Found 615 hits of kd data for polymerid = 50006448,6885 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)) | BDBM50594436
(CHEMBL5170488)Show SMILES CCS(=O)(=O)Nc1ccc(OCCOCCOCCOCCOc2ccc(NS(=O)(=O)CC)cc2-c2cn(C)c(=O)c3ccccc23)c(c1)-c1cn(C)c(=O)c2ccccc12 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | 0.0950 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00453 BindingDB Entry DOI: 10.7270/Q2MG7THB |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50594436
(CHEMBL5170488)Show SMILES CCS(=O)(=O)Nc1ccc(OCCOCCOCCOCCOc2ccc(NS(=O)(=O)CC)cc2-c2cn(C)c(=O)c3ccccc23)c(c1)-c1cn(C)c(=O)c2ccccc12 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | 0.290 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00453 BindingDB Entry DOI: 10.7270/Q2MG7THB |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50148603
(CHEMBL3770724)Show InChI InChI=1S/C17H21N3O2/c1-12(21)18-9-4-5-11-20-14-7-3-2-6-13(14)16-15(20)8-10-19-17(16)22/h2-3,6-7H,4-5,8-11H2,1H3,(H,18,21)(H,19,22) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to human partial length BRD4 BD2 expressed in bacterial expression system assessed as dissociation constant by BROMOscan assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00933 BindingDB Entry DOI: 10.7270/Q2PR80VN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50594436
(CHEMBL5170488)Show SMILES CCS(=O)(=O)Nc1ccc(OCCOCCOCCOCCOc2ccc(NS(=O)(=O)CC)cc2-c2cn(C)c(=O)c3ccccc23)c(c1)-c1cn(C)c(=O)c2ccccc12 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | 0.320 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00453 BindingDB Entry DOI: 10.7270/Q2MG7THB |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM298350
(US10124009, Compound 5)Show SMILES Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)OCCCCCCO)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8| Show InChI InChI=1S/C25H29ClN4O3S/c1-15-16(2)34-25-22(15)23(18-8-10-19(26)11-9-18)27-20(24-29-28-17(3)30(24)25)14-21(32)33-13-7-5-4-6-12-31/h8-11,20,31H,4-7,12-14H2,1-3H3/t20-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 0.430 | n/a | n/a | n/a | n/a | n/a |
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me
Curated by ChEMBL
| Assay Description Inhibition of biotin-labeled acetylated peptide binding to BRD4 bromodomain 1 (unknown origin) expressed in Escherichia coli BL21 after 1 hr by BROMO... |
J Med Chem 60: 4533-4558 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50544597
(GSK778)Show SMILES COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC[C@H]4CCNC4)cc3c2n1[C@H](C)c1ccccc1 |r,wU:21.21,wD:30.35,(16.67,-5.18,;15.91,-6.52,;14.37,-6.52,;13.6,-7.86,;14.23,-9.26,;13.1,-10.29,;13.11,-11.84,;11.78,-12.61,;10.44,-11.84,;9.11,-12.62,;7.77,-11.85,;6.44,-12.61,;5.03,-11.99,;4.71,-10.48,;4,-13.13,;4.77,-14.47,;6.28,-14.15,;7.42,-15.18,;7.78,-10.31,;6.44,-9.54,;6.44,-8,;5.11,-7.23,;3.71,-7.86,;2.68,-6.71,;3.45,-5.38,;4.95,-5.7,;9.1,-9.54,;10.44,-10.3,;11.77,-9.53,;12.08,-8.03,;11.05,-6.88,;9.54,-7.21,;11.52,-5.42,;13.02,-5.1,;13.49,-3.64,;12.46,-2.5,;10.95,-2.83,;10.48,-4.29,)| Show InChI InChI=1S/C30H33N5O3/c1-18-29(20(3)38-34-18)24-12-25-23(13-27(24)37-16-21-10-11-31-14-21)30-26(15-32-25)33-28(17-36-4)35(30)19(2)22-8-6-5-7-9-22/h5-9,12-13,15,19,21,31H,10-11,14,16-17H2,1-4H3/t19-,21+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | 0.630 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to human partial length BRD4 BD2 expressed in bacterial expression system assessed as dissociation constant by BROMOscan assay |
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)) | BDBM50366670
(CHEMBL4173488)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cc(nn3C)C3CC3)c21 |(86.87,-46.33,;85.61,-45.43,;84.21,-46.07,;84.06,-47.6,;82.66,-48.24,;81.41,-47.34,;81.56,-45.82,;82.95,-45.18,;83.09,-43.65,;81.94,-42.63,;80.43,-42.97,;82.55,-41.22,;84.08,-41.36,;84.42,-42.87,;85.83,-43.48,;80.17,-48.26,;80.66,-49.73,;79.89,-51.06,;80.66,-52.39,;79.89,-53.73,;82.21,-52.4,;82.97,-51.06,;84.51,-51.06,;85.28,-52.39,;84.66,-53.8,;85.81,-54.83,;87.14,-54.06,;86.82,-52.56,;87.85,-51.41,;85.64,-56.36,;84.75,-57.61,;86.28,-57.77,;82.2,-49.71,)| Show InChI InChI=1S/C24H25N7O2/c1-11-21(12(2)33-30-11)16-8-18-15(9-19(16)32-5)22-23(27-18)25-13(3)26-24(22)28-20-10-17(14-6-7-14)29-31(20)4/h8-10,14H,6-7H2,1-5H3,(H2,25,26,27,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human BRD4 bromodomain 2 (K333 to E460 residues) expressed in bacterial expression system by BROMOscan assay |
J Med Chem 61: 6110-6120 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00483 BindingDB Entry DOI: 10.7270/Q26M39B1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50539801
(CHEMBL4648912 | US11840533, Compound 70)Show SMILES CCS(=O)(=O)Nc1cc(cc2n(ccc12)C(C)(c1ccccn1)c1ccccn1)-c1cn(C)c2c1cc[nH]c2=O Show InChI InChI=1S/C30H28N6O3S/c1-4-40(38,39)34-24-17-20(23-19-35(3)28-21(23)11-15-33-29(28)37)18-25-22(24)12-16-36(25)30(2,26-9-5-7-13-31-26)27-10-6-8-14-32-27/h5-19,34H,4H2,1-3H3,(H,33,37) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Binding affinity to human partial length BRD4 long isoform bromodomain 1 and 2 (N44 to E460 residues) expressed in bacterial expression system by BRO... |
J Med Chem 63: 7186-7210 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00456 BindingDB Entry DOI: 10.7270/Q2PK0KPP |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50539801
(CHEMBL4648912 | US11840533, Compound 70)Show SMILES CCS(=O)(=O)Nc1cc(cc2n(ccc12)C(C)(c1ccccn1)c1ccccn1)-c1cn(C)c2c1cc[nH]c2=O Show InChI InChI=1S/C30H28N6O3S/c1-4-40(38,39)34-24-17-20(23-19-35(3)28-21(23)11-15-33-29(28)37)18-25-22(24)12-16-36(25)30(2,26-9-5-7-13-31-26)27-10-6-8-14-32-27/h5-19,34H,4H2,1-3H3,(H,33,37) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Binding affinity to human partial length BRD4 bromodomain 2 long isoform (K333 to E460 residues) expressed in bacterial expression system by BROMOsca... |
J Med Chem 63: 7186-7210 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00456 BindingDB Entry DOI: 10.7270/Q2PK0KPP |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50539801
(CHEMBL4648912 | US11840533, Compound 70)Show SMILES CCS(=O)(=O)Nc1cc(cc2n(ccc12)C(C)(c1ccccn1)c1ccccn1)-c1cn(C)c2c1cc[nH]c2=O Show InChI InChI=1S/C30H28N6O3S/c1-4-40(38,39)34-24-17-20(23-19-35(3)28-21(23)11-15-33-29(28)37)18-25-22(24)12-16-36(25)30(2,26-9-5-7-13-31-26)27-10-6-8-14-32-27/h5-19,34H,4H2,1-3H3,(H,33,37) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Binding affinity to human full-length BRD4 short isoform (M1 to A722 residues) expressed in bacterial expression system by BROMOscan assay |
J Med Chem 63: 7186-7210 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00456 BindingDB Entry DOI: 10.7270/Q2PK0KPP |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50539801
(CHEMBL4648912 | US11840533, Compound 70)Show SMILES CCS(=O)(=O)Nc1cc(cc2n(ccc12)C(C)(c1ccccn1)c1ccccn1)-c1cn(C)c2c1cc[nH]c2=O Show InChI InChI=1S/C30H28N6O3S/c1-4-40(38,39)34-24-17-20(23-19-35(3)28-21(23)11-15-33-29(28)37)18-25-22(24)12-16-36(25)30(2,26-9-5-7-13-31-26)27-10-6-8-14-32-27/h5-19,34H,4H2,1-3H3,(H,33,37) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Binding affinity to human partial length BRD4 bromodomain 1 long isoform (N44 to E168 residues) expressed in bacterial expression system by BROMOscan... |
J Med Chem 63: 7186-7210 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00456 BindingDB Entry DOI: 10.7270/Q2PK0KPP |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50260087
(CHEMBL4098784)Show SMILES Cc1sc-2c(c1C)C(=N[C@H](CC(=O)OC1CCC(O)CC1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,wU:9.10,c:8,(16.13,-7.65,;17.67,-7.74,;18.62,-6.56,;20.03,-7.1,;19.95,-8.61,;18.49,-9.01,;17.94,-10.44,;21.04,-9.66,;22.5,-9.48,;23.34,-8.12,;24.88,-8.13,;25.64,-9.48,;24.85,-10.8,;27.18,-9.49,;27.95,-8.16,;29.49,-8.18,;30.27,-6.85,;29.51,-5.51,;30.3,-4.18,;27.97,-5.5,;27.19,-6.83,;22.81,-6.67,;23.71,-5.4,;22.78,-4.15,;21.31,-4.66,;20.05,-3.76,;21.33,-6.21,;20.55,-11.12,;19.03,-11.42,;18.55,-12.89,;19.57,-14.04,;19.08,-15.51,;21.09,-13.73,;21.57,-12.27,)| Show InChI InChI=1S/C25H27ClN4O3S/c1-13-14(2)34-25-22(13)23(16-4-6-17(26)7-5-16)27-20(24-29-28-15(3)30(24)25)12-21(32)33-19-10-8-18(31)9-11-19/h4-7,18-20,31H,8-12H2,1-3H3/t18?,19?,20-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a |
Chemical Biology Program, Department of Pharmacology and Toxicology,?Department of Internal Medicine,§Sealy Center for Molecular Medicine,?Institute for Translational Sciences, University of Texas Me
Curated by ChEMBL
| Assay Description Inhibition of biotin-labeled acetylated peptide binding to BRD4 bromodomain 1 (unknown origin) expressed in Escherichia coli BL21 after 1 hr by BROMO... |
J Med Chem 60: 4533-4558 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01761 BindingDB Entry DOI: 10.7270/Q27P91VQ |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50566697
(CHEMBL4862372)Show SMILES CNC(=O)c1cc(cc(n1)C(O)c1ccccc1)C(=O)N[C@H]1C[C@@H]1C |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to human partial length BRD4 BD 2 (K333 to E460 residues) expressed in bacterial expression system by BROMOscan assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02155 BindingDB Entry DOI: 10.7270/Q2JH3QXP |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM249277
(US10017501, Compound 1020-18 | US9458145, 1020-18)Show SMILES Cc1noc(C)c1-c1cc(-c2c(C)ccc3ncccc23)c2[nH]c(nc2c1)C1CC1 |(1.89,3.57,;.56,4.34,;.08,5.8,;-1.46,5.8,;-1.94,4.34,;-3.27,3.57,;-.69,3.44,;-.69,1.9,;.64,1.13,;.64,-.41,;1.98,-1.18,;3.31,-.41,;3.31,1.13,;4.65,-1.18,;4.65,-2.72,;3.31,-3.49,;3.31,-5.03,;1.98,-5.8,;.64,-5.03,;.64,-3.49,;1.98,-2.72,;-.69,-1.18,;-1.01,-2.69,;-2.54,-2.85,;-3.17,-1.45,;-2.02,-.41,;-2.02,1.13,;-3.31,-4.19,;-4.65,-4.96,;-3.31,-5.73,)| Show InChI InChI=1S/C25H22N4O/c1-13-6-9-20-18(5-4-10-26-20)22(13)19-11-17(23-14(2)29-30-15(23)3)12-21-24(19)28-25(27-21)16-7-8-16/h4-6,9-12,16H,7-8H2,1-3H3,(H,27,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to BRD4 bromodomain 1/2 (unknown origin) after 1 hr by bromoscan assay |
Bioorg Med Chem 27: 457-469 (2019)
Article DOI: 10.1016/j.bmc.2018.11.020 BindingDB Entry DOI: 10.7270/Q2HD7ZZ6 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50594440
(CHEMBL5206426)Show SMILES Cc1cnc(Nc2ccc(C(=O)NC3CCN(CC3)C(=O)CCOCCOCCOCCOCCOCCC(=O)N3CCC(CC3)NC(=O)c3ccc(Nc4ncc(C)c(Nc5ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c5)n4)cc3F)c(F)c2)nc1Nc1ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00453 BindingDB Entry DOI: 10.7270/Q2MG7THB |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM439497
(US10633379, Example 35 | US10633379, Example 82)Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cc(F)cc1C)C(C)(C)O Show InChI InChI=1S/C28H30FN3O4/c1-7-30-26(33)22-13-20-21(14-32(6)27(34)24(20)31-22)19-12-17(28(4,5)35)8-9-23(19)36-25-15(2)10-18(29)11-16(25)3/h8-14,31,35H,7H2,1-6H3,(H,30,33) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of BRD4-BD2 (unknown origin) assessed as dissociation constant by TR-FRET method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02168 BindingDB Entry DOI: 10.7270/Q20Z7752 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50594440
(CHEMBL5206426)Show SMILES Cc1cnc(Nc2ccc(C(=O)NC3CCN(CC3)C(=O)CCOCCOCCOCCOCCOCCC(=O)N3CCC(CC3)NC(=O)c3ccc(Nc4ncc(C)c(Nc5ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c5)n4)cc3F)c(F)c2)nc1Nc1ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00453 BindingDB Entry DOI: 10.7270/Q2MG7THB |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50527569
(CHEMBL4440098 | US11427593, Compound ZB-BD-216)Show SMILES CCS(=O)(=O)Cc1cnc(Oc2ccc(F)cc2F)c(c1)-c1cc(C)c2n1cc[nH]c2=O Show InChI InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)12-14-9-16(18-8-13(2)20-21(28)25-6-7-27(18)20)22(26-11-14)31-19-5-4-15(23)10-17(19)24/h4-11H,3,12H2,1-2H3,(H,25,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Binding affinity to human partial length BRD4 bromodomain 2 long isoform (K333 to E460 residues) expressed in bacterial expression system by BROMOsca... |
J Med Chem 63: 3956-3975 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01784 BindingDB Entry DOI: 10.7270/Q2V98CHS |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50594441
(CHEMBL5188470)Show SMILES Cc1cnc(Nc2ccc(C(=O)NC3CCN(CC3)C(=O)CCOCCOCCOCCNC(=O)c3cc(Nc4nc(Nc5ccc(C(=O)NC6CCNCC6)c(F)c5)ncc4C)cc(NS(=O)(=O)C(C)(C)C)c3)c(F)c2)nc1Nc1ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00453 BindingDB Entry DOI: 10.7270/Q2MG7THB |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM179481
(US9675697, Cpd. No. 73)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccnc4ccccc34)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.31,1.22,;1.84,1.69,;1.52,3.2,;2.66,4.23,;4.13,3.75,;5.27,4.79,;6.74,4.31,;7.06,2.8,;5.91,1.77,;4.45,2.25,;2.46,-1.17,)| Show InChI InChI=1S/C26H21N5O2/c1-13-23(14(2)33-31-13)19-11-21-18(12-22(19)32-4)24-25(28-15(3)29-26(24)30-21)17-9-10-27-20-8-6-5-7-16(17)20/h5-12H,1-4H3,(H,28,29,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Binding affinity to human partial length BRD4 bromodomain 1/2 long isoform (N44 to E460 residues) expressed in bacterial expression system by BROMOsc... |
J Med Chem 60: 3887-3901 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00193 BindingDB Entry DOI: 10.7270/Q28W3GWN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50593635
(CHEMBL5205867)Show SMILES C[C@H]1C[C@@H](Nc2ccc(cc2)C#N)c2cc(ccc2N1C(C)=O)-c1cc[nH]n1 |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM179481
(US9675697, Cpd. No. 73)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccnc4ccccc34)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.31,1.22,;1.84,1.69,;1.52,3.2,;2.66,4.23,;4.13,3.75,;5.27,4.79,;6.74,4.31,;7.06,2.8,;5.91,1.77,;4.45,2.25,;2.46,-1.17,)| Show InChI InChI=1S/C26H21N5O2/c1-13-23(14(2)33-31-13)19-11-21-18(12-22(19)32-4)24-25(28-15(3)29-26(24)30-21)17-9-10-27-20-8-6-5-7-16(17)20/h5-12H,1-4H3,(H,28,29,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Binding affinity to human partial length BRD4 bromodomain 2 long isoform (K333 to E460 residues) expressed in bacterial expression system by BROMOsca... |
J Med Chem 60: 3887-3901 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00193 BindingDB Entry DOI: 10.7270/Q28W3GWN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50593635
(CHEMBL5205867)Show SMILES C[C@H]1C[C@@H](Nc2ccc(cc2)C#N)c2cc(ccc2N1C(C)=O)-c1cc[nH]n1 |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01835 BindingDB Entry DOI: 10.7270/Q2V98D2C |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50593635
(CHEMBL5205867)Show SMILES C[C@H]1C[C@@H](Nc2ccc(cc2)C#N)c2cc(ccc2N1C(C)=O)-c1cc[nH]n1 |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description pA2 for NK2 receptor of rabbit pulmonary artery |
Citation and Details
|
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50610593
(CHEMBL5265827) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| UniChem
| | n/a | n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM439497
(US10633379, Example 35 | US10633379, Example 82)Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cc(F)cc1C)C(C)(C)O Show InChI InChI=1S/C28H30FN3O4/c1-7-30-26(33)22-13-20-21(14-32(6)27(34)24(20)31-22)19-12-17(28(4,5)35)8-9-23(19)36-25-15(2)10-18(29)11-16(25)3/h8-14,31,35H,7H2,1-6H3,(H,30,33) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to human partial length BRD4 BD2 expressed in bacterial expression system assessed as dissociation constant by BROMOscan assay |
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)) | BDBM50366670
(CHEMBL4173488)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cc(nn3C)C3CC3)c21 |(86.87,-46.33,;85.61,-45.43,;84.21,-46.07,;84.06,-47.6,;82.66,-48.24,;81.41,-47.34,;81.56,-45.82,;82.95,-45.18,;83.09,-43.65,;81.94,-42.63,;80.43,-42.97,;82.55,-41.22,;84.08,-41.36,;84.42,-42.87,;85.83,-43.48,;80.17,-48.26,;80.66,-49.73,;79.89,-51.06,;80.66,-52.39,;79.89,-53.73,;82.21,-52.4,;82.97,-51.06,;84.51,-51.06,;85.28,-52.39,;84.66,-53.8,;85.81,-54.83,;87.14,-54.06,;86.82,-52.56,;87.85,-51.41,;85.64,-56.36,;84.75,-57.61,;86.28,-57.77,;82.2,-49.71,)| Show InChI InChI=1S/C24H25N7O2/c1-11-21(12(2)33-30-11)16-8-18-15(9-19(16)32-5)22-23(27-18)25-13(3)26-24(22)28-20-10-17(14-6-7-14)29-31(20)4/h8-10,14H,6-7H2,1-5H3,(H2,25,26,27,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human BRD4 bromodomain 1 (N44 to E168 residues) expressed in bacterial expression system by BROMOscan assay |
J Med Chem 61: 6110-6120 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00483 BindingDB Entry DOI: 10.7270/Q26M39B1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50594435
(CHEMBL5184876)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2)c(c1)-c1cn(C)c(=O)c2ccccc12 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00453 BindingDB Entry DOI: 10.7270/Q2MG7THB |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM249277
(US10017501, Compound 1020-18 | US9458145, 1020-18)Show SMILES Cc1noc(C)c1-c1cc(-c2c(C)ccc3ncccc23)c2[nH]c(nc2c1)C1CC1 |(1.89,3.57,;.56,4.34,;.08,5.8,;-1.46,5.8,;-1.94,4.34,;-3.27,3.57,;-.69,3.44,;-.69,1.9,;.64,1.13,;.64,-.41,;1.98,-1.18,;3.31,-.41,;3.31,1.13,;4.65,-1.18,;4.65,-2.72,;3.31,-3.49,;3.31,-5.03,;1.98,-5.8,;.64,-5.03,;.64,-3.49,;1.98,-2.72,;-.69,-1.18,;-1.01,-2.69,;-2.54,-2.85,;-3.17,-1.45,;-2.02,-.41,;-2.02,1.13,;-3.31,-4.19,;-4.65,-4.96,;-3.31,-5.73,)| Show InChI InChI=1S/C25H22N4O/c1-13-6-9-20-18(5-4-10-26-20)22(13)19-11-17(23-14(2)29-30-15(23)3)12-21-24(19)28-25(27-21)16-7-8-16/h4-6,9-12,16H,7-8H2,1-3H3,(H,27,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to full length BRD4 short isoform (unknown origin) after 1 hr by bromoscan assay |
Bioorg Med Chem 27: 457-469 (2019)
Article DOI: 10.1016/j.bmc.2018.11.020 BindingDB Entry DOI: 10.7270/Q2HD7ZZ6 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50594439
(CHEMBL5178175)Show SMILES Cc1cnc(Nc2ccc(C(=O)NC3CCN(CC3)C(=O)CCOCCOCCOCCOCCC(=O)N3CCC(CC3)NC(=O)c3ccc(Nc4ncc(C)c(Nc5ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c5)n4)cc3F)c(F)c2)nc1Nc1ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00453 BindingDB Entry DOI: 10.7270/Q2MG7THB |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM249277
(US10017501, Compound 1020-18 | US9458145, 1020-18)Show SMILES Cc1noc(C)c1-c1cc(-c2c(C)ccc3ncccc23)c2[nH]c(nc2c1)C1CC1 |(1.89,3.57,;.56,4.34,;.08,5.8,;-1.46,5.8,;-1.94,4.34,;-3.27,3.57,;-.69,3.44,;-.69,1.9,;.64,1.13,;.64,-.41,;1.98,-1.18,;3.31,-.41,;3.31,1.13,;4.65,-1.18,;4.65,-2.72,;3.31,-3.49,;3.31,-5.03,;1.98,-5.8,;.64,-5.03,;.64,-3.49,;1.98,-2.72,;-.69,-1.18,;-1.01,-2.69,;-2.54,-2.85,;-3.17,-1.45,;-2.02,-.41,;-2.02,1.13,;-3.31,-4.19,;-4.65,-4.96,;-3.31,-5.73,)| Show InChI InChI=1S/C25H22N4O/c1-13-6-9-20-18(5-4-10-26-20)22(13)19-11-17(23-14(2)29-30-15(23)3)12-21-24(19)28-25(27-21)16-7-8-16/h4-6,9-12,16H,7-8H2,1-3H3,(H,27,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to human partial length BRD4 bromodomain 1 long isoform (N44 to E168 residues) expressed in bacterial expression system after 1 hr b... |
Bioorg Med Chem 27: 457-469 (2019)
Article DOI: 10.1016/j.bmc.2018.11.020 BindingDB Entry DOI: 10.7270/Q2HD7ZZ6 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50527569
(CHEMBL4440098 | US11427593, Compound ZB-BD-216)Show SMILES CCS(=O)(=O)Cc1cnc(Oc2ccc(F)cc2F)c(c1)-c1cc(C)c2n1cc[nH]c2=O Show InChI InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)12-14-9-16(18-8-13(2)20-21(28)25-6-7-27(18)20)22(26-11-14)31-19-5-4-15(23)10-17(19)24/h4-11H,3,12H2,1-2H3,(H,25,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Binding affinity to human partial length BRD4 bromodomain 1 long isoform (N44 to E168 residues) expressed in bacterial expression system by BROMOscan... |
J Med Chem 63: 3956-3975 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01784 BindingDB Entry DOI: 10.7270/Q2V98CHS |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50594439
(CHEMBL5178175)Show SMILES Cc1cnc(Nc2ccc(C(=O)NC3CCN(CC3)C(=O)CCOCCOCCOCCOCCC(=O)N3CCC(CC3)NC(=O)c3ccc(Nc4ncc(C)c(Nc5ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c5)n4)cc3F)c(F)c2)nc1Nc1ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00453 BindingDB Entry DOI: 10.7270/Q2MG7THB |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50459878
(CHEMBL4227834)Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(=O)NCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C |r| Show InChI InChI=1S/C53H62ClN7O8S/c1-32-25-44(58-41-18-16-40(54)17-19-41)43-26-39(15-20-45(43)61(32)34(3)62)36-11-13-38(14-12-36)50(65)55-21-22-68-23-24-69-30-47(64)59-49(53(4,5)6)52(67)60-29-42(63)27-46(60)51(66)56-28-35-7-9-37(10-8-35)48-33(2)57-31-70-48/h7-20,26,31-32,42,44,46,49,58,63H,21-25,27-30H2,1-6H3,(H,55,65)(H,56,66)(H,59,64)/t32-,42+,44+,46-,49+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description Binding affinity to N-terminal His6-tagged recombinant human Brd4 BD2 expressed in Escherichia coli BL21 (DE3) assessed as compound binary complex fo... |
J Med Chem 61: 504-513 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01912 BindingDB Entry DOI: 10.7270/Q2R49TC3 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50594438
(CHEMBL5201173)Show SMILES Cc1cnc(Nc2ccc(C(=O)NC3CCN(CC3)C(=O)COCCOCC(=O)N3CCC(CC3)NC(=O)c3ccc(Nc4ncc(C)c(Nc5ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c5)n4)cc3F)c(F)c2)nc1Nc1ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00453 BindingDB Entry DOI: 10.7270/Q2MG7THB |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50594441
(CHEMBL5188470)Show SMILES Cc1cnc(Nc2ccc(C(=O)NC3CCN(CC3)C(=O)CCOCCOCCOCCNC(=O)c3cc(Nc4nc(Nc5ccc(C(=O)NC6CCNCC6)c(F)c5)ncc4C)cc(NS(=O)(=O)C(C)(C)C)c3)c(F)c2)nc1Nc1ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00453 BindingDB Entry DOI: 10.7270/Q2MG7THB |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM249277
(US10017501, Compound 1020-18 | US9458145, 1020-18)Show SMILES Cc1noc(C)c1-c1cc(-c2c(C)ccc3ncccc23)c2[nH]c(nc2c1)C1CC1 |(1.89,3.57,;.56,4.34,;.08,5.8,;-1.46,5.8,;-1.94,4.34,;-3.27,3.57,;-.69,3.44,;-.69,1.9,;.64,1.13,;.64,-.41,;1.98,-1.18,;3.31,-.41,;3.31,1.13,;4.65,-1.18,;4.65,-2.72,;3.31,-3.49,;3.31,-5.03,;1.98,-5.8,;.64,-5.03,;.64,-3.49,;1.98,-2.72,;-.69,-1.18,;-1.01,-2.69,;-2.54,-2.85,;-3.17,-1.45,;-2.02,-.41,;-2.02,1.13,;-3.31,-4.19,;-4.65,-4.96,;-3.31,-5.73,)| Show InChI InChI=1S/C25H22N4O/c1-13-6-9-20-18(5-4-10-26-20)22(13)19-11-17(23-14(2)29-30-15(23)3)12-21-24(19)28-25(27-21)16-7-8-16/h4-6,9-12,16H,7-8H2,1-3H3,(H,27,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to human partial length BRD4 bromodomain 2 long isoform (K333 to E460 residues) expressed in bacterial expression system after 1 hr ... |
Bioorg Med Chem 27: 457-469 (2019)
Article DOI: 10.1016/j.bmc.2018.11.020 BindingDB Entry DOI: 10.7270/Q2HD7ZZ6 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50148603
(CHEMBL3770724)Show InChI InChI=1S/C17H21N3O2/c1-12(21)18-9-4-5-11-20-14-7-3-2-6-13(14)16-15(20)8-10-19-17(16)22/h2-3,6-7H,4-5,8-11H2,1H3,(H,18,21)(H,19,22) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to BRD4 BD1 (unknown origin) assessed as dissociation constant by Discover X assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00933 BindingDB Entry DOI: 10.7270/Q2PR80VN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50092312
(Birabresib | MK-8628 | OTX-015)Show SMILES [H][C@@]1(CC(=O)Nc2ccc(O)cc2)N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C25H22ClN5O2S/c1-13-14(2)34-25-22(13)23(16-4-6-17(26)7-5-16)28-20(24-30-29-15(3)31(24)25)12-21(33)27-18-8-10-19(32)11-9-18/h4-11,20,32H,12H2,1-3H3,(H,27,33)/t20-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| PDB
| n/a | n/a | n/a | 3.5 | 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 4
(Homo sapiens (Human)) | BDBM50515771
(CHEMBL4528047)Show SMILES Cc1nnc2CC[C@@H](Nc3ccc(Cl)cc3)c3cc(ccc3-n12)-c1cnn(C)c1 |r| Show InChI InChI=1S/C22H21ClN6/c1-14-26-27-22-10-8-20(25-18-6-4-17(23)5-7-18)19-11-15(3-9-21(19)29(14)22)16-12-24-28(2)13-16/h3-7,9,11-13,20,25H,8,10H2,1-2H3/t20-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a |
University of Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Binding affinity to human partial length BRD4 BD2 isoform long (K333 to E460 residues) expressed in bacterial expression system by bromoscan assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111633 BindingDB Entry DOI: 10.7270/Q2MK6H84 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50594438
(CHEMBL5201173)Show SMILES Cc1cnc(Nc2ccc(C(=O)NC3CCN(CC3)C(=O)COCCOCC(=O)N3CCC(CC3)NC(=O)c3ccc(Nc4ncc(C)c(Nc5ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c5)n4)cc3F)c(F)c2)nc1Nc1ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00453 BindingDB Entry DOI: 10.7270/Q2MG7THB |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50594435
(CHEMBL5184876)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2)c(c1)-c1cn(C)c(=O)c2ccccc12 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00453 BindingDB Entry DOI: 10.7270/Q2MG7THB |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50594435
(CHEMBL5184876)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2)c(c1)-c1cn(C)c(=O)c2ccccc12 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00453 BindingDB Entry DOI: 10.7270/Q2MG7THB |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50594438
(CHEMBL5201173)Show SMILES Cc1cnc(Nc2ccc(C(=O)NC3CCN(CC3)C(=O)COCCOCC(=O)N3CCC(CC3)NC(=O)c3ccc(Nc4ncc(C)c(Nc5ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c5)n4)cc3F)c(F)c2)nc1Nc1ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00453 BindingDB Entry DOI: 10.7270/Q2MG7THB |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50459876
(CHEMBL4229193)Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C |r| Show InChI InChI=1S/C55H66ClN7O9S/c1-34-27-46(60-43-18-16-42(56)17-19-43)45-28-41(15-20-47(45)63(34)36(3)64)38-11-13-40(14-12-38)52(67)57-21-22-70-23-24-71-25-26-72-32-49(66)61-51(55(4,5)6)54(69)62-31-44(65)29-48(62)53(68)58-30-37-7-9-39(10-8-37)50-35(2)59-33-73-50/h7-20,28,33-34,44,46,48,51,60,65H,21-27,29-32H2,1-6H3,(H,57,67)(H,58,68)(H,61,66)/t34-,44+,46+,48-,51+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description Binding affinity to N-terminal His6-tagged recombinant human Brd4 BD2 expressed in Escherichia coli BL21 (DE3) assessed as compound binary complex fo... |
J Med Chem 61: 504-513 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01912 BindingDB Entry DOI: 10.7270/Q2R49TC3 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50028142
(CHEMBL2177300)Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Binding affinity to His6-tagged BRD4 (1 to 477 aa) (unknown origin) by ITC method |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50594440
(CHEMBL5206426)Show SMILES Cc1cnc(Nc2ccc(C(=O)NC3CCN(CC3)C(=O)CCOCCOCCOCCOCCOCCC(=O)N3CCC(CC3)NC(=O)c3ccc(Nc4ncc(C)c(Nc5ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c5)n4)cc3F)c(F)c2)nc1Nc1ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00453 BindingDB Entry DOI: 10.7270/Q2MG7THB |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50594437
(CHEMBL5204093)Show SMILES Cc1cnc(Nc2ccc(C(=O)NC3CCN(CC3)C(=O)COCCOCCOCC(=O)N3CCC(CC3)NC(=O)c3ccc(Nc4ncc(C)c(Nc5ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c5)n4)cc3F)c(F)c2)nc1Nc1ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00453 BindingDB Entry DOI: 10.7270/Q2MG7THB |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50526964
(CHEMBL4438171)Show SMILES COCC(COC)n1c(nc2cc(ccc12)N1CCOCC1)-c1cc(C)c(=O)n(C)c1 Show InChI InChI=1S/C23H30N4O4/c1-16-11-17(13-25(2)23(16)28)22-24-20-12-18(26-7-9-31-10-8-26)5-6-21(20)27(22)19(14-29-3)15-30-4/h5-6,11-13,19H,7-10,14-15H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a |
GSK
Curated by ChEMBL
| Assay Description Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant incubated... |
J Med Chem 63: 714-746 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01670 BindingDB Entry DOI: 10.7270/Q2TF01RT |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50603097
(CHEMBL5195288)Show SMILES C[C@H]1C[C@@H](Nc2ncc(Cl)cn2)c2cc(ccc2N1C(C)=O)C(N)=O |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01747 BindingDB Entry DOI: 10.7270/Q23B646M |
More data for this Ligand-Target Pair | |