Found 9 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 9' and Ligand = 'BDBM50157607' 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 |
Bromodomain-containing protein 9
(Homo sapiens (Human)) | BDBM50157607
(CHEMBL3753082 | US11773085, Compound B24)Show SMILES CC(C)CS(=O)(=O)N[C@H]1CCC(=O)N([C@@H]1c1ccc(Cl)cc1)c1ccc2c(C)cc(=O)n(C)c2c1 |r| Show InChI InChI=1S/C26H30ClN3O4S/c1-16(2)15-35(33,34)28-22-11-12-24(31)30(26(22)18-5-7-19(27)8-6-18)20-9-10-21-17(3)13-25(32)29(4)23(21)14-20/h5-10,13-14,16,22,26,28H,11-12,15H2,1-4H3/t22-,26+/m0/s1 | PDB
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| PDB Article PubMed
| n/a | n/a | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim RCV GmbH& Co KG
Curated by ChEMBL
| Assay Description Inhibition of human BRD9 isoform 1 co-expressed with H3 histone family 3A in HEK293 cells preincubated for 18 hrs followed by addition of nano-BRET f... |
J Med Chem 59: 4462-75 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bromodomain-containing protein 9
(Homo sapiens (Human)) | BDBM50157607
(CHEMBL3753082 | US11773085, Compound B24)Show SMILES CC(C)CS(=O)(=O)N[C@H]1CCC(=O)N([C@@H]1c1ccc(Cl)cc1)c1ccc2c(C)cc(=O)n(C)c2c1 |r| Show InChI InChI=1S/C26H30ClN3O4S/c1-16(2)15-35(33,34)28-22-11-12-24(31)30(26(22)18-5-7-19(27)8-6-18)20-9-10-21-17(3)13-25(32)29(4)23(21)14-20/h5-10,13-14,16,22,26,28H,11-12,15H2,1-4H3/t22-,26+/m0/s1 | PDB
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Similars
| PDB Article PubMed
| n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim RCV GmbH& Co KG
Curated by ChEMBL
| Assay Description Inhibition of human BRD9 isoform 1 co-expressed with H4 histone in HEK293 cells preincubated for 18 hrs followed by addition of nano-BRET furimazine ... |
J Med Chem 59: 4462-75 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bromodomain-containing protein 9
(Homo sapiens (Human)) | BDBM50157607
(CHEMBL3753082 | US11773085, Compound B24)Show SMILES CC(C)CS(=O)(=O)N[C@H]1CCC(=O)N([C@@H]1c1ccc(Cl)cc1)c1ccc2c(C)cc(=O)n(C)c2c1 |r| Show InChI InChI=1S/C26H30ClN3O4S/c1-16(2)15-35(33,34)28-22-11-12-24(31)30(26(22)18-5-7-19(27)8-6-18)20-9-10-21-17(3)13-25(32)29(4)23(21)14-20/h5-10,13-14,16,22,26,28H,11-12,15H2,1-4H3/t22-,26+/m0/s1 | PDB
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| n/a | n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bromodomain-containing protein 9
(Homo sapiens (Human)) | BDBM50157607
(CHEMBL3753082 | US11773085, Compound B24)Show SMILES CC(C)CS(=O)(=O)N[C@H]1CCC(=O)N([C@@H]1c1ccc(Cl)cc1)c1ccc2c(C)cc(=O)n(C)c2c1 |r| Show InChI InChI=1S/C26H30ClN3O4S/c1-16(2)15-35(33,34)28-22-11-12-24(31)30(26(22)18-5-7-19(27)8-6-18)20-9-10-21-17(3)13-25(32)29(4)23(21)14-20/h5-10,13-14,16,22,26,28H,11-12,15H2,1-4H3/t22-,26+/m0/s1 | PDB
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CHEMBL MCE PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human BRD9 by isothermal calorimetric titration method |
Bioorg Med Chem 27: 1391-1404 (2019)
Article DOI: 10.1016/j.bmc.2019.02.045 BindingDB Entry DOI: 10.7270/Q2KK9GBF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bromodomain-containing protein 9
(Homo sapiens (Human)) | BDBM50157607
(CHEMBL3753082 | US11773085, Compound B24)Show SMILES CC(C)CS(=O)(=O)N[C@H]1CCC(=O)N([C@@H]1c1ccc(Cl)cc1)c1ccc2c(C)cc(=O)n(C)c2c1 |r| Show InChI InChI=1S/C26H30ClN3O4S/c1-16(2)15-35(33,34)28-22-11-12-24(31)30(26(22)18-5-7-19(27)8-6-18)20-9-10-21-17(3)13-25(32)29(4)23(21)14-20/h5-10,13-14,16,22,26,28H,11-12,15H2,1-4H3/t22-,26+/m0/s1 | PDB
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CHEMBL MCE PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Binding affinity to BRD9 (unknown origin) |
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 | 3D Structure (crystal) |
Bromodomain-containing protein 9
(Homo sapiens (Human)) | BDBM50157607
(CHEMBL3753082 | US11773085, Compound B24)Show SMILES CC(C)CS(=O)(=O)N[C@H]1CCC(=O)N([C@@H]1c1ccc(Cl)cc1)c1ccc2c(C)cc(=O)n(C)c2c1 |r| Show InChI InChI=1S/C26H30ClN3O4S/c1-16(2)15-35(33,34)28-22-11-12-24(31)30(26(22)18-5-7-19(27)8-6-18)20-9-10-21-17(3)13-25(32)29(4)23(21)14-20/h5-10,13-14,16,22,26,28H,11-12,15H2,1-4H3/t22-,26+/m0/s1 | PDB
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| PDB Article PubMed
| n/a | n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to human partial length BRD9 (R130 to V259 residues) by bromoKdELECT Discover assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00478 BindingDB Entry DOI: 10.7270/Q2154MRG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bromodomain-containing protein 9
(Homo sapiens (Human)) | BDBM50157607
(CHEMBL3753082 | US11773085, Compound B24)Show SMILES CC(C)CS(=O)(=O)N[C@H]1CCC(=O)N([C@@H]1c1ccc(Cl)cc1)c1ccc2c(C)cc(=O)n(C)c2c1 |r| Show InChI InChI=1S/C26H30ClN3O4S/c1-16(2)15-35(33,34)28-22-11-12-24(31)30(26(22)18-5-7-19(27)8-6-18)20-9-10-21-17(3)13-25(32)29(4)23(21)14-20/h5-10,13-14,16,22,26,28H,11-12,15H2,1-4H3/t22-,26+/m0/s1 | PDB
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UniProtKB/SwissProt
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim RCV GmbH& Co KG
Curated by ChEMBL
| Assay Description Inhibition of human BRD9 isoform 1 by VP-ITC method |
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 | 3D Structure (crystal) |
Bromodomain-containing protein 9
(Homo sapiens (Human)) | BDBM50157607
(CHEMBL3753082 | US11773085, Compound B24)Show SMILES CC(C)CS(=O)(=O)N[C@H]1CCC(=O)N([C@@H]1c1ccc(Cl)cc1)c1ccc2c(C)cc(=O)n(C)c2c1 |r| Show InChI InChI=1S/C26H30ClN3O4S/c1-16(2)15-35(33,34)28-22-11-12-24(31)30(26(22)18-5-7-19(27)8-6-18)20-9-10-21-17(3)13-25(32)29(4)23(21)14-20/h5-10,13-14,16,22,26,28H,11-12,15H2,1-4H3/t22-,26+/m0/s1 | PDB
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UniProtKB/SwissProt
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CHEMBL MCE PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Binding affinity to BRD9 (unknown origin) by isothermal titration calorimetric analysis |
J Med Chem 59: 1271-98 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01514 BindingDB Entry DOI: 10.7270/Q2X92D6H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bromodomain-containing protein 9
(Homo sapiens (Human)) | BDBM50157607
(CHEMBL3753082 | US11773085, Compound B24)Show SMILES CC(C)CS(=O)(=O)N[C@H]1CCC(=O)N([C@@H]1c1ccc(Cl)cc1)c1ccc2c(C)cc(=O)n(C)c2c1 |r| Show InChI InChI=1S/C26H30ClN3O4S/c1-16(2)15-35(33,34)28-22-11-12-24(31)30(26(22)18-5-7-19(27)8-6-18)20-9-10-21-17(3)13-25(32)29(4)23(21)14-20/h5-10,13-14,16,22,26,28H,11-12,15H2,1-4H3/t22-,26+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a |
Moffitt Cancer Center
Curated by ChEMBL
| Assay Description Binding affinity to human BRD9 by ITC analysis |
J Med Chem 59: 4459-61 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00550 BindingDB Entry DOI: 10.7270/Q2PK0J3N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |