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Compile Data Set for Download or QSAR

Found 71 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 9'   
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
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50148456
PNG
(CHEMBL3770188)
Show SMILES COc1ccc(cc1OC)-c1cn(C)c(=O)c2cc(sc12)C(=N)NC1CCS(=O)(=O)CC1
Show InChI InChI=1S/C22H25N3O5S2/c1-25-12-16(13-4-5-17(29-2)18(10-13)30-3)20-15(22(25)26)11-19(31-20)21(23)24-14-6-8-32(27,28)9-7-14/h4-5,10-12,14H,6-9H2,1-3H3,(H2,23,24)
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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 BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay


J Med Chem 59: 1425-39 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50183567
PNG
(CHEMBL3823177)
Show SMILES COc1cc(cc(OC)c1CN1CC(N)C1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C19H25N3O3/c1-12-5-14(8-21(2)19(12)23)13-6-17(24-3)16(18(7-13)25-4)11-22-9-15(20)10-22/h5-8,15H,9-11,20H2,1-4H3
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n/an/a 9n/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged BRD9 isoform 1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by Al...


J Med Chem 59: 4462-75 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50148387
PNG
(CHEMBL3769944)
Show SMILES CN(C)c1cccc(c1)-c1cn(C)c(=O)c2cc(sc12)C(=N)NC1CCS(=O)(=O)CC1
Show InChI InChI=1S/C22H26N4O3S2/c1-25(2)16-6-4-5-14(11-16)18-13-26(3)22(27)17-12-19(30-20(17)18)21(23)24-15-7-9-31(28,29)10-8-15/h4-6,11-13,15H,7-10H2,1-3H3,(H2,23,24)
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay


J Med Chem 59: 1425-39 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50148386
PNG
(CHEMBL3769855)
Show SMILES COc1cccc(c1)-c1cn(C)c(=O)c2cc(sc12)C(=N)NC1CCS(=O)(=O)CC1
Show InChI InChI=1S/C21H23N3O4S2/c1-24-12-17(13-4-3-5-15(10-13)28-2)19-16(21(24)25)11-18(29-19)20(22)23-14-6-8-30(26,27)9-7-14/h3-5,10-12,14H,6-9H2,1-2H3,(H2,22,23)
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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay


J Med Chem 59: 1425-39 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50148459
PNG
(CHEMBL3769688)
Show SMILES COc1ccc(cc1OC)-c1cn(C)c(=O)c2cc(sc12)C(=O)NC1CCS(=O)(=O)CC1
Show InChI InChI=1S/C22H24N2O6S2/c1-24-12-16(13-4-5-17(29-2)18(10-13)30-3)20-15(22(24)26)11-19(31-20)21(25)23-14-6-8-32(27,28)9-7-14/h4-5,10-12,14H,6-9H2,1-3H3,(H,23,25)
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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay


J Med Chem 59: 1425-39 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50148385
PNG
(CHEMBL3770949)
Show SMILES Cn1cc(-c2cccc(c2)C(F)(F)F)c2sc(cc2c1=O)C(=N)NC1CCS(=O)(=O)CC1
Show InChI InChI=1S/C21H20F3N3O3S2/c1-27-11-16(12-3-2-4-13(9-12)21(22,23)24)18-15(20(27)28)10-17(31-18)19(25)26-14-5-7-32(29,30)8-6-14/h2-4,9-11,14H,5-8H2,1H3,(H2,25,26)
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay


J Med Chem 59: 1425-39 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50183448
PNG
(CHEMBL3823478)
Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2cnccc12
Show InChI InChI=1S/C20H23N3O3/c1-22(2)11-17-18(25-4)8-13(9-19(17)26-5)16-12-23(3)20(24)15-10-21-7-6-14(15)16/h6-10,12H,11H2,1-5H3
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n/an/a 19n/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged BRD9 isoform 1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by Al...


J Med Chem 59: 4462-75 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50183568
PNG
(CHEMBL3823369)
Show SMILES COc1cc(cc(OC)c1CN1CC(O)C1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C19H24N2O4/c1-12-5-14(8-20(2)19(12)23)13-6-17(24-3)16(18(7-13)25-4)11-21-9-15(22)10-21/h5-8,15,22H,9-11H2,1-4H3
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n/an/a 21n/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged BRD9 isoform 1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by Al...


J Med Chem 59: 4462-75 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50183561
PNG
(CHEMBL3824146)
Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C21H24N2O3/c1-22(2)12-18-19(25-4)10-14(11-20(18)26-5)17-13-23(3)21(24)16-9-7-6-8-15(16)17/h6-11,13H,12H2,1-5H3
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n/an/a 30n/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged BRD9 isoform 1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by Al...


J Med Chem 59: 4462-75 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50183562
PNG
(CHEMBL3823599)
Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c(C)c1C
Show InChI InChI=1S/C19H26N2O3/c1-12-13(2)19(22)21(5)11-15(12)14-8-17(23-6)16(10-20(3)4)18(9-14)24-7/h8-9,11H,10H2,1-7H3
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n/an/a 37n/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged BRD9 isoform 1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by Al...


J Med Chem 59: 4462-75 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50183453
PNG
(CHEMBL3824312)
Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2cncnc12
Show InChI InChI=1S/C19H22N4O3/c1-22(2)9-15-16(25-4)6-12(7-17(15)26-5)14-10-23(3)19(24)13-8-20-11-21-18(13)14/h6-8,10-11H,9H2,1-5H3
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n/an/a 37n/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged BRD9 isoform 1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by Al...


J Med Chem 59: 4462-75 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50148375
PNG
(CHEMBL3769628)
Show SMILES Cn1cc(-c2cccc(c2)C#N)c2sc(cc2c1=O)C(=N)NC1CCS(=O)(=O)CC1
Show InChI InChI=1S/C21H20N4O3S2/c1-25-12-17(14-4-2-3-13(9-14)11-22)19-16(21(25)26)10-18(29-19)20(23)24-15-5-7-30(27,28)8-6-15/h2-4,9-10,12,15H,5-8H2,1H3,(H2,23,24)
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay


J Med Chem 59: 1425-39 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50148457
PNG
(CHEMBL3769509)
Show SMILES Cn1cc(-c2ccccc2)c2sc(cc2c1=O)C(=N)NC1CCS(=O)(=O)CC1
Show InChI InChI=1S/C20H21N3O3S2/c1-23-12-16(13-5-3-2-4-6-13)18-15(20(23)24)11-17(27-18)19(21)22-14-7-9-28(25,26)10-8-14/h2-6,11-12,14H,7-10H2,1H3,(H2,21,22)
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay


J Med Chem 59: 1425-39 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50147620
PNG
(CHEMBL3769507)
Show SMILES CCn1cc(-c2cccc(c2)C(F)(F)F)c2sc(cc2c1=O)C(=N)NC1CCS(=O)(=O)CC1
Show InChI InChI=1S/C22H22F3N3O3S2/c1-2-28-12-17(13-4-3-5-14(10-13)22(23,24)25)19-16(21(28)29)11-18(32-19)20(26)27-15-6-8-33(30,31)9-7-15/h3-5,10-12,15H,2,6-9H2,1H3,(H2,26,27)
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n/an/a 50n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay


J Med Chem 59: 1425-39 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50183564
PNG
(CHEMBL3822990)
Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C18H24N2O3/c1-12-7-14(10-20(4)18(12)21)13-8-16(22-5)15(11-19(2)3)17(9-13)23-6/h7-10H,11H2,1-6H3
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n/an/a 54n/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged BRD9 isoform 1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by Al...


J Med Chem 59: 4462-75 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50183563
PNG
(CHEMBL3823697)
Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cc(C)c(=O)n(C)c1C
Show InChI InChI=1S/C19H26N2O3/c1-12-8-15(13(2)21(5)19(12)22)14-9-17(23-6)16(11-20(3)4)18(10-14)24-7/h8-10H,11H2,1-7H3
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n/an/a 57n/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged BRD9 isoform 1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by Al...


J Med Chem 59: 4462-75 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50183449
PNG
(CHEMBL3823101)
Show SMILES COc1cc(c(OC)cc1CN(C)C)-c1cn(C)c(=O)c2cnccc12
Show InChI InChI=1S/C20H23N3O3/c1-22(2)11-13-8-19(26-5)15(9-18(13)25-4)17-12-23(3)20(24)16-10-21-7-6-14(16)17/h6-10,12H,11H2,1-5H3
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n/an/a 75n/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged BRD9 isoform 1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by Al...


J Med Chem 59: 4462-75 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50148388
PNG
(CHEMBL3770367)
Show SMILES CNC(=N)c1cc2c(s1)c(cn(C)c2=O)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C18H19N3O3S/c1-20-17(19)15-8-11-16(25-15)12(9-21(2)18(11)22)10-5-6-13(23-3)14(7-10)24-4/h5-9H,1-4H3,(H2,19,20)
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n/an/a 79n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay


J Med Chem 59: 1425-39 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50147620
PNG
(CHEMBL3769507)
Show SMILES CCn1cc(-c2cccc(c2)C(F)(F)F)c2sc(cc2c1=O)C(=N)NC1CCS(=O)(=O)CC1
Show InChI InChI=1S/C22H22F3N3O3S2/c1-2-28-12-17(13-4-3-5-14(10-13)22(23,24)25)19-16(21(28)29)11-18(32-19)20(26)27-15-6-8-33(30,31)9-7-15/h3-5,10-12,15H,2,6-9H2,1H3,(H2,26,27)
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n/an/a 79n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BRD9 in human HUT78 cells incubated for 45 mins by chemoproteomic competition binding assay


J Med Chem 59: 1425-39 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50148458
PNG
(CHEMBL3770039)
Show SMILES CNC(=O)c1cc2c(s1)c(cn(C)c2=O)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C18H18N2O4S/c1-19-17(21)15-8-11-16(25-15)12(9-20(2)18(11)22)10-5-6-13(23-3)14(7-10)24-4/h5-9H,1-4H3,(H,19,21)
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay


J Med Chem 59: 1425-39 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50183517
PNG
(CHEMBL3823859)
Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2ccncc12
Show InChI InChI=1S/C20H23N3O3/c1-22(2)11-17-18(25-4)8-13(9-19(17)26-5)16-12-23(3)20(24)14-6-7-21-10-15(14)16/h6-10,12H,11H2,1-5H3
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n/an/a 128n/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged BRD9 isoform 1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by Al...


J Med Chem 59: 4462-75 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50183452
PNG
(CHEMBL3824351)
Show SMILES COc1cc(c(OC)cc1CN(C)C)-c1cc(C)c(=O)n(C)c1C
Show InChI InChI=1S/C19H26N2O3/c1-12-8-15(13(2)21(5)19(12)22)16-10-17(23-6)14(11-20(3)4)9-18(16)24-7/h8-10H,11H2,1-7H3
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Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged BRD9 isoform 1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by Al...


J Med Chem 59: 4462-75 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50183454
PNG
(CHEMBL3822539)
Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2cccnc12
Show InChI InChI=1S/C20H23N3O3/c1-22(2)11-16-17(25-4)9-13(10-18(16)26-5)15-12-23(3)20(24)14-7-6-8-21-19(14)15/h6-10,12H,11H2,1-5H3
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n/an/a 134n/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged BRD9 isoform 1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by Al...


J Med Chem 59: 4462-75 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50183450
PNG
(CHEMBL3824133)
Show SMILES COc1cc(c(OC)cc1CN(C)C)-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C21H24N2O3/c1-22(2)12-14-10-20(26-5)17(11-19(14)25-4)18-13-23(3)21(24)16-9-7-6-8-15(16)18/h6-11,13H,12H2,1-5H3
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n/an/a 134n/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged BRD9 isoform 1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by Al...


J Med Chem 59: 4462-75 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50147620
PNG
(CHEMBL3769507)
Show SMILES CCn1cc(-c2cccc(c2)C(F)(F)F)c2sc(cc2c1=O)C(=N)NC1CCS(=O)(=O)CC1
Show InChI InChI=1S/C22H22F3N3O3S2/c1-2-28-12-17(13-4-3-5-14(10-13)22(23,24)25)19-16(21(28)29)11-18(32-19)20(26)27-15-6-8-33(30,31)9-7-15/h3-5,10-12,15H,2,6-9H2,1H3,(H2,26,27)
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n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to BRD9 (amino acids 120-240) (unknown origin) assessed as displacememnt of NanoLuc-tagged BRD9 from Halo-tagged histone H3.3 expres...


J Med Chem 59: 1425-39 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50183570
PNG
(CHEMBL3824289)
Show SMILES CCc1cc(cc(OC)c1CN(C)C)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C19H26N2O2/c1-7-14-9-15(10-18(23-6)17(14)12-20(3)4)16-8-13(2)19(22)21(5)11-16/h8-11H,7,12H2,1-6H3
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n/an/a 195n/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged BRD9 isoform 1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by Al...


J Med Chem 59: 4462-75 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50147621
PNG
(CHEMBL3769979)
Show SMILES COc1ccc(cc1OC)-c1cn(C)c(=O)c2cc(sc12)C(=O)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C22H25N3O6S2/c1-23-13-16(14-5-6-17(30-2)18(11-14)31-3)20-15(21(23)26)12-19(32-20)22(27)24-7-9-25(10-8-24)33(4,28)29/h5-6,11-13H,7-10H2,1-4H3
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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BRD9 in human HUT78 cells incubated for 45 mins by chemoproteomic competition binding assay


J Med Chem 59: 1425-39 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50183560
PNG
(CHEMBL3822909)
Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2ncccc12
Show InChI InChI=1S/C20H23N3O3/c1-22(2)11-16-17(25-4)9-13(10-18(16)26-5)15-12-23(3)20(24)19-14(15)7-6-8-21-19/h6-10,12H,11H2,1-5H3
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n/an/a 250n/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged BRD9 isoform 1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by Al...


J Med Chem 59: 4462-75 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50183569
PNG
(CHEMBL3823906)
Show SMILES COc1cc(c(OC)cc1CN(C)C)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C18H24N2O3/c1-12-7-13(11-20(4)18(12)21)15-9-16(22-5)14(10-19(2)3)8-17(15)23-6/h7-9,11H,10H2,1-6H3
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n/an/a 468n/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged BRD9 isoform 1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by Al...


J Med Chem 59: 4462-75 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50183572
PNG
(CHEMBL3822988)
Show SMILES COc1cc(ccc1CN(C)C)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C17H22N2O2/c1-12-8-15(11-19(4)17(12)20)13-6-7-14(10-18(2)3)16(9-13)21-5/h6-9,11H,10H2,1-5H3
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n/an/a 470n/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged BRD9 isoform 1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by Al...


J Med Chem 59: 4462-75 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50183451
PNG
(CHEMBL3823551)
Show SMILES COc1cc(c(OC)cc1CN(C)C)-c1cn(C)c(=O)c(C)c1C
Show InChI InChI=1S/C19H26N2O3/c1-12-13(2)19(22)21(5)11-16(12)15-9-17(23-6)14(10-20(3)4)8-18(15)24-7/h8-9,11H,10H2,1-7H3
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n/an/a 507n/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged BRD9 isoform 1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by Al...


J Med Chem 59: 4462-75 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50183571
PNG
(CHEMBL3822501)
Show SMILES COc1cc(cc(C)c1CN(C)C)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C18H24N2O2/c1-12-7-14(9-17(22-6)16(12)11-19(3)4)15-8-13(2)18(21)20(5)10-15/h7-10H,11H2,1-6H3
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n/an/a 656n/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged BRD9 isoform 1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by Al...


J Med Chem 59: 4462-75 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50178219
PNG
(CHEMBL3814752)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(-c5cnn(C)c5)c4c3)c2N1
Show InChI InChI=1/C22H22N6O/c1-13-9-20(29)25-18-6-4-5-16(22(18)24-13)14-7-8-19-17(10-14)21(26-28(19)3)15-11-23-27(2)12-15/h4-8,10-13,24H,9H2,1-3H3,(H,25,29)/t13-/s2
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n/an/a 730n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged BRD9 (unknown origin) incubated for 10 mins by TR-FRET assay


ACS Med Chem Lett 7: 531-6 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50183573
PNG
(CHEMBL3822843)
Show SMILES CN(C)Cc1ccc(cc1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C16H20N2O/c1-12-9-15(11-18(4)16(12)19)14-7-5-13(6-8-14)10-17(2)3/h5-9,11H,10H2,1-4H3
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n/an/a 1.15E+3n/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged BRD9 isoform 1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by Al...


J Med Chem 59: 4462-75 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50148289
PNG
(CHEMBL3770199)
Show SMILES CC(=O)c1cc(-c2ccccc2S(C)(=O)=O)c2cc(CNC(=O)OC(C)(C)C)ccn12
Show InChI InChI=1S/C23H26N2O5S/c1-15(26)19-13-18(17-8-6-7-9-21(17)31(5,28)29)20-12-16(10-11-25(19)20)14-24-22(27)30-23(2,3)4/h6-13H,14H2,1-5H3,(H,24,27)
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n/an/a 1.40E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of BRD9 (unknown origin) incubated for 30 mins in presence of biotinylated peptide by alpha screen assay


J Med Chem 59: 1410-24 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50148455
PNG
(CHEMBL3770716)
Show SMILES CC(C)n1cc(-c2cccc(c2)C(F)(F)F)c2sc(cc2c1=O)C(=N)NC1CCS(=O)(=O)CC1
Show InChI InChI=1S/C23H24F3N3O3S2/c1-13(2)29-12-18(14-4-3-5-15(10-14)23(24,25)26)20-17(22(29)30)11-19(33-20)21(27)28-16-6-8-34(31,32)9-7-16/h3-5,10-13,16H,6-9H2,1-2H3,(H2,27,28)
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n/an/a 3.16E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay


J Med Chem 59: 1425-39 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50148374
PNG
(CHEMBL3771218)
Show SMILES COc1ccc(cc1OC)-c1cn(C)c(=O)c2cc(sc12)C(=O)N1CCCCC1
Show InChI InChI=1S/C22H24N2O4S/c1-23-13-16(14-7-8-17(27-2)18(11-14)28-3)20-15(21(23)25)12-19(29-20)22(26)24-9-5-4-6-10-24/h7-8,11-13H,4-6,9-10H2,1-3H3
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n/an/a 3.98E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay


J Med Chem 59: 1425-39 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50148372
PNG
(CHEMBL3771308)
Show SMILES COc1ccc(cc1OC)-c1cn(C)c(=O)c2cc(sc12)C(=O)N(C)C
Show InChI InChI=1S/C19H20N2O4S/c1-20(2)19(23)16-9-12-17(26-16)13(10-21(3)18(12)22)11-6-7-14(24-4)15(8-11)25-5/h6-10H,1-5H3
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n/an/a 5.01E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay


J Med Chem 59: 1425-39 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50157607
PNG
(CHEMBL3753082)
Show SMILES CC(C)CS(=O)(=O)N[C@H]1CCC(=O)N([C@@H]1c1ccc(Cl)cc1)c1ccc2c(C)cc(=O)n(C)c2c1
Show InChI InChI=1/C26H30ClN3O4S/c1-16(2)15-35(33,34)28-22-11-12-24(31)30(26(22)18-5-7-19(27)8-6-18)20-9-10-21-17(3)13-25(32)29(4)23(21)14-20/h5-10,13-14,16,22,26,28H,11-12,15H2,1-4H3/t22-,26+/s2
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n/an/a 5.10E+3n/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human BRD9 isoform 1 co-expressed with H3 histone family 3A in HEK293 cells preincubated for 18 hrs followed by addition of nano-BRET f...


J Med Chem 59: 4462-75 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50157607
PNG
(CHEMBL3753082)
Show SMILES CC(C)CS(=O)(=O)N[C@H]1CCC(=O)N([C@@H]1c1ccc(Cl)cc1)c1ccc2c(C)cc(=O)n(C)c2c1
Show InChI InChI=1/C26H30ClN3O4S/c1-16(2)15-35(33,34)28-22-11-12-24(31)30(26(22)18-5-7-19(27)8-6-18)20-9-10-21-17(3)13-25(32)29(4)23(21)14-20/h5-10,13-14,16,22,26,28H,11-12,15H2,1-4H3/t22-,26+/s2
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n/an/a 6.20E+3n/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human BRD9 isoform 1 co-expressed with H4 histone in HEK293 cells preincubated for 18 hrs followed by addition of nano-BRET furimazine ...


J Med Chem 59: 4462-75 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50183566
PNG
(CHEMBL3822498)
Show SMILES Cc1cc(cn(C)c1=O)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C14H14N2O2/c1-9-7-12(8-16(2)14(9)18)10-3-5-11(6-4-10)13(15)17/h3-8H,1-2H3,(H2,15,17)
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n/an/a 9.34E+3n/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged BRD9 isoform 1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by Al...


J Med Chem 59: 4462-75 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50148281
PNG
(CHEMBL3770847)
Show SMILES CC(=O)c1cc(-c2ccccc2S(C)(=O)=O)c2ccccn12
Show InChI InChI=1S/C17H15NO3S/c1-12(19)16-11-14(15-8-5-6-10-18(15)16)13-7-3-4-9-17(13)22(2,20)21/h3-11H,1-2H3
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n/an/a 1.79E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of BRD9 (unknown origin) incubated for 30 mins in presence of biotinylated peptide by alpha screen assay


J Med Chem 59: 1410-24 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50148290
PNG
(CHEMBL3770277)
Show SMILES CC(=O)c1cc(-c2ccccc2S(C)(=O)=O)c2cc(Oc3ccccc3)ccn12
Show InChI InChI=1S/C23H19NO4S/c1-16(25)21-15-20(19-10-6-7-11-23(19)29(2,26)27)22-14-18(12-13-24(21)22)28-17-8-4-3-5-9-17/h3-15H,1-2H3
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n/an/a 1.99E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of BRD9 (unknown origin) incubated for 30 mins in presence of biotinylated peptide by alpha screen assay


J Med Chem 59: 1410-24 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50148276
PNG
(CHEMBL3770112)
Show SMILES CC(=O)c1cc(-c2ccccc2CO)c2ccccn12
Show InChI InChI=1S/C17H15NO2/c1-12(20)17-10-15(16-8-4-5-9-18(16)17)14-7-3-2-6-13(14)11-19/h2-10,19H,11H2,1H3
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n/an/a 2.37E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of BRD9 (unknown origin) incubated for 30 mins in presence of biotinylated peptide by alpha screen assay


J Med Chem 59: 1410-24 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50028142
PNG
(CHEMBL2177300)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/s2
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n/an/a<3.16E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human BRD9 by BROMOscan assay


J Med Chem 57: 8111-31 (2014)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50183565
PNG
(CHEMBL3824040)
Show SMILES CN(C)c1ncc2c(ccn(C)c2=O)n1
Show InChI InChI=1S/C10H12N4O/c1-13(2)10-11-6-7-8(12-10)4-5-14(3)9(7)15/h4-6H,1-3H3
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n/an/a 4.89E+4n/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged BRD9 isoform 1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by Al...


J Med Chem 59: 4462-75 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50148270
PNG
(CHEMBL3739699)
Show SMILES CCCOc1ccn2c(cc(-c3ccccc3S(C)(=O)=O)c2c1)C(C)=O
Show InChI InChI=1S/C20H21NO4S/c1-4-11-25-15-9-10-21-18(14(2)22)13-17(19(21)12-15)16-7-5-6-8-20(16)26(3,23)24/h5-10,12-13H,4,11H2,1-3H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of BRD9 (unknown origin) incubated for 30 mins in presence of biotinylated peptide by alpha screen assay


J Med Chem 59: 1410-24 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50148334
PNG
(CHEMBL3770214)
Show SMILES COc1ccn2c(cc(-c3ccccc3S(C)(=O)=O)c2c1)C(C)=O
Show InChI InChI=1S/C18H17NO4S/c1-12(20)16-11-15(17-10-13(23-2)8-9-19(16)17)14-6-4-5-7-18(14)24(3,21)22/h4-11H,1-3H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of BRD9 (unknown origin) incubated for 30 mins in presence of biotinylated peptide by alpha screen assay


J Med Chem 59: 1410-24 (2016)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50098250
PNG
(CHEMBL3590389)
Show SMILES Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCCCC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1/C27H35N5O2/c1-17-10-20(13-29-12-17)22-14-30-26(25-21(22)11-18(2)27(33)32-25)31-23-8-9-28-15-24(23)34-16-19-6-4-3-5-7-19/h10-14,19,23-24,28H,3-9,15-16H2,1-2H3,(H,30,31)(H,32,33)/t23-,24-/s2
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n/an/an/a 1.58E+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 BRD9 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
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50098305
PNG
(CHEMBL3590405)
Show SMILES Cc1cncc(c1)-c1ccc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1/C27H34N4O4S/c1-17-11-20(14-29-13-17)21-3-4-24(26-22(21)12-18(2)27(32)31-26)30-23-5-8-28-15-25(23)35-16-19-6-9-36(33,34)10-7-19/h3-4,11-14,19,23,25,28,30H,5-10,15-16H2,1-2H3,(H,31,32)/t23-,25-/s2
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n/an/an/a 1.26E+3n/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Binding affinity to BRD9 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
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