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Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with Target = 'Transcription activator BRG1' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Transcription activator BRG1


(Homo sapiens)
BDBM50443232
PNG
(CHEMBL3086883)
Show SMILES Cc1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)c(N)cc1O
Show InChI InChI=1S/C18H17N5O3S/c1-12-10-16(15(19)11-17(12)24)22-21-13-5-7-14(8-6-13)27(25,26)23-18-4-2-3-9-20-18/h2-11,24H,19H2,1H3,(H,20,23)
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7.97E+3n/an/an/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled MS239 from recombinant human SMARCA4 bromodomain after 1 hr by fluorescence anisotropy assay


J Med Chem 56: 9251-64 (2013)

More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens)
BDBM50184973
PNG
(CHEMBL3822828)
Show SMILES O=c1nc2\C(CCn2c2ccccc12)=C\N1CCCCC1
Show InChI InChI=1S/C17H19N3O/c21-17-14-6-2-3-7-15(14)20-11-8-13(16(20)18-17)12-19-9-4-1-5-10-19/h2-3,6-7,12H,1,4-5,8-11H2/b13-12+
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n/an/a 6.20E+3n/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human recombinant SMARCA4 bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells after 30 mins using biotinyla...


J Med Chem 59: 5095-101 (2016)

More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens)
BDBM50184975
PNG
(CHEMBL3823214)
Show SMILES CCN1CCN(CC1)\C=C1/CCn2c1nc(=O)c1ccccc21
Show InChI InChI=1S/C18H22N4O/c1-2-20-9-11-21(12-10-20)13-14-7-8-22-16-6-4-3-5-15(16)18(23)19-17(14)22/h3-6,13H,2,7-12H2,1H3/b14-13+
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n/an/a 6.90E+3n/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human recombinant SMARCA4 bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells after 30 mins using biotinyla...


J Med Chem 59: 5095-101 (2016)

More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens)
BDBM50184974
PNG
(CHEMBL3823057)
Show SMILES CN1CCN(CC1)\C=C1/CCn2c1nc(=O)c1ccccc21
Show InChI InChI=1S/C17H20N4O/c1-19-8-10-20(11-9-19)12-13-6-7-21-15-5-3-2-4-14(15)17(22)18-16(13)21/h2-5,12H,6-11H2,1H3/b13-12+
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n/an/a 7.30E+3n/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human recombinant SMARCA4 bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells after 30 mins using biotinyla...


J Med Chem 59: 5095-101 (2016)

More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens)
BDBM50184972
PNG
(CHEMBL3823525)
Show SMILES O=c1nc2\C(CCn2c2ccccc12)=C\N1CCCC1
Show InChI InChI=1S/C16H17N3O/c20-16-13-5-1-2-6-14(13)19-10-7-12(15(19)17-16)11-18-8-3-4-9-18/h1-2,5-6,11H,3-4,7-10H2/b12-11+
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n/an/a 9.60E+3n/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human recombinant SMARCA4 bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells after 30 mins using biotinyla...


J Med Chem 59: 5095-101 (2016)

More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens)
BDBM50184971
PNG
(CHEMBL3823210)
Show SMILES CN(C)\C=C1/CCn2c1nc(=O)c1ccccc21
Show InChI InChI=1S/C14H15N3O/c1-16(2)9-10-7-8-17-12-6-4-3-5-11(12)14(18)15-13(10)17/h3-6,9H,7-8H2,1-2H3/b10-9+
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human recombinant SMARCA4 bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells after 30 mins using biotinyla...


J Med Chem 59: 5095-101 (2016)

More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens)
BDBM50184976
PNG
(CHEMBL3823365)
Show SMILES CN1CCCN(CC1)\C=C1/CCn2c1nc(=O)c1ccccc21
Show InChI InChI=1S/C18H22N4O/c1-20-8-4-9-21(12-11-20)13-14-7-10-22-16-6-3-2-5-15(16)18(23)19-17(14)22/h2-3,5-6,13H,4,7-12H2,1H3/b14-13+
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n/an/a 2.20E+4n/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human recombinant SMARCA4 bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells after 30 mins using biotinyla...


J Med Chem 59: 5095-101 (2016)

More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens)
BDBM50184981
PNG
(CHEMBL3823055)
Show SMILES CCC(CC)\C=C1/CCn2c1nc(=O)c1c(Cl)cccc21
Show InChI InChI=1S/C17H19ClN2O/c1-3-11(4-2)10-12-8-9-20-14-7-5-6-13(18)15(14)17(21)19-16(12)20/h5-7,10-11H,3-4,8-9H2,1-2H3/b12-10+
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n/an/an/a 2.03E+3n/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged human recombinant SMARCA4 bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by VP-ITC microcalorime...


J Med Chem 59: 5095-101 (2016)

More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens)
BDBM50184979
PNG
(CHEMBL3822689)
Show SMILES CN1CCN(CC1)\C=C1/CCn2c1nc(=O)c1c(Cl)cccc21
Show InChI InChI=1S/C17H19ClN4O/c1-20-7-9-21(10-8-20)11-12-5-6-22-14-4-2-3-13(18)15(14)17(23)19-16(12)22/h2-4,11H,5-10H2,1H3/b12-11+
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n/an/an/a 417n/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged human recombinant SMARCA4 bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by VP-ITC microcalorime...


J Med Chem 59: 5095-101 (2016)

More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens)
BDBM50158688
PNG
(CHEMBL3752911)
Show SMILES Oc1ccccc1C(=O)\C=C\N1C[C@H]2C[C@@H]1CN2c1ccccn1
Show InChI InChI=1/C19H19N3O2/c23-17-6-2-1-5-16(17)18(24)8-10-21-12-15-11-14(21)13-22(15)19-7-3-4-9-20-19/h1-10,14-15,23H,11-13H2/b10-8+/t14-,15-/s2
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n/an/an/a<100n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human SMARCA4 expressed in BL21 (DE3)-R3-BirA cells by isothermal titration calorimetry


J Med Chem 59: 4800-11 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription activator BRG1


(Homo sapiens)
BDBM50182280
PNG
(CHEMBL3819245)
Show SMILES Oc1ccccc1C(=O)\C=C\N1CCc2c(C1)ncnc2NC1CC1
Show InChI InChI=1S/C19H20N4O2/c24-17-4-2-1-3-15(17)18(25)8-10-23-9-7-14-16(11-23)20-12-21-19(14)22-13-5-6-13/h1-4,8,10,12-13,24H,5-7,9,11H2,(H,20,21,22)/b10-8+
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n/an/an/a 49n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human SMARCA4 expressed in BL21 (DE3)-R3-BirA cells by isothermal titration calorimetry


J Med Chem 59: 4800-11 (2016)

More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens)
BDBM50158688
PNG
(CHEMBL3752911)
Show SMILES Oc1ccccc1C(=O)\C=C\N1C[C@H]2C[C@@H]1CN2c1ccccn1
Show InChI InChI=1/C19H19N3O2/c23-17-6-2-1-5-16(17)18(24)8-10-21-12-15-11-14(21)13-22(15)19-7-3-4-9-20-19/h1-10,14-15,23H,11-13H2/b10-8+/t14-,15-/s2
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n/an/an/a 89n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to SMARCA4 (unknown origin) by isothermal titration calorimetric analysis


J Med Chem 59: 1271-98 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription activator BRG1


(Homo sapiens)
BDBM50148271
PNG
(CHEMBL3769590)
Show SMILES CCCOc1ccn2c(cc(-c3cccc(OC)c3)c2c1)C(C)=O
Show InChI InChI=1S/C20H21NO3/c1-4-10-24-17-8-9-21-19(14(2)22)13-18(20(21)12-17)15-6-5-7-16(11-15)23-3/h5-9,11-13H,4,10H2,1-3H3
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n/an/an/a 1.58E+4n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to SMARCA4 in human HUT78 cell extract by chemoproteomic competition binding assay


J Med Chem 59: 1410-24 (2016)

More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens)
BDBM50098311
PNG
(CHEMBL3590408)
Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1
Show InChI InChI=1/C27H35N5O4S/c1-17-10-20(13-28-12-17)22-14-29-26(25-21(22)11-18(2)27(33)31-25)30-23-4-7-32(3)15-24(23)36-16-19-5-8-37(34,35)9-6-19/h10-14,19,23-24H,4-9,15-16H2,1-3H3,(H,29,30)(H,31,33)/t23-,24-/s2
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n/an/an/a 2.00E+4n/an/an/an/an/a



¿Cellzome GmbH, Molecular Discovery Research, GlaxoSmithKline, Meyerhofstrasse 1, 69117 Heidelberg, Germany.

Curated by ChEMBL


Assay Description
Binding affinity to SMARCA4 in human HUT78 cells incubated for 45 mins by mass spectrometry based bromosphere chemoproteomic assay


J Med Chem 58: 6151-78 (2015)

More data for this
Ligand-Target Pair
Transcription activator BRG1


(Homo sapiens)
BDBM50158688
PNG
(CHEMBL3752911)
Show SMILES Oc1ccccc1C(=O)\C=C\N1C[C@H]2C[C@@H]1CN2c1ccccn1
Show InChI InChI=1/C19H19N3O2/c23-17-6-2-1-5-16(17)18(24)8-10-21-12-15-11-14(21)13-22(15)19-7-3-4-9-20-19/h1-10,14-15,23H,11-13H2/b10-8+/t14-,15-/s2
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n/an/an/a 89n/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged human recombinant SMARCA4 bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by VP-ITC microcalorime...


J Med Chem 59: 5095-101 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription activator BRG1


(Homo sapiens)
BDBM50092310
PNG
(CHEMBL3581661)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)[nH]nc3C3CC3)c21
Show InChI InChI=1S/C24H23N5O2/c1-11-21(23(28-27-11)14-5-6-14)24-22-15-10-19(30-4)16(20-12(2)29-31-13(20)3)9-18(15)26-17(22)7-8-25-24/h7-10,14,26H,5-6H2,1-4H3,(H,27,28)
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n/an/an/a>1.00E+4n/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated BRG1 (59 to 180 amino acid residues) (unknown origin) expressed in Rosetta2 cells by bio-layer interferometry method


J Med Chem 58: 4927-39 (2015)

More data for this
Ligand-Target Pair