348
PNG
(CHEMBL4647044)
Show SMILES CNC(=O)c1cc(cc2[C@@H]([C@@H](CF)Oc12)c1ccccc1)C(=O)N[C@@H]1C[C@H]1CO |r|
Show InChI InChI=1S/C22H23FN2O4/c1-24-22(28)16-8-13(21(27)25-17-9-14(17)11-26)7-15-19(12-5-3-2-4-6-12)18(10-23)29-20(15)16/h2-8,14,17-19,26H,9-11H2,1H3,(H,24,28)(H,25,27)/t14-,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
C-C motif chemokine 2


(Homo sapiens (Human))
BDBM50607758
PNG
(CHEMBL5219991)
Show SMILES CCOc1ccc2[C@@H](C)C(=O)N(C)C=C(c3cnn(C)c3)c2c1 |r,t:13|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50607760
PNG
(CHEMBL5219194)
Show SMILES CCOc1ccc2C(C)C(=O)N(C)C=C(c3cc[nH]n3)c2c1 |t:13|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50607762
PNG
(CHEMBL5220494)
Show SMILES CCOc1ccc2[C@@H](C)C(=O)N(C)C=C(c3c[nH]c(C)n3)c2c1 |r,t:13|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50603088
PNG
(CHEMBL5203965)
Show SMILES C[C@H]1C[C@@H](Nc2cccc(Cl)c2)c2cc(ccc2N1C(C)=O)C(N)=O |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01747
BindingDB Entry DOI: 10.7270/Q23B646M
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50535105
PNG
(CHEMBL4455268)
Show SMILES Cc1ccc(cc1)-c1cc2ncccc2c(NC[C@H]2CCCNC2)n1 |r|
Show InChI InChI=1S/C21H24N4/c1-15-6-8-17(9-7-15)19-12-20-18(5-3-11-23-20)21(25-19)24-14-16-4-2-10-22-13-16/h3,5-9,11-12,16,22H,2,4,10,13-14H2,1H3,(H,24,25)/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
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50566695
PNG
(CHEMBL4846439)
Show SMILES CNC(=O)c1cc(cc(n1)C(CC#N)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 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))
BDBM50566687
PNG
(CHEMBL4865699)
Show SMILES [H][C@@]12C[C@H](O)C[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
Peregrin


(Homo sapiens (Human))
BDBM50189403
PNG
(CHEMBL3828191)
Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCNC[C@H]1C |r|
Show InChI InChI=1S/C22H27N5O3/c1-14-13-23-9-10-27(14)17-12-19-18(25(2)22(29)26(19)3)11-16(17)24-21(28)15-7-5-6-8-20(15)30-4/h5-8,11-12,14,23H,9-10,13H2,1-4H3,(H,24,28)/t14-/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to NanoLuc-tagged BRPF1 isoform 1 bromodomain (625 to 735 residues) (unknown origin) expressed in HEK293 cells co-transfected with h...


ACS Med Chem Lett 7: 552-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00092
BindingDB Entry DOI: 10.7270/Q2S184G2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50566690
PNG
(CHEMBL4863255)
Show SMILES [H][C@@]12COC[C@]1([H])[C@H]2NC(=O)c1cc(nc(c1)C(=O)NC)C(O)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 4


(Homo sapiens (Human))
BDBM50607766
PNG
(CHEMBL5220128)
Show SMILES C[C@@H]1c2ccc(cc2C(=CN(C)C1=O)c1cn[nH]c1)[C@@H](O)CO |r,c:9|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50607763
PNG
(CHEMBL5218817)
Show SMILES CCOc1ccc2[C@@H](C)C(=O)N(C)C=C(c3cn(C)cn3)c2c1 |r,t:13|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50543350
PNG
(CHEMBL4646186)
Show SMILES CNC(=O)c1cc(cc2[C@@H]([C@@H](CF)Oc12)c1ccccc1)C(=O)NC1CC1 |r|
Show InChI InChI=1S/C21H21FN2O3/c1-23-21(26)16-10-13(20(25)24-14-7-8-14)9-15-18(12-5-3-2-4-6-12)17(11-22)27-19(15)16/h2-6,9-10,14,17-18H,7-8,11H2,1H3,(H,23,26)(H,24,25)/t17-,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))
BDBM50566693
PNG
(CHEMBL4857098)
Show SMILES [H][C@@]12C[C@@H](O)C[C@]1([H])[C@H]2NC(=O)c1cc(nc(c1)C(=O)NC)C(OC)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
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50535118
PNG
(CHEMBL4460283)
Show SMILES Cc1ccc(cc1)-c1cc2nccnc2c(NC[C@H]2CCCNC2)n1 |r|
Show InChI InChI=1S/C20H23N5/c1-14-4-6-16(7-5-14)17-11-18-19(23-10-9-22-18)20(25-17)24-13-15-3-2-8-21-12-15/h4-7,9-11,15,21H,2-3,8,12-13H2,1H3,(H,24,25)/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
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50535102
PNG
(CHEMBL4570588)
Show SMILES CN(C)c1ccc(cn1)-c1cc2nccnc2c(NC[C@@H]2CNCCO2)n1 |r|
Show InChI InChI=1S/C19H23N7O/c1-26(2)17-4-3-13(10-23-17)15-9-16-18(22-6-5-21-16)19(25-15)24-12-14-11-20-7-8-27-14/h3-6,9-10,14,20H,7-8,11-12H2,1-2H3,(H,24,25)/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
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