Found 80 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Peregrin
(Homo sapiens (Human)) | BDBM50249810
(CHEMBL4102050)Show SMILES Cc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(C)c1=O Show InChI InChI=1S/C18H15N3O3S/c1-12-9-14-10-15(5-8-17(14)21(2)18(12)22)20-25(23,24)16-6-3-13(11-19)4-7-16/h3-10,20H,1-2H3 | PDB
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| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRPF1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Peregrin
(Homo sapiens (Human)) | BDBM50249785
(CHEMBL4069814)Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1 Show InChI InChI=1S/C18H18N2O4S/c1-12-10-13-11-14(8-9-15(13)20(2)18(12)21)19-25(22,23)17-7-5-4-6-16(17)24-3/h4-11,19H,1-3H3 | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRPF1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Peregrin
(Homo sapiens (Human)) | BDBM50267002
(CHEMBL4097011)Show SMILES CCn1c2ccc(NS(=O)(=O)c3ccc(cc3)C#N)cc2cc(C)c1=O Show InChI InChI=1S/C19H17N3O3S/c1-3-22-18-9-6-16(11-15(18)10-13(2)19(22)23)21-26(24,25)17-7-4-14(12-20)5-8-17/h4-11,21H,3H2,1-2H3 | PDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRPF1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Peregrin
(Homo sapiens (Human)) | BDBM50249770
(CHEMBL4076056)Show InChI InChI=1S/C17H13N3O3S/c1-20-16-8-5-14(10-13(16)4-9-17(20)21)19-24(22,23)15-6-2-12(11-18)3-7-15/h2-10,19H,1H3 | PDB
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| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRPF1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Peregrin
(Homo sapiens (Human)) | BDBM50267005
(CHEMBL4099455)Show SMILES Cn1c2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2ccc1=O Show InChI InChI=1S/C16H12Cl2N2O3S/c1-20-15-6-3-11(8-10(15)2-7-16(20)21)19-24(22,23)12-4-5-13(17)14(18)9-12/h2-9,19H,1H3 | PDB
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| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRPF1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 1
(Homo sapiens (Human)) | BDBM50249810
(CHEMBL4102050)Show SMILES Cc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(C)c1=O Show InChI InChI=1S/C18H15N3O3S/c1-12-9-14-10-15(5-8-17(14)21(2)18(12)22)20-25(23,24)16-6-3-13(11-19)4-7-16/h3-10,20H,1-2H3 | PDB
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| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRPF2-BRD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Peregrin
(Homo sapiens (Human)) | BDBM50249816
(CHEMBL4103432)Show InChI InChI=1S/C17H13N3O3S/c1-20-16-7-6-14(10-13(16)5-8-17(20)21)19-24(22,23)15-4-2-3-12(9-15)11-18/h2-10,19H,1H3 | PDB
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| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRPF1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Peregrin
(Homo sapiens (Human)) | BDBM50267004
(CHEMBL4096095)Show SMILES COc1cc2n(C)c(=O)cc(C)c2cc1NS(=O)(=O)c1ccc(cc1)C#N Show InChI InChI=1S/C19H17N3O4S/c1-12-8-19(23)22(2)17-10-18(26-3)16(9-15(12)17)21-27(24,25)14-6-4-13(11-20)5-7-14/h4-10,21H,1-3H3 | PDB
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRPF1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Peregrin
(Homo sapiens (Human)) | BDBM50267003
(CHEMBL4081438)Show SMILES Cn1c2ccc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2ccc1=O Show InChI InChI=1S/C17H12ClN3O3S/c1-21-16-6-4-13(8-11(16)3-7-17(21)22)20-25(23,24)14-5-2-12(10-19)15(18)9-14/h2-9,20H,1H3 | PDB
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| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRPF1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Peregrin
(Homo sapiens (Human)) | BDBM50249772
(CHEMBL4067436)Show InChI InChI=1S/C16H14N2O3S/c1-18-15-9-8-13(11-12(15)7-10-16(18)19)17-22(20,21)14-5-3-2-4-6-14/h2-11,17H,1H3 | PDB
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| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRPF1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 7
(Homo sapiens (Human)) | BDBM50249810
(CHEMBL4102050)Show SMILES Cc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(C)c1=O Show InChI InChI=1S/C18H15N3O3S/c1-12-9-14-10-15(5-8-17(14)21(2)18(12)22)20-25(23,24)16-6-3-13(11-19)4-7-16/h3-10,20H,1-2H3 | PDB
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| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRD7 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 1
(Homo sapiens (Human)) | BDBM50249785
(CHEMBL4069814)Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1 Show InChI InChI=1S/C18H18N2O4S/c1-12-10-13-11-14(8-9-15(13)20(2)18(12)21)19-25(22,23)17-7-5-4-6-16(17)24-3/h4-11,19H,1-3H3 | PDB
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| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRPF2-BRD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Peregrin
(Homo sapiens (Human)) | BDBM50249810
(CHEMBL4102050)Show SMILES Cc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(C)c1=O Show InChI InChI=1S/C18H15N3O3S/c1-12-9-14-10-15(5-8-17(14)21(2)18(12)22)20-25(23,24)16-6-3-13(11-19)4-7-16/h3-10,20H,1-2H3 | PDB
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| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human His tagged BRPF1 incubated for 30 mins followed by addition of biotinylated peptide and further incubation for 30 mins measured b... |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Peregrin
(Homo sapiens (Human)) | BDBM50249809
(CHEMBL4080511)Show SMILES CCc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(C)c1=O Show InChI InChI=1S/C19H17N3O3S/c1-3-14-10-15-11-16(6-9-18(15)22(2)19(14)23)21-26(24,25)17-7-4-13(12-20)5-8-17/h4-11,21H,3H2,1-2H3 | PDB
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| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRPF1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Peregrin
(Homo sapiens (Human)) | BDBM50267006
(CHEMBL4079041)Show InChI InChI=1S/C11H12N2O/c1-7-5-8-6-9(12)3-4-10(8)13(2)11(7)14/h3-6H,12H2,1-2H3 | PDB
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| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRPF1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 1
(Homo sapiens (Human)) | BDBM50249770
(CHEMBL4076056)Show InChI InChI=1S/C17H13N3O3S/c1-20-16-8-5-14(10-13(16)4-9-17(20)21)19-24(22,23)15-6-2-12(11-18)3-7-15/h2-10,19H,1H3 | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRPF2-BRD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Peregrin
(Homo sapiens (Human)) | BDBM50267008
(CHEMBL4078047)Show SMILES COc1ccccc1C(=O)Nc1cc2cc(C)c(=O)n(C)c2cc1N1CCCC1 Show InChI InChI=1S/C23H25N3O3/c1-15-12-16-13-18(24-22(27)17-8-4-5-9-21(17)29-3)20(26-10-6-7-11-26)14-19(16)25(2)23(15)28/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,24,27) | PDB
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| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRPF1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 9
(Homo sapiens (Human)) | BDBM50249772
(CHEMBL4067436)Show InChI InChI=1S/C16H14N2O3S/c1-18-15-9-8-13(11-12(15)7-10-16(18)19)17-22(20,21)14-5-3-2-4-6-14/h2-11,17H,1H3 | PDB
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| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRD9 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 1
(Homo sapiens (Human)) | BDBM50267005
(CHEMBL4099455)Show SMILES Cn1c2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2ccc1=O Show InChI InChI=1S/C16H12Cl2N2O3S/c1-20-15-6-3-11(8-10(15)2-7-16(20)21)19-24(22,23)12-4-5-13(17)14(18)9-12/h2-9,19H,1H3 | PDB
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| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRPF2-BRD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain and PHD finger-containing protein 3
(Homo sapiens (Human)) | BDBM50249810
(CHEMBL4102050)Show SMILES Cc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(C)c1=O Show InChI InChI=1S/C18H15N3O3S/c1-12-9-14-10-15(5-8-17(14)21(2)18(12)22)20-25(23,24)16-6-3-13(11-19)4-7-16/h3-10,20H,1-2H3 | PDB
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| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRPF3 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 1
(Homo sapiens (Human)) | BDBM50249816
(CHEMBL4103432)Show InChI InChI=1S/C17H13N3O3S/c1-20-16-7-6-14(10-13(16)5-8-17(20)21)19-24(22,23)15-4-2-3-12(9-15)11-18/h2-10,19H,1H3 | PDB
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| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRPF2-BRD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 9
(Homo sapiens (Human)) | BDBM50249810
(CHEMBL4102050)Show SMILES Cc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(C)c1=O Show InChI InChI=1S/C18H15N3O3S/c1-12-9-14-10-15(5-8-17(14)21(2)18(12)22)20-25(23,24)16-6-3-13(11-19)4-7-16/h3-10,20H,1-2H3 | PDB
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University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRD9 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 9
(Homo sapiens (Human)) | BDBM50267008
(CHEMBL4078047)Show SMILES COc1ccccc1C(=O)Nc1cc2cc(C)c(=O)n(C)c2cc1N1CCCC1 Show InChI InChI=1S/C23H25N3O3/c1-15-12-16-13-18(24-22(27)17-8-4-5-9-21(17)29-3)20(26-10-6-7-11-26)14-19(16)25(2)23(15)28/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,24,27) | PDB
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| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRD9 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Peregrin
(Homo sapiens (Human)) | BDBM50249771
(CHEMBL4070377)Show InChI InChI=1S/C17H13N3O3S/c1-20-15-8-7-14(10-12(15)6-9-17(20)21)19-24(22,23)16-5-3-2-4-13(16)11-18/h2-10,19H,1H3 | PDB
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| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRPF1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 1
(Homo sapiens (Human)) | BDBM50267003
(CHEMBL4081438)Show SMILES Cn1c2ccc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2ccc1=O Show InChI InChI=1S/C17H12ClN3O3S/c1-21-16-6-4-13(8-11(16)3-7-17(21)22)20-25(23,24)14-5-2-12(10-19)15(18)9-14/h2-9,20H,1H3 | PDB
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| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRPF2-BRD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50249785
(CHEMBL4069814)Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc2n(C)c(=O)c(C)cc2c1 Show InChI InChI=1S/C18H18N2O4S/c1-12-10-13-11-14(8-9-15(13)20(2)18(12)21)19-25(22,23)17-7-5-4-6-16(17)24-3/h4-11,19H,1-3H3 | PDB
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| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRD4-BD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 1
(Homo sapiens (Human)) | BDBM50249810
(CHEMBL4102050)Show SMILES Cc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(C)c1=O Show InChI InChI=1S/C18H15N3O3S/c1-12-9-14-10-15(5-8-17(14)21(2)18(12)22)20-25(23,24)16-6-3-13(11-19)4-7-16/h3-10,20H,1-2H3 | PDB
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| n/a | n/a | 760 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human His tagged BRPF2 incubated for 30 mins followed by addition of biotinylated peptide and further incubation for 30 mins measured b... |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 9
(Homo sapiens (Human)) | BDBM50267004
(CHEMBL4096095)Show SMILES COc1cc2n(C)c(=O)cc(C)c2cc1NS(=O)(=O)c1ccc(cc1)C#N Show InChI InChI=1S/C19H17N3O4S/c1-12-8-19(23)22(2)17-10-18(26-3)16(9-15(12)17)21-27(24,25)14-6-4-13(11-20)5-7-14/h4-10,21H,1-3H3 | PDB
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| n/a | n/a | 890 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRD9 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 9
(Homo sapiens (Human)) | BDBM50249770
(CHEMBL4076056)Show InChI InChI=1S/C17H13N3O3S/c1-20-16-8-5-14(10-13(16)4-9-17(20)21)19-24(22,23)15-6-2-12(11-18)3-7-15/h2-10,19H,1H3 | PDB
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| n/a | n/a | 910 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRD9 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain and PHD finger-containing protein 3
(Homo sapiens (Human)) | BDBM50249770
(CHEMBL4076056)Show InChI InChI=1S/C17H13N3O3S/c1-20-16-8-5-14(10-13(16)4-9-17(20)21)19-24(22,23)15-6-2-12(11-18)3-7-15/h2-10,19H,1H3 | PDB
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| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRPF3 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 9
(Homo sapiens (Human)) | BDBM50249810
(CHEMBL4102050)Show SMILES Cc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(C)c1=O Show InChI InChI=1S/C18H15N3O3S/c1-12-9-14-10-15(5-8-17(14)21(2)18(12)22)20-25(23,24)16-6-3-13(11-19)4-7-16/h3-10,20H,1-2H3 | PDB
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| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human His tagged BRD9 incubated for 30 mins followed by addition of biotinylated peptide and further incubation for 30 mins measured by... |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 1
(Homo sapiens (Human)) | BDBM50249772
(CHEMBL4067436)Show InChI InChI=1S/C16H14N2O3S/c1-18-15-9-8-13(11-12(15)7-10-16(18)19)17-22(20,21)14-5-3-2-4-6-14/h2-11,17H,1H3 | PDB
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| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRPF2-BRD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 1
(Homo sapiens (Human)) | BDBM50249771
(CHEMBL4070377)Show InChI InChI=1S/C17H13N3O3S/c1-20-15-8-7-14(10-12(15)6-9-17(20)21)19-24(22,23)16-5-3-2-4-13(16)11-18/h2-10,19H,1H3 | PDB
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| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRPF2-BRD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50249772
(CHEMBL4067436)Show InChI InChI=1S/C16H14N2O3S/c1-18-15-9-8-13(11-12(15)7-10-16(18)19)17-22(20,21)14-5-3-2-4-6-14/h2-11,17H,1H3 | PDB
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| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRD4-BD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 1
(Homo sapiens (Human)) | BDBM50267004
(CHEMBL4096095)Show SMILES COc1cc2n(C)c(=O)cc(C)c2cc1NS(=O)(=O)c1ccc(cc1)C#N Show InChI InChI=1S/C19H17N3O4S/c1-12-8-19(23)22(2)17-10-18(26-3)16(9-15(12)17)21-27(24,25)14-6-4-13(11-20)5-7-14/h4-10,21H,1-3H3 | PDB
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| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRPF2-BRD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain and PHD finger-containing protein 3
(Homo sapiens (Human)) | BDBM50249810
(CHEMBL4102050)Show SMILES Cc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(C)c1=O Show InChI InChI=1S/C18H15N3O3S/c1-12-9-14-10-15(5-8-17(14)21(2)18(12)22)20-25(23,24)16-6-3-13(11-19)4-7-16/h3-10,20H,1-2H3 | PDB
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| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human His tagged BRPF3 incubated for 30 mins followed by addition of biotinylated peptide and further incubation for 30 mins measured b... |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Peregrin
(Homo sapiens (Human)) | BDBM50267007
(CHEMBL4095549)Show InChI InChI=1S/C10H10N2O/c1-12-9-4-3-8(11)6-7(9)2-5-10(12)13/h2-6H,11H2,1H3 | PDB
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| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRPF1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain and PHD finger-containing protein 3
(Homo sapiens (Human)) | BDBM50267003
(CHEMBL4081438)Show SMILES Cn1c2ccc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2ccc1=O Show InChI InChI=1S/C17H12ClN3O3S/c1-21-16-6-4-13(8-11(16)3-7-17(21)22)20-25(23,24)14-5-2-12(10-19)15(18)9-14/h2-9,20H,1H3 | PDB
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| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRPF3 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 9
(Homo sapiens (Human)) | BDBM50267003
(CHEMBL4081438)Show SMILES Cn1c2ccc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2ccc1=O Show InChI InChI=1S/C17H12ClN3O3S/c1-21-16-6-4-13(8-11(16)3-7-17(21)22)20-25(23,24)14-5-2-12(10-19)15(18)9-14/h2-9,20H,1H3 | PDB
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| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRD9 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 1
(Homo sapiens (Human)) | BDBM50267008
(CHEMBL4078047)Show SMILES COc1ccccc1C(=O)Nc1cc2cc(C)c(=O)n(C)c2cc1N1CCCC1 Show InChI InChI=1S/C23H25N3O3/c1-15-12-16-13-18(24-22(27)17-8-4-5-9-21(17)29-3)20(26-10-6-7-11-26)14-19(16)25(2)23(15)28/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,24,27) | PDB
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| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRPF2-BRD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50249770
(CHEMBL4076056)Show InChI InChI=1S/C17H13N3O3S/c1-20-16-8-5-14(10-13(16)4-9-17(20)21)19-24(22,23)15-6-2-12(11-18)3-7-15/h2-10,19H,1H3 | PDB
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| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRD4-BD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50249810
(CHEMBL4102050)Show SMILES Cc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(C)c1=O Show InChI InChI=1S/C18H15N3O3S/c1-12-9-14-10-15(5-8-17(14)21(2)18(12)22)20-25(23,24)16-6-3-13(11-19)4-7-16/h3-10,20H,1-2H3 | PDB
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| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRD4-BD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50267008
(CHEMBL4078047)Show SMILES COc1ccccc1C(=O)Nc1cc2cc(C)c(=O)n(C)c2cc1N1CCCC1 Show InChI InChI=1S/C23H25N3O3/c1-15-12-16-13-18(24-22(27)17-8-4-5-9-21(17)29-3)20(26-10-6-7-11-26)14-19(16)25(2)23(15)28/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,24,27) | PDB
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| n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRD4-BD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Peregrin
(Homo sapiens (Human)) | BDBM50157646
(CHEMBL216146)Show InChI InChI=1S/C10H9NO/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3 | PDB
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| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRPF1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50267003
(CHEMBL4081438)Show SMILES Cn1c2ccc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2ccc1=O Show InChI InChI=1S/C17H12ClN3O3S/c1-21-16-6-4-13(8-11(16)3-7-17(21)22)20-25(23,24)14-5-2-12(10-19)15(18)9-14/h2-9,20H,1H3 | PDB
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| n/a | n/a | 7.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRD4-BD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain and PHD finger-containing protein 3
(Homo sapiens (Human)) | BDBM50249772
(CHEMBL4067436)Show InChI InChI=1S/C16H14N2O3S/c1-18-15-9-8-13(11-12(15)7-10-16(18)19)17-22(20,21)14-5-3-2-4-6-14/h2-11,17H,1H3 | PDB
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| n/a | n/a | 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRPF3 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain and PHD finger-containing protein 3
(Homo sapiens (Human)) | BDBM50267004
(CHEMBL4096095)Show SMILES COc1cc2n(C)c(=O)cc(C)c2cc1NS(=O)(=O)c1ccc(cc1)C#N Show InChI InChI=1S/C19H17N3O4S/c1-12-8-19(23)22(2)17-10-18(26-3)16(9-15(12)17)21-27(24,25)14-6-4-13(11-20)5-7-14/h4-10,21H,1-3H3 | PDB
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| n/a | n/a | 9.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRPF3 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain and PHD finger-containing protein 3
(Homo sapiens (Human)) | BDBM50267008
(CHEMBL4078047)Show SMILES COc1ccccc1C(=O)Nc1cc2cc(C)c(=O)n(C)c2cc1N1CCCC1 Show InChI InChI=1S/C23H25N3O3/c1-15-12-16-13-18(24-22(27)17-8-4-5-9-21(17)29-3)20(26-10-6-7-11-26)14-19(16)25(2)23(15)28/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,24,27) | PDB
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| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRPF3 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 9
(Homo sapiens (Human)) | BDBM50157646
(CHEMBL216146)Show InChI InChI=1S/C10H9NO/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3 | PDB
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| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRD9 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50267004
(CHEMBL4096095)Show SMILES COc1cc2n(C)c(=O)cc(C)c2cc1NS(=O)(=O)c1ccc(cc1)C#N Show InChI InChI=1S/C19H17N3O4S/c1-12-8-19(23)22(2)17-10-18(26-3)16(9-15(12)17)21-27(24,25)14-6-4-13(11-20)5-7-14/h4-10,21H,1-3H3 | PDB
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| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRD4-BD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
TATA box-binding protein-associated factor RNA polymerase I subunit A
(Homo sapiens) | BDBM50249797
(CHEMBL4059509)Show SMILES CCc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(CC)c1=O Show InChI InChI=1S/C20H19N3O3S/c1-3-15-11-16-12-17(7-10-19(16)23(4-2)20(15)24)22-27(25,26)18-8-5-14(13-21)6-9-18/h5-12,22H,3-4H2,1-2H3 | UniProtKB/SwissProt
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human His tagged TAF1A incubated for 30 mins followed by addition of biotinylated peptide and further incubation for 30 mins measured b... |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Nucleosome-remodeling factor subunit BPTF
(Homo sapiens (Human)) | BDBM50249797
(CHEMBL4059509)Show SMILES CCc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(CC)c1=O Show InChI InChI=1S/C20H19N3O3S/c1-3-15-11-16-12-17(7-10-19(16)23(4-2)20(15)24)22-27(25,26)18-8-5-14(13-21)6-9-18/h5-12,22H,3-4H2,1-2H3 | PDB
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University College London
Curated by ChEMBL
| Assay Description
Inhibition of human His tagged FALZ incubated for 30 mins followed by addition of biotinylated peptide and further incubation for 30 mins measured by... |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50249810
(CHEMBL4102050)Show SMILES Cc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(C)c1=O Show InChI InChI=1S/C18H15N3O3S/c1-12-9-14-10-15(5-8-17(14)21(2)18(12)22)20-25(23,24)16-6-3-13(11-19)4-7-16/h3-10,20H,1-2H3 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human His tagged BRD4-BD1 incubated for 30 mins followed by addition of biotinylated peptide and further incubation for 30 mins measure... |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50249797
(CHEMBL4059509)Show SMILES CCc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(CC)c1=O Show InChI InChI=1S/C20H19N3O3S/c1-3-15-11-16-12-17(7-10-19(16)23(4-2)20(15)24)22-27(25,26)18-8-5-14(13-21)6-9-18/h5-12,22H,3-4H2,1-2H3 | PDB
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University College London
Curated by ChEMBL
| Assay Description
Inhibition of human His tagged BRD4-BD1 incubated for 30 mins followed by addition of biotinylated peptide and further incubation for 30 mins measure... |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 9
(Homo sapiens (Human)) | BDBM50249797
(CHEMBL4059509)Show SMILES CCc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(CC)c1=O Show InChI InChI=1S/C20H19N3O3S/c1-3-15-11-16-12-17(7-10-19(16)23(4-2)20(15)24)22-27(25,26)18-8-5-14(13-21)6-9-18/h5-12,22H,3-4H2,1-2H3 | PDB
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University College London
Curated by ChEMBL
| Assay Description
Inhibition of human His tagged BRD9 incubated for 30 mins followed by addition of biotinylated peptide and further incubation for 30 mins measured by... |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Chromatin remodeling regulator CECR2
(Homo sapiens (Human)) | BDBM50249797
(CHEMBL4059509)Show SMILES CCc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(CC)c1=O Show InChI InChI=1S/C20H19N3O3S/c1-3-15-11-16-12-17(7-10-19(16)23(4-2)20(15)24)22-27(25,26)18-8-5-14(13-21)6-9-18/h5-12,22H,3-4H2,1-2H3 | PDB
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University College London
Curated by ChEMBL
| Assay Description
Inhibition of human His tagged CECR2 incubated for 30 mins followed by addition of biotinylated peptide and further incubation for 30 mins measured b... |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Peregrin
(Homo sapiens (Human)) | BDBM50249797
(CHEMBL4059509)Show SMILES CCc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(CC)c1=O Show InChI InChI=1S/C20H19N3O3S/c1-3-15-11-16-12-17(7-10-19(16)23(4-2)20(15)24)22-27(25,26)18-8-5-14(13-21)6-9-18/h5-12,22H,3-4H2,1-2H3 | PDB
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University College London
Curated by ChEMBL
| Assay Description
Inhibition of human His tagged BRPF1 incubated for 30 mins followed by addition of biotinylated peptide and further incubation for 30 mins measured b... |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Histone acetyltransferase KAT2B
(Homo sapiens (Human)) | BDBM50157646
(CHEMBL216146)Show InChI InChI=1S/C10H9NO/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3 | PDB
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| n/a | n/a | 7.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human PCAF expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50157646
(CHEMBL216146)Show InChI InChI=1S/C10H9NO/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3 | PDB
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| n/a | n/a | 7.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRD4-BD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Probable global transcription activator SNF2L2
(Homo sapiens (Human)) | BDBM50249797
(CHEMBL4059509)Show SMILES CCc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(CC)c1=O Show InChI InChI=1S/C20H19N3O3S/c1-3-15-11-16-12-17(7-10-19(16)23(4-2)20(15)24)22-27(25,26)18-8-5-14(13-21)6-9-18/h5-12,22H,3-4H2,1-2H3 | PDB
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| n/a | n/a | 7.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human SMARCA2A expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50249797
(CHEMBL4059509)Show SMILES CCc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(CC)c1=O Show InChI InChI=1S/C20H19N3O3S/c1-3-15-11-16-12-17(7-10-19(16)23(4-2)20(15)24)22-27(25,26)18-8-5-14(13-21)6-9-18/h5-12,22H,3-4H2,1-2H3 | PDB
MMDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human CREBBP expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
ATPase family AAA domain-containing protein 2
(Homo sapiens (Human)) | BDBM50157646
(CHEMBL216146)Show InChI InChI=1S/C10H9NO/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3 | PDB
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| PDB
Article
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human ATAD2A expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bromodomain adjacent to zinc finger domain protein 2A
(Homo sapiens (Human)) | BDBM50249797
(CHEMBL4059509)Show SMILES CCc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(CC)c1=O Show InChI InChI=1S/C20H19N3O3S/c1-3-15-11-16-12-17(7-10-19(16)23(4-2)20(15)24)22-27(25,26)18-8-5-14(13-21)6-9-18/h5-12,22H,3-4H2,1-2H3 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BAZ2A expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Histone acetyltransferase KAT2B
(Homo sapiens (Human)) | BDBM50249797
(CHEMBL4059509)Show SMILES CCc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(CC)c1=O Show InChI InChI=1S/C20H19N3O3S/c1-3-15-11-16-12-17(7-10-19(16)23(4-2)20(15)24)22-27(25,26)18-8-5-14(13-21)6-9-18/h5-12,22H,3-4H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| PC cid
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UniChem
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human PCAF expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain and PHD finger-containing protein 3
(Homo sapiens (Human)) | BDBM50249797
(CHEMBL4059509)Show SMILES CCc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(CC)c1=O Show InChI InChI=1S/C20H19N3O3S/c1-3-15-11-16-12-17(7-10-19(16)23(4-2)20(15)24)22-27(25,26)18-8-5-14(13-21)6-9-18/h5-12,22H,3-4H2,1-2H3 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRPF3 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 1
(Homo sapiens (Human)) | BDBM50249797
(CHEMBL4059509)Show SMILES CCc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(CC)c1=O Show InChI InChI=1S/C20H19N3O3S/c1-3-15-11-16-12-17(7-10-19(16)23(4-2)20(15)24)22-27(25,26)18-8-5-14(13-21)6-9-18/h5-12,22H,3-4H2,1-2H3 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRPF2-BRD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 9
(Homo sapiens (Human)) | BDBM50249797
(CHEMBL4059509)Show SMILES CCc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(CC)c1=O Show InChI InChI=1S/C20H19N3O3S/c1-3-15-11-16-12-17(7-10-19(16)23(4-2)20(15)24)22-27(25,26)18-8-5-14(13-21)6-9-18/h5-12,22H,3-4H2,1-2H3 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRD9 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase TRIM33
(Homo sapiens (Human)) | BDBM50249797
(CHEMBL4059509)Show SMILES CCc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(CC)c1=O Show InChI InChI=1S/C20H19N3O3S/c1-3-15-11-16-12-17(7-10-19(16)23(4-2)20(15)24)22-27(25,26)18-8-5-14(13-21)6-9-18/h5-12,22H,3-4H2,1-2H3 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human TRIM33 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Peregrin
(Homo sapiens (Human)) | BDBM50249797
(CHEMBL4059509)Show SMILES CCc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(CC)c1=O Show InChI InChI=1S/C20H19N3O3S/c1-3-15-11-16-12-17(7-10-19(16)23(4-2)20(15)24)22-27(25,26)18-8-5-14(13-21)6-9-18/h5-12,22H,3-4H2,1-2H3 | PDB
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University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRPF1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
ATPase family AAA domain-containing protein 2
(Homo sapiens (Human)) | BDBM50249810
(CHEMBL4102050)Show SMILES Cc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(C)c1=O Show InChI InChI=1S/C18H15N3O3S/c1-12-9-14-10-15(5-8-17(14)21(2)18(12)22)20-25(23,24)16-6-3-13(11-19)4-7-16/h3-10,20H,1-2H3 | PDB
MMDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Inhibition of human ATAD2A expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
ATPase family AAA domain-containing protein 2B
(Homo sapiens (Human)) | BDBM50249797
(CHEMBL4059509)Show SMILES CCc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(CC)c1=O Show InChI InChI=1S/C20H19N3O3S/c1-3-15-11-16-12-17(7-10-19(16)23(4-2)20(15)24)22-27(25,26)18-8-5-14(13-21)6-9-18/h5-12,22H,3-4H2,1-2H3 | PDB
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University College London
Curated by ChEMBL
| Assay Description
Inhibition of human ATAD2B expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
ATPase family AAA domain-containing protein 2
(Homo sapiens (Human)) | BDBM50249797
(CHEMBL4059509)Show SMILES CCc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(CC)c1=O Show InChI InChI=1S/C20H19N3O3S/c1-3-15-11-16-12-17(7-10-19(16)23(4-2)20(15)24)22-27(25,26)18-8-5-14(13-21)6-9-18/h5-12,22H,3-4H2,1-2H3 | PDB
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University College London
Curated by ChEMBL
| Assay Description
Inhibition of human ATAD2A expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Chromatin remodeling regulator CECR2
(Homo sapiens (Human)) | BDBM50249797
(CHEMBL4059509)Show SMILES CCc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(CC)c1=O Show InChI InChI=1S/C20H19N3O3S/c1-3-15-11-16-12-17(7-10-19(16)23(4-2)20(15)24)22-27(25,26)18-8-5-14(13-21)6-9-18/h5-12,22H,3-4H2,1-2H3 | PDB
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University College London
Curated by ChEMBL
| Assay Description
Inhibition of human CECR2 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 7
(Homo sapiens (Human)) | BDBM50249797
(CHEMBL4059509)Show SMILES CCc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(CC)c1=O Show InChI InChI=1S/C20H19N3O3S/c1-3-15-11-16-12-17(7-10-19(16)23(4-2)20(15)24)22-27(25,26)18-8-5-14(13-21)6-9-18/h5-12,22H,3-4H2,1-2H3 | PDB
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University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRD7 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50249797
(CHEMBL4059509)Show SMILES CCc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(CC)c1=O Show InChI InChI=1S/C20H19N3O3S/c1-3-15-11-16-12-17(7-10-19(16)23(4-2)20(15)24)22-27(25,26)18-8-5-14(13-21)6-9-18/h5-12,22H,3-4H2,1-2H3 | PDB
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University College London
Curated by ChEMBL
| Assay Description
Inhibition of human BRD4-BD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
ATPase family AAA domain-containing protein 2B
(Homo sapiens (Human)) | BDBM50249810
(CHEMBL4102050)Show SMILES Cc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(C)c1=O Show InChI InChI=1S/C18H15N3O3S/c1-12-9-14-10-15(5-8-17(14)21(2)18(12)22)20-25(23,24)16-6-3-13(11-19)4-7-16/h3-10,20H,1-2H3 | PDB
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University College London
Curated by ChEMBL
| Assay Description
Inhibition of human ATAD2B expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 1
(Homo sapiens (Human)) | BDBM50249810
(CHEMBL4102050)Show SMILES Cc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(C)c1=O Show InChI InChI=1S/C18H15N3O3S/c1-12-9-14-10-15(5-8-17(14)21(2)18(12)22)20-25(23,24)16-6-3-13(11-19)4-7-16/h3-10,20H,1-2H3 | PDB
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University College London
Curated by ChEMBL
| Assay Description
Binding affinity to human BRPF2 by isothermal titration calorimetry |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 9
(Homo sapiens (Human)) | BDBM50249810
(CHEMBL4102050)Show SMILES Cc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(C)c1=O Show InChI InChI=1S/C18H15N3O3S/c1-12-9-14-10-15(5-8-17(14)21(2)18(12)22)20-25(23,24)16-6-3-13(11-19)4-7-16/h3-10,20H,1-2H3 | PDB
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| n/a | n/a | n/a | 1.13E+3 | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description
Binding affinity to human BRD9 by isothermal titration calorimetry |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Peregrin
(Homo sapiens (Human)) | BDBM50249810
(CHEMBL4102050)Show SMILES Cc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(C)c1=O Show InChI InChI=1S/C18H15N3O3S/c1-12-9-14-10-15(5-8-17(14)21(2)18(12)22)20-25(23,24)16-6-3-13(11-19)4-7-16/h3-10,20H,1-2H3 | PDB
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University College London
Curated by ChEMBL
| Assay Description
Binding affinity to human BRPF1 by isothermal titration calorimetry |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
Bromodomain and PHD finger-containing protein 3
(Homo sapiens (Human)) | BDBM50249810
(CHEMBL4102050)Show SMILES Cc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(C)c1=O Show InChI InChI=1S/C18H15N3O3S/c1-12-9-14-10-15(5-8-17(14)21(2)18(12)22)20-25(23,24)16-6-3-13(11-19)4-7-16/h3-10,20H,1-2H3 | PDB
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University College London
Curated by ChEMBL
| Assay Description
Binding affinity to human BRPF3 by isothermal titration calorimetry |
J Med Chem 60: 668-680 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01583
BindingDB Entry DOI: 10.7270/Q29K4DQ5 |
More data for this
Ligand-Target Pair | |
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