Found 264 hits with Last Name = 'divakaran' and Initial = 'a' 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 4
(Homo sapiens (Human)) | BDBM50443232
(CHEMBL3086883)Show SMILES Cc1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)c(N)cc1O |w:4.3| Show InChI InChI=1S/C18H17N5O3S/c1-12-10-16(15(19)11-17(12)24)22-21-13-5-7-14(8-6-13)27(25,26)23-18-4-2-3-9-20-18/h2-11,24H,19H2,1H3,(H,20,23) | PDB
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| <85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description Inhibition of human 6x-His-tagged BRD4 bromodomain 1 expressed in Escherichia coli |
J Med Chem 61: 9316-9334 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01248 BindingDB Entry DOI: 10.7270/Q25T3PRQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM50443232
(CHEMBL3086883)Show SMILES Cc1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)c(N)cc1O |w:4.3| Show InChI InChI=1S/C18H17N5O3S/c1-12-10-16(15(19)11-17(12)24)22-21-13-5-7-14(8-6-13)27(25,26)23-18-4-2-3-9-20-18/h2-11,24H,19H2,1H3,(H,20,23) | PDB
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| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description Inhibition of human 6x-His-tagged BRD3 bromodomain 1 expressed in Escherichia coli |
J Med Chem 61: 9316-9334 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01248 BindingDB Entry DOI: 10.7270/Q25T3PRQ |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM50443232
(CHEMBL3086883)Show SMILES Cc1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)c(N)cc1O |w:4.3| Show InChI InChI=1S/C18H17N5O3S/c1-12-10-16(15(19)11-17(12)24)22-21-13-5-7-14(8-6-13)27(25,26)23-18-4-2-3-9-20-18/h2-11,24H,19H2,1H3,(H,20,23) | PDB
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| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description Inhibition of human 6x-His-tagged BRD3 bromodomain 2 expressed in Escherichia coli |
J Med Chem 61: 9316-9334 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01248 BindingDB Entry DOI: 10.7270/Q25T3PRQ |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50443232
(CHEMBL3086883)Show SMILES Cc1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)c(N)cc1O |w:4.3| Show InChI InChI=1S/C18H17N5O3S/c1-12-10-16(15(19)11-17(12)24)22-21-13-5-7-14(8-6-13)27(25,26)23-18-4-2-3-9-20-18/h2-11,24H,19H2,1H3,(H,20,23) | PDB
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| 340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description Inhibition of human 6x-His-tagged BRD4 bromodomain 2 expressed in Escherichia coli |
J Med Chem 61: 9316-9334 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01248 BindingDB Entry DOI: 10.7270/Q25T3PRQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50584413
(CHEMBL5084290)Show SMILES CC(C)c1ccc(C)c(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(cc2)C(F)(F)F)c1 | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00300 BindingDB Entry DOI: 10.7270/Q20R9TCG |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50365262
((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1 | PDB
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| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of BRD4 D1 (unknown origin) by alphascreen assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01779 BindingDB Entry DOI: 10.7270/Q28056H6 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50365262
((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1 | PDB
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| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to BRD4 BD2 (unknown origin) by fluorescence anisotropy method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00933 BindingDB Entry DOI: 10.7270/Q2PR80VN |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50365262
((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1 | PDB
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| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to BRD4 BD1 (unknown origin) by fluorescence anisotropy method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00933 BindingDB Entry DOI: 10.7270/Q2PR80VN |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM50365262
((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1 | PDB
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| n/a | n/a | <80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of BRD3 D1 (unknown origin) by competitive fluorescence anisotropy assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01779 BindingDB Entry DOI: 10.7270/Q28056H6 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50584418
(CHEMBL5082732)Show SMILES CC(C)c1ccc(C)c(Oc2nccc(n2)-c2c(ncn2[C@H]2CCN(CCN(C)C)C2)-c2ccc(cc2)C(F)(F)F)c1 |r| | PDB
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| n/a | n/a | <92 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01779 BindingDB Entry DOI: 10.7270/Q28056H6 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50584414
(CHEMBL5087797)Show SMILES CC(C)c1ccc(C)c(Oc2nccc(n2)-c2c(ncn2C2CCN(CCN(C)C)CC2)-c2ccc(cc2)C(F)(F)F)c1 | PDB
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| n/a | n/a | <92 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01779 BindingDB Entry DOI: 10.7270/Q28056H6 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50584412
(CHEMBL5085224)Show SMILES CCc1cc(C)cc(Oc2nccc(n2)-c2c(ncn2C2CCN(CCN(C)C)CC2)-c2ccc(cc2)C(F)(F)F)c1 | PDB
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| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <92 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01779 BindingDB Entry DOI: 10.7270/Q28056H6 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50584400
(CHEMBL5075050)Show SMILES CCc1cc(C)cc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(I)cc2)c1 | PDB
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| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <92 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01779 BindingDB Entry DOI: 10.7270/Q28056H6 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50584393
(CHEMBL5085236)Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(I)cc2)c1 | PDB
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| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <92 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01779 BindingDB Entry DOI: 10.7270/Q28056H6 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50365262
((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1 | PDB
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| Article PubMed
| n/a | n/a | <92 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01779 BindingDB Entry DOI: 10.7270/Q28056H6 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50584403
(CHEMBL5078890)Show SMILES CC(C)c1ccc(C)c(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(I)cc2)c1 | PDB
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| Article PubMed
| n/a | n/a | <92 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01779 BindingDB Entry DOI: 10.7270/Q28056H6 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50365262
((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1 | PDB
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| n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of BRD4 D2 (unknown origin) by competitive fluorescence anisotropy assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01779 BindingDB Entry DOI: 10.7270/Q28056H6 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM50365262
((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1 | PDB
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| Article PubMed
| n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of BRD3 D2 (unknown origin) by competitive fluorescence anisotropy assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01779 BindingDB Entry DOI: 10.7270/Q28056H6 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50584408
(CHEMBL5086716)Show SMILES Cc1cc(C)cc(Oc2nccc(n2)-c2c(ncn2[C@H]2CCN(CCN)C2)-c2ccc(I)cc2)c1 |r| | PDB
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01779 BindingDB Entry DOI: 10.7270/Q28056H6 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50584416
(CHEMBL5090760)Show SMILES CCc1cc(C)cc(Oc2nccc(n2)-c2c(ncn2[C@H]2CCN(CCN(C)C)C2)-c2ccc(cc2)C(F)(F)F)c1 |r| | PDB
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| Article PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01779 BindingDB Entry DOI: 10.7270/Q28056H6 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50584399
(CHEMBL5089270)Show SMILES CC(C)(C)c1cccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(I)cc2)c1 | PDB
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| Article PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01779 BindingDB Entry DOI: 10.7270/Q28056H6 |
More data for this Ligand-Target Pair | |
Bromodomain testis-specific protein
(Homo sapiens (Human)) | BDBM50365262
((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1 | PDB MMDB
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| Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of BRDT D1 (unknown origin) by competitive fluorescence anisotropy assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01779 BindingDB Entry DOI: 10.7270/Q28056H6 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM50365262
((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1 | PDB
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| Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of BRD2 D2 (unknown origin) by competitive fluorescence anisotropy assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01779 BindingDB Entry DOI: 10.7270/Q28056H6 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50582040
(CHEMBL5083660)Show SMILES CN(C)CCN1CCC(CC1)n1nnc(C)c1-c1cccc(Oc2cc(C)cc(C)c2)n1 | PDB
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| n/a | n/a | 137 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to BRD4 BD1 (unknown origin) by fluorescence anisotropy method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00933 BindingDB Entry DOI: 10.7270/Q2PR80VN |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM50365262
((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1 | PDB
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| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of BRD2 D1 (unknown origin) by competitive fluorescence anisotropy assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01779 BindingDB Entry DOI: 10.7270/Q28056H6 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50584395
(CHEMBL5088918)Show SMILES Cc1cc(C)cc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(I)cc2)c1 | PDB
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| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01779 BindingDB Entry DOI: 10.7270/Q28056H6 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50584392
(CHEMBL5081513)Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(Br)cc2)c1 | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01779 BindingDB Entry DOI: 10.7270/Q28056H6 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50584393
(CHEMBL5085236)Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(I)cc2)c1 | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of BRD4 D1 (unknown origin) by alphascreen assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01779 BindingDB Entry DOI: 10.7270/Q28056H6 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50584398
(CHEMBL5079869)Show SMILES CCc1cccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(I)cc2)c1 | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01779 BindingDB Entry DOI: 10.7270/Q28056H6 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50584410
(CHEMBL5082969)Show SMILES Cc1cc(C)cc(Oc2nccc(n2)-c2c(ncn2[C@@H]2CCN(CCN)C2)-c2ccc(I)cc2)c1 |r| | PDB
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| PC cid PC sid PDB UniChem
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| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01779 BindingDB Entry DOI: 10.7270/Q28056H6 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50584402
(CHEMBL5087306)Show SMILES Cc1ccc(C)c(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(I)cc2)c1 | PDB
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| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01779 BindingDB Entry DOI: 10.7270/Q28056H6 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM50584413
(CHEMBL5084290)Show SMILES CC(C)c1ccc(C)c(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(cc2)C(F)(F)F)c1 | PDB
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| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00300 BindingDB Entry DOI: 10.7270/Q20R9TCG |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50584413
(CHEMBL5084290)Show SMILES CC(C)c1ccc(C)c(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(cc2)C(F)(F)F)c1 | PDB
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| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01779 BindingDB Entry DOI: 10.7270/Q28056H6 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50584390
(CHEMBL5085763)Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(cc2)C(F)(F)F)c1 | PDB
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| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01779 BindingDB Entry DOI: 10.7270/Q28056H6 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50584411
(CHEMBL5084552)Show SMILES CCc1cc(C)cc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(cc2)C(F)(F)F)c1 | PDB
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| Article PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01779 BindingDB Entry DOI: 10.7270/Q28056H6 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50584401
(CHEMBL5091410)Show SMILES Clc1cc(Cl)cc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(I)cc2)c1 | PDB
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| Article PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01779 BindingDB Entry DOI: 10.7270/Q28056H6 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50584392
(CHEMBL5081513)Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(Br)cc2)c1 | PDB
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| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of BRD4 D1 (unknown origin) by alphascreen assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01779 BindingDB Entry DOI: 10.7270/Q28056H6 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50584420
(CHEMBL5079566)Show SMILES CC(C)c1ccc(C)c(Oc2nccc(n2)-c2c(ncn2[C@@H]2CCN(CCN(C)C)C2)-c2ccc(cc2)C(F)(F)F)c1 |r| | PDB
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| Article PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01779 BindingDB Entry DOI: 10.7270/Q28056H6 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50251045
(CHEMBL4077274)Show SMILES CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cc(C)c(O)c(C)c1 Show InChI InChI=1S/C18H19N3O2S/c1-9-6-11(7-10(2)15(9)22)16-19-17(23)14-12-4-5-21(3)8-13(12)24-18(14)20-16/h6-7,22H,4-5,8H2,1-3H3,(H,19,20,23) | PDB
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| n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description Inhibition of human 6x-His-tagged BRD4 bromodomain 1 expressed in Escherichia coli |
J Med Chem 61: 9316-9334 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01248 BindingDB Entry DOI: 10.7270/Q25T3PRQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50365262
((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1 | PDB
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Similars
| Article PubMed
| n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description Inhibition of BRD4 bromodomain 2 (unknown origin) expressed in Escherichia coli Bl21(DE3) by fluorescence anisotropy |
J Med Chem 61: 9316-9334 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01248 BindingDB Entry DOI: 10.7270/Q25T3PRQ |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50584397
(CHEMBL5080722)Show SMILES Cc1cccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(I)cc2)c1 | PDB
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| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01779 BindingDB Entry DOI: 10.7270/Q28056H6 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50503386
(CHEMBL4441390)Show SMILES Cc1nnn(C2CCNCC2)c1-c1ccnc(Nc2cc(C)cc(C)c2)n1 Show InChI InChI=1S/C20H25N7/c1-13-10-14(2)12-16(11-13)23-20-22-9-6-18(24-20)19-15(3)25-26-27(19)17-4-7-21-8-5-17/h6,9-12,17,21H,4-5,7-8H2,1-3H3,(H,22,23,24) | PDB
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| Article PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description Inhibition of BRD4 C-terminal bromodomain 2 (unknown origin) expressed in Escherichia coli Bl21(DE3) by alpha-screen assay |
J Med Chem 61: 9316-9334 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01248 BindingDB Entry DOI: 10.7270/Q25T3PRQ |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50365262
((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1 | PDB
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| Article PubMed
| n/a | n/a | 590 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description Displacement of Fl-JQ1 from BRD4 C-terminal bromodomain 2 H437D mutant (unknown origin) expressed in Escherichia coli Bl21(DE3) by fluorescence polar... |
J Med Chem 61: 9316-9334 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01248 BindingDB Entry DOI: 10.7270/Q25T3PRQ |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50584391
(CHEMBL5085543)Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(Cl)cc2)c1 | PDB
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B.MOAD antibodypedia GoogleScholar AffyNet
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| Article PubMed
| n/a | n/a | 610 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01779 BindingDB Entry DOI: 10.7270/Q28056H6 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50584390
(CHEMBL5085763)Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(cc2)C(F)(F)F)c1 | PDB
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B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 640 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of BRD4 D1 (unknown origin) by alphascreen assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01779 BindingDB Entry DOI: 10.7270/Q28056H6 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50527819
(CHEMBL4557050 | US11117865, Compound ZL0516)Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@H](O)CN2CCN(C)CC2)c(C)c1 |r| Show InChI InChI=1S/C27H34N2O6/c1-17-10-19(23-14-22(31)26-24(33-5)12-21(32-4)13-25(26)35-23)11-18(2)27(17)34-16-20(30)15-29-8-6-28(3)7-9-29/h10-14,20,30H,6-9,15-16H2,1-5H3/t20-/m1/s1 | PDB
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| n/a | n/a | 720 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to BRD4 BD2 (unknown origin) by fluorescence anisotropy method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00933 BindingDB Entry DOI: 10.7270/Q2PR80VN |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM50503386
(CHEMBL4441390)Show SMILES Cc1nnn(C2CCNCC2)c1-c1ccnc(Nc2cc(C)cc(C)c2)n1 Show InChI InChI=1S/C20H25N7/c1-13-10-14(2)12-16(11-13)23-20-22-9-6-18(24-20)19-15(3)25-26-27(19)17-4-7-21-8-5-17/h6,9-12,17,21H,4-5,7-8H2,1-3H3,(H,22,23,24) | PDB
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| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 770 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description Inhibition of BRD3 N-terminal bromodomain 1 (unknown origin) expressed in Escherichia coli Bl21(DE3) by alpha-screen assay |
J Med Chem 61: 9316-9334 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01248 BindingDB Entry DOI: 10.7270/Q25T3PRQ |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50582037
(CHEMBL5094520)Show SMILES Cc1nnn(C2CCNCC2)c1-c1cccc(Oc2cc(Br)ccc2Br)n1 | PDB
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B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 790 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to BRD4 BD1 (unknown origin) by fluorescence anisotropy method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00933 BindingDB Entry DOI: 10.7270/Q2PR80VN |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50582041
(CHEMBL5080584)Show SMILES CN(C)CCN1CCC(CC1)n1nnc(C)c1-c1cccc(Oc2cc(Br)ccc2Br)n1 | PDB
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| Article PubMed
| n/a | n/a | 856 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to BRD4 BD2 (unknown origin) by fluorescence anisotropy method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00933 BindingDB Entry DOI: 10.7270/Q2PR80VN |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50584417
(CHEMBL5092030)Show SMILES CC(C)c1ccc(C)c(Oc2nccc(n2)-c2c(ncn2[C@H]2CCNC2)-c2ccc(cc2)C(F)(F)F)c1 |r| | PDB
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B.MOAD antibodypedia GoogleScholar AffyNet
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| Article PubMed
| n/a | n/a | 880 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01779 BindingDB Entry DOI: 10.7270/Q28056H6 |
More data for this Ligand-Target Pair | |