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Compile Data Set for Download or QSAR

Found 148 hits with Last Name = 'molnar' and Initial = 'j'   
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 7


(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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25n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to human partial length BRD7 (L125 to R254 residues) expressed in mammalian 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))
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))
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))
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))
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
Peregrin


(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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251n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to human partial length BRPF1 (E627 to G740 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))
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))
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))
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 7


(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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501n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to human partial length BRD7 (L125 to R254 residues) expressed in mammalian 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 4


(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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1.59E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to human partial length BRD4 (1) (N44 to E168 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 4


(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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3.98E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to human partial length BRD4 (1) (N44 to E168 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
Peregrin


(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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6.31E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to human partial length BRPF1 (E627 to G740 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 4


(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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7.94E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to human partial length BRD4 (1) (N44 to E168 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
Peregrin


(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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7.94E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to human partial length BRPF1 (E627 to G740 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
Peregrin


(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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<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 BRPF1 (E627 to G740 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))
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
Peregrin


(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 BRPF1 (E627 to G740 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
Peregrin


(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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<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 BRPF1 (E627 to G740 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
Peregrin


(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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<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 BRPF1 (E627 to G740 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
Peregrin


(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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<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 BRPF1 (E627 to G740 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
Peregrin


(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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<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 BRPF1 (E627 to G740 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
Peregrin


(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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<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 BRPF1 (E627 to G740 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 4


(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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<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 BRD4 (1) (N44 to E168 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
Peregrin


(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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<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 BRPF1 (E627 to G740 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 4


(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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<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 BRD4 (1) (N44 to E168 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
Peregrin


(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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<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 BRPF1 (E627 to G740 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 4


(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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<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 BRD4 (1) (N44 to E168 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 4


(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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<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 BRD4 (1) (N44 to E168 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 4


(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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<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 BRD4 (1) (N44 to E168 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 4


(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 BRD4 (1) (N44 to E168 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 4


(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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<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 BRD4 (1) (N44 to E168 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 4


(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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<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 BRD4 (1) (N44 to E168 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 4


(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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2.51E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to human partial length BRD4 (1) (N44 to E168 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
Peregrin


(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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<3.16E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to human partial length BRPF1 (E627 to G740 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 4


(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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<3.16E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to human partial length BRD4 (1) (N44 to E168 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))
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 10n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BRD4 bromodomain 1 (unknown origin) incubated in dark for 30 mins by TR-FRET assay


J Med Chem 59: 1425-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00256
BindingDB Entry DOI: 10.7270/Q2W099HJ
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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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01747
BindingDB Entry DOI: 10.7270/Q23B646M
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50603097
PNG
(CHEMBL5195288)
Show SMILES C[C@H]1C[C@@H](Nc2ncc(Cl)cn2)c2cc(ccc2N1C(C)=O)C(N)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01747
BindingDB Entry DOI: 10.7270/Q23B646M
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50540509
PNG
(CHEMBL4644816)
Show SMILES Cc1c(NCc2ccccc2N2CCN(CCCN)CC2)cnn(C)c1=O
Show InChI InChI=1S/C20H30N6O/c1-16-18(15-23-24(2)20(16)27)22-14-17-6-3-4-7-19(17)26-12-10-25(11-13-26)9-5-8-21/h3-4,6-7,15,22H,5,8-14,21H2,1-2H3
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n/an/a 63n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to BRD9 (unknown origin) N-terminal bromodomain by TR-FRET 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 4


(Homo sapiens (Human))
BDBM50603089
PNG
(CHEMBL5194720)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cn2)c2cc(ccc2N1C(C)=O)C(N)=O |r|
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Citation and Details

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