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Compile Data Set for Download or QSAR

Found 747 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 9'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 9


(Homo sapiens (Human))
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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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to human partial length BRD9 (R130 to V259 residues) expressed in bacterial expression system by BROMOscan assay


J Med Chem 63: 5816-5840 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00075
BindingDB Entry DOI: 10.7270/Q2MG7T12
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50540525
PNG
(CHEMBL4642341)
Show SMILES CCCCn1cc(-c2cccc(c2)C(F)(F)F)c2sc(cc2c1=O)C(=N)NC1CCS(=O)(=O)CC1
Show InChI InChI=1S/C24H26F3N3O3S2/c1-2-3-9-30-14-19(15-5-4-6-16(12-15)24(25,26)27)21-18(23(30)31)13-20(34-21)22(28)29-17-7-10-35(32,33)11-8-17/h4-6,12-14,17H,2-3,7-11H2,1H3,(H2,28,29)
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to human partial length BRD9 (R130 to V259 residues) expressed in bacterial expression system by BROMOscan assay


J Med Chem 63: 5816-5840 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00075
BindingDB Entry DOI: 10.7270/Q2MG7T12
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50540513
PNG
(CHEMBL4645418)
Show SMILES C\C=C\Cc1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O
Show InChI InChI=1S/C21H29N5O/c1-4-5-9-18-19(16-23-25(3)21(18)27)22-15-17-8-6-7-10-20(17)26-13-11-24(2)12-14-26/h4-8,10,16,22H,9,11-15H2,1-3H3/b5-4+
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40n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to human partial length BRD9 (R130 to V259 residues) expressed in bacterial expression system by BROMOscan assay


J Med Chem 63: 5816-5840 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00075
BindingDB Entry DOI: 10.7270/Q2MG7T12
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50572130
PNG
(CHEMBL4864027)
Show SMILES Cc1cc2c(cnc(NC3CCN(CC3)C(=O)C(F)(F)CN)c2[nH]c1=O)C1=CCOCC1 |t:29|
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40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human partial length BRD9 (R130 to V259 residues) expressed in bacterial expression system measured by BROMOscan assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00294
BindingDB Entry DOI: 10.7270/Q21V5JRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50540508
PNG
(CHEMBL4648548)
Show SMILES CN1CCN(CC1)c1ccccc1CNc1cnn(C)c(=O)c1C
Show InChI InChI=1S/C18H25N5O/c1-14-16(13-20-22(3)18(14)24)19-12-15-6-4-5-7-17(15)23-10-8-21(2)9-11-23/h4-7,13,19H,8-12H2,1-3H3
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40n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to human partial length BRD9 (R130 to V259 residues) expressed in bacterial expression system by BROMOscan assay


J Med Chem 63: 5816-5840 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00075
BindingDB Entry DOI: 10.7270/Q2MG7T12
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50540522
PNG
(CHEMBL4639574)
Show SMILES CCCCc1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O
Show InChI InChI=1S/C21H31N5O/c1-4-5-9-18-19(16-23-25(3)21(18)27)22-15-17-8-6-7-10-20(17)26-13-11-24(2)12-14-26/h6-8,10,16,22H,4-5,9,11-15H2,1-3H3
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63n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to human partial length BRD9 (R130 to V259 residues) expressed in bacterial expression system by BROMOscan assay


J Med Chem 63: 5816-5840 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00075
BindingDB Entry DOI: 10.7270/Q2MG7T12
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50540511
PNG
(CHEMBL4643740)
Show SMILES CCCCc1c(Nc2cccc3CN(C)CCc23)cnn(C)c1=O
Show InChI InChI=1S/C19H26N4O/c1-4-5-8-16-18(12-20-23(3)19(16)24)21-17-9-6-7-14-13-22(2)11-10-15(14)17/h6-7,9,12,21H,4-5,8,10-11,13H2,1-3H3
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79n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to human partial length BRD9 (R130 to V259 residues) expressed in bacterial expression system by BROMOscan assay


J Med Chem 63: 5816-5840 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00075
BindingDB Entry DOI: 10.7270/Q2MG7T12
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50540519
PNG
(CHEMBL4635895)
Show SMILES CCc1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O
Show InChI InChI=1S/C19H27N5O/c1-4-16-17(14-21-23(3)19(16)25)20-13-15-7-5-6-8-18(15)24-11-9-22(2)10-12-24/h5-8,14,20H,4,9-13H2,1-3H3
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79n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to human partial length BRD9 (R130 to V259 residues) expressed in bacterial expression system by BROMOscan assay


J Med Chem 63: 5816-5840 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00075
BindingDB Entry DOI: 10.7270/Q2MG7T12
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50540512
PNG
(CHEMBL4642886)
Show SMILES CN1CCN(CC1)c1ccccc1CNc1cnn(C)c(=O)c1CC=C
Show InChI InChI=1S/C20H27N5O/c1-4-7-17-18(15-22-24(3)20(17)26)21-14-16-8-5-6-9-19(16)25-12-10-23(2)11-13-25/h4-6,8-9,15,21H,1,7,10-14H2,2-3H3
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to human partial length BRD9 (R130 to V259 residues) expressed in bacterial expression system by BROMOscan assay


J Med Chem 63: 5816-5840 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00075
BindingDB Entry DOI: 10.7270/Q2MG7T12
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50540520
PNG
(CHEMBL4644517)
Show SMILES CCCc1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O
Show InChI InChI=1S/C20H29N5O/c1-4-7-17-18(15-22-24(3)20(17)26)21-14-16-8-5-6-9-19(16)25-12-10-23(2)11-13-25/h5-6,8-9,15,21H,4,7,10-14H2,1-3H3
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126n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to human partial length BRD9 (R130 to V259 residues) expressed in bacterial expression system by BROMOscan assay


J Med Chem 63: 5816-5840 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00075
BindingDB Entry DOI: 10.7270/Q2MG7T12
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50540523
PNG
(CHEMBL4634319)
Show SMILES CCCCCc1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O
Show InChI InChI=1S/C22H33N5O/c1-4-5-6-10-19-20(17-24-26(3)22(19)28)23-16-18-9-7-8-11-21(18)27-14-12-25(2)13-15-27/h7-9,11,17,23H,4-6,10,12-16H2,1-3H3
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158n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to human partial length BRD9 (R130 to V259 residues) expressed in bacterial expression system by BROMOscan assay


J Med Chem 63: 5816-5840 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00075
BindingDB Entry DOI: 10.7270/Q2MG7T12
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50540510
PNG
(CHEMBL4645137)
Show SMILES CN1CCc2c(C1)cccc2Nc1cnn(C)c(=O)c1C
Show InChI InChI=1S/C16H20N4O/c1-11-15(9-17-20(3)16(11)21)18-14-6-4-5-12-10-19(2)8-7-13(12)14/h4-6,9,18H,7-8,10H2,1-3H3
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158n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to human partial length BRD9 (R130 to V259 residues) expressed in bacterial expression system by BROMOscan assay


J Med Chem 63: 5816-5840 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00075
BindingDB Entry DOI: 10.7270/Q2MG7T12
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50540514
PNG
(CHEMBL4636297)
Show SMILES C\C=C/Cc1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O
Show InChI InChI=1S/C21H29N5O/c1-4-5-9-18-19(16-23-25(3)21(18)27)22-15-17-8-6-7-10-20(17)26-13-11-24(2)12-14-26/h4-8,10,16,22H,9,11-15H2,1-3H3/b5-4-
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251n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to human partial length BRD9 (R130 to V259 residues) expressed in bacterial expression system by BROMOscan assay


J Med Chem 63: 5816-5840 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00075
BindingDB Entry DOI: 10.7270/Q2MG7T12
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50540517
PNG
(CHEMBL4642556)
Show SMILES C[C@H](C=C)c1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O |r|
Show InChI InChI=1S/C21H29N5O/c1-5-16(2)20-18(15-23-25(4)21(20)27)22-14-17-8-6-7-9-19(17)26-12-10-24(3)11-13-26/h5-9,15-16,22H,1,10-14H2,2-4H3/t16-/m1/s1
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251n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to human partial length BRD9 (R130 to V259 residues) expressed in bacterial expression system by BROMOscan assay


J Med Chem 63: 5816-5840 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00075
BindingDB Entry DOI: 10.7270/Q2MG7T12
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50540518
PNG
(CHEMBL4646338)
Show SMILES C[C@@H](C=C)c1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O |r|
Show InChI InChI=1S/C21H29N5O/c1-5-16(2)20-18(15-23-25(4)21(20)27)22-14-17-8-6-7-9-19(17)26-12-10-24(3)11-13-26/h5-9,15-16,22H,1,10-14H2,2-4H3/t16-/m0/s1
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316n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to human partial length BRD9 (R130 to V259 residues) expressed in bacterial expression system by BROMOscan assay


J Med Chem 63: 5816-5840 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00075
BindingDB Entry DOI: 10.7270/Q2MG7T12
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50540521
PNG
(CHEMBL4632508)
Show SMILES CC(C)c1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O
Show InChI InChI=1S/C20H29N5O/c1-15(2)19-17(14-22-24(4)20(19)26)21-13-16-7-5-6-8-18(16)25-11-9-23(3)10-12-25/h5-8,14-15,21H,9-13H2,1-4H3
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316n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to human partial length BRD9 (R130 to V259 residues) expressed in bacterial expression system by BROMOscan assay


J Med Chem 63: 5816-5840 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00075
BindingDB Entry DOI: 10.7270/Q2MG7T12
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50540516
PNG
(CHEMBL4635826)
Show SMILES CN1CCN(CC1)c1ccccc1CNc1cnn(C)c(=O)c1CCC=C
Show InChI InChI=1S/C21H29N5O/c1-4-5-9-18-19(16-23-25(3)21(18)27)22-15-17-8-6-7-10-20(17)26-13-11-24(2)12-14-26/h4,6-8,10,16,22H,1,5,9,11-15H2,2-3H3
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398n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to human partial length BRD9 (R130 to V259 residues) expressed in bacterial expression system by BROMOscan assay


J Med Chem 63: 5816-5840 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00075
BindingDB Entry DOI: 10.7270/Q2MG7T12
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50260093
PNG
(CHEMBL4078100)
Show SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCN2CCN(C)C(=O)[C@H]2C)cc1 |r|
Show InChI InChI=1S/C25H33N7O3/c1-18-24(33)29(2)14-15-30(18)16-17-35-21-6-4-19(5-7-21)20-10-12-31(13-11-20)23-9-8-22-26-27-25(34-3)32(22)28-23/h4-9,18,20H,10-17H2,1-3H3/t18-/m1/s1
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2.51E+3n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human BRD9 expressed in bacterial expression system


J Med Chem 59: 7801-17 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00070
BindingDB Entry DOI: 10.7270/Q2697721
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50540515
PNG
(CHEMBL4635892)
Show SMILES CC\C=C\c1c(NCc2ccccc2N2CCN(C)CC2)cnn(C)c1=O
Show InChI InChI=1S/C21H29N5O/c1-4-5-9-18-19(16-23-25(3)21(18)27)22-15-17-8-6-7-10-20(17)26-13-11-24(2)12-14-26/h5-10,16,22H,4,11-15H2,1-3H3/b9-5+
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<1.00E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to human partial length BRD9 (R130 to V259 residues) expressed in bacterial expression system by BROMOscan assay


J Med Chem 63: 5816-5840 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00075
BindingDB Entry DOI: 10.7270/Q2MG7T12
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9 [134-239]


(Homo sapiens (Human))
BDBM321438
PNG
(3-[6-[(E)-but-2-enyl]-2-methyl-7-oxo-1H-pyrrolo[2,...)
Show SMILES COc1ccc(cc1-c1cn(C\C=C\C)c(=O)c2[nH]c(C)cc12)C(=O)NCc1cncnc1
Show InChI InChI=1S/C25H25N5O3/c1-4-5-8-30-14-21(20-9-16(2)29-23(20)25(30)32)19-10-18(6-7-22(19)33-3)24(31)28-13-17-11-26-15-27-12-17/h4-7,9-12,14-15,29H,8,13H2,1-3H3,(H,28,31)/b5-4+
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US Patent
n/an/a 3n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD9134-239 was cloned, expressed, and purified to homogeneity. BRD9 binding and inhibition was assessed by monitoring the en...


US Patent US10183009 (2019)


BindingDB Entry DOI: 10.7270/Q2125VRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9 [134-239]


(Homo sapiens (Human))
BDBM321411
PNG
(6-[(E)-but-2-enyl]-4-[3-methoxy-4-(morpholine-4-ca...)
Show SMILES COc1cc(ccc1C(=O)N1CCOCC1)-c1cn(C\C=C\C)c(=O)c2[nH]c(C)cc12
Show InChI InChI=1S/C24H27N3O4/c1-4-5-8-27-15-20(19-13-16(2)25-22(19)24(27)29)17-6-7-18(21(14-17)30-3)23(28)26-9-11-31-12-10-26/h4-7,13-15,25H,8-12H2,1-3H3/b5-4+
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n/an/a 3n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD9134-239 was cloned, expressed, and purified to homogeneity. BRD9 binding and inhibition was assessed by monitoring the en...


US Patent US10183009 (2019)


BindingDB Entry DOI: 10.7270/Q2125VRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9 [134-239]


(Homo sapiens (Human))
BDBM321429
PNG
((E)-1-(4-(6-(but-2-en-1-yl)-2-methyl-7-oxo-6,7-dih...)
Show SMILES C\C=C\Cn1cc(-c2ccc(C(=O)N3CCC(CC3)C(N)=O)c(Cl)c2)c2cc(C)[nH]c2c1=O
Show InChI InChI=1S/C25H27ClN4O3/c1-3-4-9-30-14-20(19-12-15(2)28-22(19)25(30)33)17-5-6-18(21(26)13-17)24(32)29-10-7-16(8-11-29)23(27)31/h3-6,12-14,16,28H,7-11H2,1-2H3,(H2,27,31)/b4-3+
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD9134-239 was cloned, expressed, and purified to homogeneity. BRD9 binding and inhibition was assessed by monitoring the en...


US Patent US10183009 (2019)


BindingDB Entry DOI: 10.7270/Q2125VRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9 [134-239]


(Homo sapiens (Human))
BDBM321430
PNG
(6-[(E)-but-2-enyl]-4-[3-isopropoxy-4-(morpholine-4...)
Show SMILES C\C=C\Cn1cc(-c2ccc(C(=O)N3CCOCC3)c(OC(C)C)c2)c2cc(C)[nH]c2c1=O
Show InChI InChI=1S/C26H31N3O4/c1-5-6-9-29-16-22(21-14-18(4)27-24(21)26(29)31)19-7-8-20(23(15-19)33-17(2)3)25(30)28-10-12-32-13-11-28/h5-8,14-17,27H,9-13H2,1-4H3/b6-5+
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD9134-239 was cloned, expressed, and purified to homogeneity. BRD9 binding and inhibition was assessed by monitoring the en...


US Patent US10183009 (2019)


BindingDB Entry DOI: 10.7270/Q2125VRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9 [134-239]


(Homo sapiens (Human))
BDBM321432
PNG
((E)-6-(but-2-en-1-yl)-4-(3-chloro-4-(piperazine-1-...)
Show SMILES C\C=C\Cn1cc(-c2ccc(C(=O)N3CCNCC3)c(Cl)c2)c2cc(C)[nH]c2c1=O
Show InChI InChI=1S/C23H25ClN4O2/c1-3-4-9-28-14-19(18-12-15(2)26-21(18)23(28)30)16-5-6-17(20(24)13-16)22(29)27-10-7-25-8-11-27/h3-6,12-14,25-26H,7-11H2,1-2H3/b4-3+
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD9134-239 was cloned, expressed, and purified to homogeneity. BRD9 binding and inhibition was assessed by monitoring the en...


US Patent US10183009 (2019)


BindingDB Entry DOI: 10.7270/Q2125VRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9 [134-239]


(Homo sapiens (Human))
BDBM321424
PNG
(6-[(E)-but-2-enyl]-4-[2,5-dimethoxy-4-(morpholine-...)
Show SMILES COc1cc(c(OC)cc1C(=O)N1CCOCC1)-c1cn(C\C=C\C)c(=O)c2[nH]c(C)cc12
Show InChI InChI=1S/C25H29N3O5/c1-5-6-7-28-15-20(18-12-16(2)26-23(18)25(28)30)17-13-22(32-4)19(14-21(17)31-3)24(29)27-8-10-33-11-9-27/h5-6,12-15,26H,7-11H2,1-4H3/b6-5+
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD9134-239 was cloned, expressed, and purified to homogeneity. BRD9 binding and inhibition was assessed by monitoring the en...


US Patent US10183009 (2019)


BindingDB Entry DOI: 10.7270/Q2125VRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9 [134-239]


(Homo sapiens (Human))
BDBM321412
PNG
(6-[(E)-but-2-enyl]-4-[3-chloro-4-(morpholine-4-car...)
Show SMILES C\C=C\Cn1cc(-c2ccc(C(=O)N3CCOCC3)c(Cl)c2)c2cc(C)[nH]c2c1=O
Show InChI InChI=1S/C23H24ClN3O3/c1-3-4-7-27-14-19(18-12-15(2)25-21(18)23(27)29)16-5-6-17(20(24)13-16)22(28)26-8-10-30-11-9-26/h3-6,12-14,25H,7-11H2,1-2H3/b4-3+
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD9134-239 was cloned, expressed, and purified to homogeneity. BRD9 binding and inhibition was assessed by monitoring the en...


US Patent US10183009 (2019)


BindingDB Entry DOI: 10.7270/Q2125VRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9 [134-239]


(Homo sapiens (Human))
BDBM321433
PNG
((E)-4-(4-(3-(3-amino-1H-pyrazol-1-yl)azetidine-1-c...)
Show SMILES C\C=C\Cn1cc(-c2ccc(C(=O)N3CC(C3)n3ccc(N)n3)c(Cl)c2)c2cc(C)[nH]c2c1=O
Show InChI InChI=1S/C25H25ClN6O2/c1-3-4-8-30-14-20(19-10-15(2)28-23(19)25(30)34)16-5-6-18(21(26)11-16)24(33)31-12-17(13-31)32-9-7-22(27)29-32/h3-7,9-11,14,17,28H,8,12-13H2,1-2H3,(H2,27,29)/b4-3+
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD9134-239 was cloned, expressed, and purified to homogeneity. BRD9 binding and inhibition was assessed by monitoring the en...


US Patent US10183009 (2019)


BindingDB Entry DOI: 10.7270/Q2125VRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM321424
PNG
(6-[(E)-but-2-enyl]-4-[2,5-dimethoxy-4-(morpholine-...)
Show SMILES COc1cc(c(OC)cc1C(=O)N1CCOCC1)-c1cn(C\C=C\C)c(=O)c2[nH]c(C)cc12
Show InChI InChI=1S/C25H29N3O5/c1-5-6-7-28-15-20(18-12-16(2)26-23(18)25(28)30)17-13-22(32-4)19(14-21(17)31-3)24(29)27-8-10-33-11-9-27/h5-6,12-15,26H,7-11H2,1-4H3/b6-5+
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Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9 [134-239]


(Homo sapiens (Human))
BDBM321431
PNG
(6-[(E)-but-2-enyl]-4-[3-(cyclopropylmethoxy)-4-(mo...)
Show SMILES C\C=C\CN1C=C2NC(C)C=C2C(=C1)c1ccc(C(=O)N2CCOCC2)c(OCC2CC2)c1 |c:10,13,t:5|
Show InChI InChI=1S/C27H33N3O3/c1-3-4-9-29-16-24(23-14-19(2)28-25(23)17-29)21-7-8-22(26(15-21)33-18-20-5-6-20)27(31)30-10-12-32-13-11-30/h3-4,7-8,14-17,19-20,28H,5-6,9-13,18H2,1-2H3/b4-3+
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD9134-239 was cloned, expressed, and purified to homogeneity. BRD9 binding and inhibition was assessed by monitoring the en...


US Patent US10183009 (2019)


BindingDB Entry DOI: 10.7270/Q2125VRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM321411
PNG
(6-[(E)-but-2-enyl]-4-[3-methoxy-4-(morpholine-4-ca...)
Show SMILES COc1cc(ccc1C(=O)N1CCOCC1)-c1cn(C\C=C\C)c(=O)c2[nH]c(C)cc12
Show InChI InChI=1S/C24H27N3O4/c1-4-5-8-27-15-20(19-13-16(2)25-22(19)24(27)29)17-6-7-18(21(14-17)30-3)23(28)26-9-11-31-12-10-26/h4-7,13-15,25H,8-12H2,1-3H3/b5-4+
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Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9 [134-239]


(Homo sapiens (Human))
BDBM321422
PNG
(5-[6-[(E)-but-2-enyl]-2-methyl-7-oxo-1H-pyrrolo[2,...)
Show SMILES C\C=C\Cn1cc(-c2ccc(C(=O)N3CCOCC3)c(c2)C#N)c2cc(C)[nH]c2c1=O
Show InChI InChI=1S/C24H24N4O3/c1-3-4-7-28-15-21(20-12-16(2)26-22(20)24(28)30)17-5-6-19(18(13-17)14-25)23(29)27-8-10-31-11-9-27/h3-6,12-13,15,26H,7-11H2,1-2H3/b4-3+
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD9134-239 was cloned, expressed, and purified to homogeneity. BRD9 binding and inhibition was assessed by monitoring the en...


US Patent US10183009 (2019)


BindingDB Entry DOI: 10.7270/Q2125VRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9 [134-239]


(Homo sapiens (Human))
BDBM321437
PNG
((E)-6-(but-2-en-1-yl)-4-(4-(2-hydroxypropan-2-yl)-...)
Show SMILES COc1cc(c(OC)cc1-c1cn(C\C=C\C)c(=O)c2[nH]c(C)cc12)C(C)(C)O
Show InChI InChI=1S/C23H28N2O4/c1-7-8-9-25-13-17(16-10-14(2)24-21(16)22(25)26)15-11-20(29-6)18(23(3,4)27)12-19(15)28-5/h7-8,10-13,24,27H,9H2,1-6H3/b8-7+
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD9134-239 was cloned, expressed, and purified to homogeneity. BRD9 binding and inhibition was assessed by monitoring the en...


US Patent US10183009 (2019)


BindingDB Entry DOI: 10.7270/Q2125VRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9 [134-239]


(Homo sapiens (Human))
BDBM321425
PNG
(3-[6-[(E)-but-2-enyl]-2-methyl-7-oxo-1H-pyrrolo[2,...)
Show SMILES COc1ccc(cc1-c1cn(C\C=C\C)c(=O)c2[nH]c(C)cc12)C(=O)NCc1cnccn1
Show InChI InChI=1S/C25H25N5O3/c1-4-5-10-30-15-21(20-11-16(2)29-23(20)25(30)32)19-12-17(6-7-22(19)33-3)24(31)28-14-18-13-26-8-9-27-18/h4-9,11-13,15,29H,10,14H2,1-3H3,(H,28,31)/b5-4+
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD9134-239 was cloned, expressed, and purified to homogeneity. BRD9 binding and inhibition was assessed by monitoring the en...


US Patent US10183009 (2019)


BindingDB Entry DOI: 10.7270/Q2125VRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM321412
PNG
(6-[(E)-but-2-enyl]-4-[3-chloro-4-(morpholine-4-car...)
Show SMILES C\C=C\Cn1cc(-c2ccc(C(=O)N3CCOCC3)c(Cl)c2)c2cc(C)[nH]c2c1=O
Show InChI InChI=1S/C23H24ClN3O3/c1-3-4-7-27-14-19(18-12-15(2)25-21(18)23(27)29)16-5-6-17(20(24)13-16)22(28)26-8-10-30-11-9-26/h3-6,12-14,25H,7-11H2,1-2H3/b4-3+
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Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM321422
PNG
(5-[6-[(E)-but-2-enyl]-2-methyl-7-oxo-1H-pyrrolo[2,...)
Show SMILES C\C=C\Cn1cc(-c2ccc(C(=O)N3CCOCC3)c(c2)C#N)c2cc(C)[nH]c2c1=O
Show InChI InChI=1S/C24H24N4O3/c1-3-4-7-28-15-21(20-12-16(2)26-22(20)24(28)30)17-5-6-19(18(13-17)14-25)23(29)27-8-10-31-11-9-27/h3-6,12-13,15,26H,7-11H2,1-2H3/b4-3+
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Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM321437
PNG
((E)-6-(but-2-en-1-yl)-4-(4-(2-hydroxypropan-2-yl)-...)
Show SMILES COc1cc(c(OC)cc1-c1cn(C\C=C\C)c(=O)c2[nH]c(C)cc12)C(C)(C)O
Show InChI InChI=1S/C23H28N2O4/c1-7-8-9-25-13-17(16-10-14(2)24-21(16)22(25)26)15-11-20(29-6)18(23(3,4)27)12-19(15)28-5/h7-8,10-13,24,27H,9H2,1-6H3/b8-7+
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More data for this
Ligand-Target Pair
Bromodomain-containing protein 9 [134-239]


(Homo sapiens (Human))
BDBM321428
PNG
(1-[4-[6-[(E)-but-2-enyl]-2-methyl-7-oxo-1H-pyrrolo...)
Show SMILES C\C=C\Cn1cc(-c2ccc(C(=O)N3CCC(CC3)C(O)=O)c(Cl)c2)c2cc(C)[nH]c2c1=O
Show InChI InChI=1S/C25H26ClN3O4/c1-3-4-9-29-14-20(19-12-15(2)27-22(19)24(29)31)17-5-6-18(21(26)13-17)23(30)28-10-7-16(8-11-28)25(32)33/h3-6,12-14,16,27H,7-11H2,1-2H3,(H,32,33)/b4-3+
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD9134-239 was cloned, expressed, and purified to homogeneity. BRD9 binding and inhibition was assessed by monitoring the en...


US Patent US10183009 (2019)


BindingDB Entry DOI: 10.7270/Q2125VRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
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)


Article DOI: 10.1021/acs.jmedchem.5b01865
BindingDB Entry DOI: 10.7270/Q27H1MJZ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM321415
PNG
(6-[(E)-but-2-enyl]-2-methyl-4-[3-methyl-4-(morphol...)
Show SMILES C\C=C\Cn1cc(-c2ccc(C(=O)N3CCOCC3)c(C)c2)c2cc(C)[nH]c2c1=O
Show InChI InChI=1S/C24H27N3O3/c1-4-5-8-27-15-21(20-14-17(3)25-22(20)24(27)29)18-6-7-19(16(2)13-18)23(28)26-9-11-30-12-10-26/h4-7,13-15,25H,8-12H2,1-3H3/b5-4+
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Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9 [134-239]


(Homo sapiens (Human))
BDBM321418
PNG
(6-allyl-4-[2,5-dimethoxy-4-(morpholine-4-carbonyl)...)
Show SMILES COc1cc(c(OC)cc1C(=O)N1CCOCC1)-c1cn(CC=C)c(=O)c2[nH]c(C)cc12
Show InChI InChI=1S/C24H27N3O5/c1-5-6-27-14-19(17-11-15(2)25-22(17)24(27)29)16-12-21(31-4)18(13-20(16)30-3)23(28)26-7-9-32-10-8-26/h5,11-14,25H,1,6-10H2,2-4H3
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD9134-239 was cloned, expressed, and purified to homogeneity. BRD9 binding and inhibition was assessed by monitoring the en...


US Patent US10183009 (2019)


BindingDB Entry DOI: 10.7270/Q2125VRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9 [134-239]


(Homo sapiens (Human))
BDBM321436
PNG
(4-[4-[3-(3-aminopyrazol-1-yl)azetidine-1-carbonyl]...)
Show SMILES C\C=C\Cn1cc(-c2ccc(cc2)C(=O)N2CC(C2)n2ccc(N)n2)c2cc(C)[nH]c2c1=O
Show InChI InChI=1S/C25H26N6O2/c1-3-4-10-29-15-21(20-12-16(2)27-23(20)25(29)33)17-5-7-18(8-6-17)24(32)30-13-19(14-30)31-11-9-22(26)28-31/h3-9,11-12,15,19,27H,10,13-14H2,1-2H3,(H2,26,28)/b4-3+
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD9134-239 was cloned, expressed, and purified to homogeneity. BRD9 binding and inhibition was assessed by monitoring the en...


US Patent US10183009 (2019)


BindingDB Entry DOI: 10.7270/Q2125VRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9 [134-239]


(Homo sapiens (Human))
BDBM321414
PNG
(6-[(E)-but-2-enyl]-4-[3-chloro-4-(4-methylpiperazi...)
Show SMILES C\C=C\Cn1cc(-c2ccc(C(=O)N3CCN(C)CC3)c(Cl)c2)c2cc(C)[nH]c2c1=O
Show InChI InChI=1S/C24H27ClN4O2/c1-4-5-8-29-15-20(19-13-16(2)26-22(19)24(29)31)17-6-7-18(21(25)14-17)23(30)28-11-9-27(3)10-12-28/h4-7,13-15,26H,8-12H2,1-3H3/b5-4+
PDB

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n/an/a 9n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD9134-239 was cloned, expressed, and purified to homogeneity. BRD9 binding and inhibition was assessed by monitoring the en...


US Patent US10183009 (2019)


BindingDB Entry DOI: 10.7270/Q2125VRQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9 [133-239]


(Homo sapiens (Human))
BDBM565364
PNG
(US11414416, Compound D131 | US11560381, Compound D...)
Show SMILES COc1cc(cc(OC)c1CN1CCC(CC1)OC1CCN(CC1)C(=O)CCOCCOc1ccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c2c1)-c1cn(C)c(=O)c2cnccc12
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n/an/a<10n/an/an/an/an/an/a


TBA

Assay Description
Procedure: His-Flag-BRD9 (P133-K239; Swiss Prot Q9H8M2; SEQ ID NO:1 mgsshhhhhhenlyfq/gdykddddkgslevlfqg/PAENESTPIQQLLEHFLRQLQRKDPHGFFAFPVTDAIAPGYSMII...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6H41
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9 [133-239]


(Homo sapiens (Human))
BDBM565365
PNG
(US11414416, Compound D132 | US11560381, Compound D...)
Show SMILES COc1cc(cc(OC)c1CN(C)CCc1cn(CCCCCOc2ccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c3c2)nn1)-c1cn(C)c(=O)c2cnccc12
PDB

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n/an/a<10n/an/an/an/an/an/a


TBA

Assay Description
Procedure: His-Flag-BRD9 (P133-K239; Swiss Prot Q9H8M2; SEQ ID NO:1 mgsshhhhhhenlyfq/gdykddddkgslevlfqg/PAENESTPIQQLLEHFLRQLQRKDPHGFFAFPVTDAIAPGYSMII...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6H41
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9 [133-239]


(Homo sapiens (Human))
BDBM565366
PNG
(US11414416, Compound D133 | US11560381, Compound D...)
Show SMILES COc1cc(cc(OC)c1CN(C)CCc1cn(CCOCCOc2ccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c3c2)nn1)-c1cn(C)c(=O)c2cnccc12
PDB

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n/an/a<10n/an/an/an/an/an/a


TBA

Assay Description
Procedure: His-Flag-BRD9 (P133-K239; Swiss Prot Q9H8M2; SEQ ID NO:1 mgsshhhhhhenlyfq/gdykddddkgslevlfqg/PAENESTPIQQLLEHFLRQLQRKDPHGFFAFPVTDAIAPGYSMII...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6H41
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9 [133-239]


(Homo sapiens (Human))
BDBM565369
PNG
(US11414416, Compound D136 | US11560381, Compound D...)
Show SMILES COc1cc(cc(OC)c1CN1CC(C1)OCc1cn(CCCOc2ccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c3c2)nn1)-c1cn(C)c(=O)c2cnccc12
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TBA

Assay Description
Procedure: His-Flag-BRD9 (P133-K239; Swiss Prot Q9H8M2; SEQ ID NO:1 mgsshhhhhhenlyfq/gdykddddkgslevlfqg/PAENESTPIQQLLEHFLRQLQRKDPHGFFAFPVTDAIAPGYSMII...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6H41
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9 [133-239]


(Homo sapiens (Human))
BDBM565370
PNG
(US11414416, Compound D137 | US11560381, Compound D...)
Show SMILES COc1cc(cc(OC)c1CN1CC(C1)OCc1cn(CCCCOc2ccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c3c2)nn1)-c1cn(C)c(=O)c2cnccc12
PDB

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TBA

Assay Description
Procedure: His-Flag-BRD9 (P133-K239; Swiss Prot Q9H8M2; SEQ ID NO:1 mgsshhhhhhenlyfq/gdykddddkgslevlfqg/PAENESTPIQQLLEHFLRQLQRKDPHGFFAFPVTDAIAPGYSMII...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6H41
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9 [133-239]


(Homo sapiens (Human))
BDBM565371
PNG
(US11414416, Compound D138 | US11560381, Compound D...)
Show SMILES COc1cc(cc(OC)c1CN1CC(C1)OCc1cn(CCCCCOc2ccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c3c2)nn1)-c1cn(C)c(=O)c2cnccc12
PDB

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n/an/a<10n/an/an/an/an/an/a


TBA

Assay Description
Procedure: His-Flag-BRD9 (P133-K239; Swiss Prot Q9H8M2; SEQ ID NO:1 mgsshhhhhhenlyfq/gdykddddkgslevlfqg/PAENESTPIQQLLEHFLRQLQRKDPHGFFAFPVTDAIAPGYSMII...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6H41
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9 [133-239]


(Homo sapiens (Human))
BDBM565372
PNG
(US11414416, Compound D139 | US11560381, Compound D...)
Show SMILES COc1cc(cc(OC)c1CN1CC(C1)OCc1cn(CCOCCOc2ccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c3c2)nn1)-c1cn(C)c(=O)c2cnccc12
PDB

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TBA

Assay Description
Procedure: His-Flag-BRD9 (P133-K239; Swiss Prot Q9H8M2; SEQ ID NO:1 mgsshhhhhhenlyfq/gdykddddkgslevlfqg/PAENESTPIQQLLEHFLRQLQRKDPHGFFAFPVTDAIAPGYSMII...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6H41
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9 [133-239]


(Homo sapiens (Human))
BDBM565373
PNG
(US11414416, Compound D140 | US11560381, Compound D...)
Show SMILES COc1cc(cc(OC)c1CN1CCC(C1)OCc1cn(CCOc2ccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c3c2)nn1)-c1cn(C)c(=O)c2cnccc12
PDB

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n/an/a<10n/an/an/an/an/an/a


TBA

Assay Description
Procedure: His-Flag-BRD9 (P133-K239; Swiss Prot Q9H8M2; SEQ ID NO:1 mgsshhhhhhenlyfq/gdykddddkgslevlfqg/PAENESTPIQQLLEHFLRQLQRKDPHGFFAFPVTDAIAPGYSMII...


Citation and Details

BindingDB Entry DOI: 10.7270/Q27W6H41
More data for this
Ligand-Target Pair
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