Found 183 hits of kd data for polymerid = 6886 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 2
(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
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Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human partial length BRD2 bromodomain 2 isoform 1 (E348 to D455 residues) expressed in bacterial expression system after 1 hr by ... |
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 2
(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
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TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human BRD2 bromodomain 2 (E348 to D455 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 | |
Bromodomain-containing protein 2
(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
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University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to human partial length BRD2 bromodomain 2 isoform 1 (349 to 460 residues) expressed in bacterial expression system by BROMOscan ass... |
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 | |
Bromodomain-containing protein 2
(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
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University of Illinois at Chicago
Curated by ChEMBL
| Assay Description
Binding affinity to human partial length BRD2 bromodomain 1 isoform 1(K71 to N194 residues) expressed in bacterial expression system by BROMOscan ass... |
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 2
(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
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University of Illinois at Chicago
Curated by ChEMBL
| Assay Description
Binding affinity to human partial length BRD2 bromodomain 2 isoform 1 (E348 to D455 residues) expressed in bacterial expression system by BROMOscan a... |
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 2
(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
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University of Illinois at Chicago
Curated by ChEMBL
| Assay Description
Binding affinity to human BRD2 isoform 1 bromodomain 1 and 2 (K71 to D455 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 2
(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
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University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to human partial length BRD2 bromodomain 1/2 isoform 1 (K71 to D455 residues) by BROMOscan assay |
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 | |
Bromodomain-containing protein 2
(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
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TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human BRD2 bromodomain 1 (K71 to N194 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 | |
Bromodomain-containing protein 2
(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
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| n/a | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to BRD2 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 2
(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
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University of Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Binding affinity to human partial length BRD2 BD2 isoform 1 (E348 to D455 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 2
(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
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| n/a | n/a | n/a | 1.30 | 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 BRD2 BD2 isoform 1 (E348 to D455 residues) expressed in bacterial expression system by bromoscan assay |
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 2
(Homo sapiens (Human)) | CHEMBL5273240
| PDB
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TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2
(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
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Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human partial length BRD2 bromodomain 1 long isoform (K71 to N194 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 2
(Homo sapiens (Human)) | BDBM50560174
(GSK789)Show SMILES CN1CC[C@@H](Nc2ncc(-c3ccco3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)C(=O)NC1CCCCC1 | PDB
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TBA
| Assay Description
Binding affinity to full length BRD2 BD1 in human HuT78 cell lysates incubated for 45 mins by liquid chromatography-mass spectrometry based chemoprot... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00614
BindingDB Entry DOI: 10.7270/Q27D2ZVG |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2
(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
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University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to human partial length BRD2 bromodomain 1 long isoform (72 to 205 residues) expressed in bacterial expression system by BROMOscan a... |
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 | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM50581595
(CHEMBL4215078)Show SMILES C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)COCCCOCCNC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r,c:31| | PDB
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TBA
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Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | CHEMBL5273240
| PDB
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TBA
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Ligand-Target Pair | |
Bromodomain-containing protein 2
(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
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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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University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to biotinylated BRD2 BD2 (349 to 460 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells by bio-layer interferomet... |
J Med Chem 58: 4927-39 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00613
BindingDB Entry DOI: 10.7270/Q2XD13FK |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2
(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
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TBA
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01747
BindingDB Entry DOI: 10.7270/Q23B646M |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM449844
(1,3-dimethyl-5-[2-tetrahydropyran-4-yl-3-[2-(trifl...)Show SMILES Cc1cc(cn(C)c1=O)-c1ccc2nc(C3CCOCC3)n(CCOC(F)(F)F)c2c1 Show InChI InChI=1S/C22H24F3N3O3/c1-14-11-17(13-27(2)21(14)29)16-3-4-18-19(12-16)28(7-10-31-22(23,24)25)20(26-18)15-5-8-30-9-6-15/h3-4,11-13,15H,5-10H2,1-2H3 | PDB
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Ligand-Target Pair | |
Bromodomain-containing protein 2
(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
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TBA
| Assay Description
Binding affinity to human partial length BRD2 BD 2 (E348 to D455 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 2
(Homo sapiens (Human)) | CHEMBL5269983
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)S(=O)(=O)c1no[n+]([O-])c1-c1ccccc1 Show InChI InChI=1S/C22H23N7O6S/c1-33-17-12-15-16(13-18(17)34-2)24-22(25-20(15)23)27-8-10-28(11-9-27)36(31,32)21-19(29(30)35-26-21)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H2,23,24,25) | PDB
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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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University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to biotinylated BRD2 BD1 (72 to 205 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells by bio-layer interferometr... |
J Med Chem 58: 4927-39 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00613
BindingDB Entry DOI: 10.7270/Q2XD13FK |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM50452556
(CHEMBL4210405 | US11028051, Cmpd 53)Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccsc1 |r| Show InChI InChI=1S/C20H24N2O3S/c1-12(2)25-20(24)21-18-9-13(3)22(14(4)23)19-6-5-15(10-17(18)19)16-7-8-26-11-16/h5-8,10-13,18H,9H2,1-4H3,(H,21,24)/t13-,18+/m0/s1 | PDB
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St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description
Binding affinity to BRD2 bromodomain 2 (348 to 455 residues) (unknown origin) by ITC |
Bioorg Med Chem 26: 25-36 (2018)
Article DOI: 10.1016/j.bmc.2017.10.042
BindingDB Entry DOI: 10.7270/Q2B56NB2 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM50365264
(CHEMBL1738926)Show SMILES Cc1nnc2[C@H](NC(=O)OCc3ccccc3)N=C(c3ccccc3)c3ccccc3-n12 |r,t:18| Show InChI InChI=1S/C25H21N5O2/c1-17-28-29-24-23(27-25(31)32-16-18-10-4-2-5-11-18)26-22(19-12-6-3-7-13-19)20-14-8-9-15-21(20)30(17)24/h2-15,23H,16H2,1H3,(H,27,31)/t23-/m0/s1 | PDB
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GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description
Binding affinity to N-terminal portion of human Brd2 containing bromodomain BD12 expressed in Escherichia coli by isothermal titration calorimetric a... |
J Med Chem 54: 3827-38 (2011)
Article DOI: 10.1021/jm200108t
BindingDB Entry DOI: 10.7270/Q2GB2541 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM50452557
(CHEMBL4206677 | US11028051, Cmpd 55)Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1cc[nH]c1 |r| Show InChI InChI=1S/C20H25N3O3/c1-12(2)26-20(25)22-18-9-13(3)23(14(4)24)19-6-5-15(10-17(18)19)16-7-8-21-11-16/h5-8,10-13,18,21H,9H2,1-4H3,(H,22,25)/t13-,18+/m0/s1 | PDB
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St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description
Binding affinity to BRD2 bromodomain 2 (348 to 455 residues) (unknown origin) by ITC |
Bioorg Med Chem 26: 25-36 (2018)
Article DOI: 10.1016/j.bmc.2017.10.042
BindingDB Entry DOI: 10.7270/Q2B56NB2 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM50560174
(GSK789)Show SMILES CN1CC[C@@H](Nc2ncc(-c3ccco3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)C(=O)NC1CCCCC1 | PDB
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TBA
| Assay Description
Binding affinity to human partial length BRD2 bromodomain 1 long isoform (K71 to N194 residues) expressed in bacterial expression system by BROMOscan... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00614
BindingDB Entry DOI: 10.7270/Q27D2ZVG |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM50452552
(CHEMBL4205876 | US11028051, Cmpd 52)Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1cccs1 |r| Show InChI InChI=1S/C20H24N2O3S/c1-12(2)25-20(24)21-17-10-13(3)22(14(4)23)18-8-7-15(11-16(17)18)19-6-5-9-26-19/h5-9,11-13,17H,10H2,1-4H3,(H,21,24)/t13-,17+/m0/s1 | PDB
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St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description
Binding affinity to BRD2 bromodomain 2 (348 to 455 residues) (unknown origin) by ITC |
Bioorg Med Chem 26: 25-36 (2018)
Article DOI: 10.1016/j.bmc.2017.10.042
BindingDB Entry DOI: 10.7270/Q2B56NB2 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2
(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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TBA
| Assay Description
Binding affinity to human partial length BRD2 BD1 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 2
(Homo sapiens (Human)) | BDBM50466254
(CHEMBL4288569)Show SMILES CN(C)CCN1CCN(CC1)c1nc(NCc2cccc(Cl)c2)c2cc(ccc2n1)-c1ccc(=O)n(C)c1 Show InChI InChI=1S/C29H34ClN7O/c1-34(2)11-12-36-13-15-37(16-14-36)29-32-26-9-7-22(23-8-10-27(38)35(3)20-23)18-25(26)28(33-29)31-19-21-5-4-6-24(30)17-21/h4-10,17-18,20H,11-16,19H2,1-3H3,(H,31,32,33) | PDB
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National Institutes of Health
Curated by ChEMBL
| Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD2 isoform 1 bromodomain 2 (E348 to D455 residues) expressed ... |
Bioorg Med Chem Lett 28: 3483-3488 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM50604624
(CHEMBL5206088)Show SMILES Cc1cc(F)cc(C)c1Oc1ccc(cc1-c1cn(C)c(=O)c2cc(oc12)-c1cnc([nH]1)C1CCCC1)C(C)(C)O | PDB
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TBA
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00100
BindingDB Entry DOI: 10.7270/Q2QJ7NBN |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2
(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
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GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description
Binding affinity to His6-tagged BRD2 (1 to 473 aa) (unknown origin) by SPR 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 2
(Homo sapiens (Human)) | BDBM50365463
(CHEMBL1232461)Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7| Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1 | PDB
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TBA
| Assay Description
Binding affinity to human partial length BRD2-BD2 (E348 to D455 residues) expressed in bacterial expression system by BROMOscan method |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM50587252
(CHEMBL5083849)Show SMILES Cc1[nH]c(C(=O)Nc2cc(ccc2OCCCCCCCC(=O)NO)S(=O)(=O)N2CCOCC2)c2CCCCC(=O)c12 | PDB
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TBA
| Assay Description
Binding affinity to human BRD2 domain 1 assessed as dissociation constant by isothermal titration calorimetry assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM50466254
(CHEMBL4288569)Show SMILES CN(C)CCN1CCN(CC1)c1nc(NCc2cccc(Cl)c2)c2cc(ccc2n1)-c1ccc(=O)n(C)c1 Show InChI InChI=1S/C29H34ClN7O/c1-34(2)11-12-36-13-15-37(16-14-36)29-32-26-9-7-22(23-8-10-27(38)35(3)20-23)18-25(26)28(33-29)31-19-21-5-4-6-24(30)17-21/h4-10,17-18,20H,11-16,19H2,1-3H3,(H,31,32,33) | PDB
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National Institutes of Health
Curated by ChEMBL
| Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD2 isoform 1 bromodomain 1/2 (K71 to D455 residues) expressed... |
Bioorg Med Chem Lett 28: 3483-3488 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM50092310
(CHEMBL3581661 | US9675697, Cpd. No. 23)Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)[nH]nc3C3CC3)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-3.96,4.12,;-5.16,3.71,;-3.48,5.64,;-1.89,5.66,;-1.38,4.15,;.14,3.67,;1.21,2.62,;1.55,4.18,;-1.3,.87,)| Show InChI InChI=1S/C24H23N5O2/c1-11-21(23(28-27-11)14-5-6-14)24-22-15-10-19(30-4)16(20-12(2)29-31-13(20)3)9-18(15)26-17(22)7-8-25-24/h7-10,14,26H,5-6H2,1-4H3,(H,27,28) | PDB
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University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to biotinylated BRD2 BD2 (349 to 460 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells by bio-layer interferomet... |
J Med Chem 58: 4927-39 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00613
BindingDB Entry DOI: 10.7270/Q2XD13FK |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM50455480
(CHEMBL4218735)Show SMILES CC(=O)N1[C@H](CN(Cc2ccccc2CO)c2cc(ccc12)C1=CCNCC1)C1CC1 |r,t:25| Show InChI InChI=1S/C26H31N3O2/c1-18(31)29-24-9-8-21(19-10-12-27-13-11-19)14-25(24)28(16-26(29)20-6-7-20)15-22-4-2-3-5-23(22)17-30/h2-5,8-10,14,20,26-27,30H,6-7,11-13,15-17H2,1H3/t26-/m1/s1 | PDB
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University of Strathclyde
Curated by ChEMBL
| Assay Description
Binding affinity to human partial length DNA-tagged BRD2 isoform 1 BD2 expressed in bacterial by BROMOscan method |
J Med Chem 61: 4317-4334 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01666
BindingDB Entry DOI: 10.7270/Q27H1N6W |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM50466254
(CHEMBL4288569)Show SMILES CN(C)CCN1CCN(CC1)c1nc(NCc2cccc(Cl)c2)c2cc(ccc2n1)-c1ccc(=O)n(C)c1 Show InChI InChI=1S/C29H34ClN7O/c1-34(2)11-12-36-13-15-37(16-14-36)29-32-26-9-7-22(23-8-10-27(38)35(3)20-23)18-25(26)28(33-29)31-19-21-5-4-6-24(30)17-21/h4-10,17-18,20H,11-16,19H2,1-3H3,(H,31,32,33) | PDB
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National Institutes of Health
Curated by ChEMBL
| Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD2 isoform 1 bromodomain 1 (K71 to N194 residues) expressed i... |
Bioorg Med Chem Lett 28: 3483-3488 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM50581595
(CHEMBL4215078)Show SMILES C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)COCCCOCCNC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r,c:31| | PDB
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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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TBA
| Assay Description
Binding affinity to BRD2 D1 (unknown origin) assessed as dissociation constant by isothermal titration calorimetry |
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)) | BDBM50452553
(CHEMBL4202664 | US11028051, Cmpd 54)Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccc[nH]1 |r| Show InChI InChI=1S/C20H25N3O3/c1-12(2)26-20(25)22-18-10-13(3)23(14(4)24)19-8-7-15(11-16(18)19)17-6-5-9-21-17/h5-9,11-13,18,21H,10H2,1-4H3,(H,22,25)/t13-,18+/m0/s1 | PDB
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St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description
Binding affinity to BRD2 bromodomain 2 (348 to 455 residues) (unknown origin) by ITC |
Bioorg Med Chem 26: 25-36 (2018)
Article DOI: 10.1016/j.bmc.2017.10.042
BindingDB Entry DOI: 10.7270/Q2B56NB2 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM50380664
(CHEMBL2017287)Show SMILES COc1cc2c3n(C(C)c4ccccc4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |(-7.28,-41.44,;-7.28,-42.98,;-5.94,-43.75,;-4.62,-42.98,;-3.28,-43.74,;-1.95,-42.97,;-1.65,-41.47,;-2.42,-40.14,;-3.96,-40.14,;-1.65,-38.8,;-.11,-38.81,;.66,-37.48,;-.11,-36.14,;-1.66,-36.14,;-2.42,-37.48,;-.13,-41.29,;.63,-39.95,;.51,-42.69,;-.62,-43.72,;-.61,-45.28,;-1.94,-46.05,;-3.28,-45.29,;-4.61,-46.07,;-5.95,-45.29,;-7.28,-46.06,;-7.32,-47.61,;-6.09,-48.54,;-8.79,-48.05,;-9.67,-46.79,;-8.74,-45.56,;-9.19,-44.09,)| Show InChI InChI=1S/C24H22N4O3/c1-13-22(15(3)31-27-13)18-10-19-17(11-21(18)30-4)23-20(12-25-19)26-24(29)28(23)14(2)16-8-6-5-7-9-16/h5-12,14H,1-4H3,(H,26,29) | PDB
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Ligand-Target Pair | |
Bromodomain-containing protein 2
(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
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TBA
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01747
BindingDB Entry DOI: 10.7270/Q23B646M |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM50148604
(CHEMBL3770576)Show SMILES COC(=O)CC1N=C(c2cc(OC)ccc2-n2c(C)nnc12)c1cccc2[nH]ccc12 |c:6| Show InChI InChI=1S/C23H21N5O3/c1-13-26-27-23-19(12-21(29)31-3)25-22(16-5-4-6-18-15(16)9-10-24-18)17-11-14(30-2)7-8-20(17)28(13)23/h4-11,19,24H,12H2,1-3H3 | PDB
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University of Dundee
Curated by ChEMBL
| Assay Description
Binding affinity to N-terminal His6-tagged BRD2 bromodomain 2 (unknown origin) expressed in competent Escherichia coli BL21(DE3) cells by isothermal ... |
J Med Chem 59: 1492-500 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01135
BindingDB Entry DOI: 10.7270/Q21V5GVF |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2
(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
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University of Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Binding affinity to human partial length BRD2 BD1 isoform 1 (K71 to N194 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 2
(Homo sapiens (Human)) | BDBM50365463
(CHEMBL1232461)Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7| Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1 | PDB
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University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to biotinylated BRD2 BD2 (349 to 460 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells by bio-layer interferomet... |
J Med Chem 58: 4927-39 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00613
BindingDB Entry DOI: 10.7270/Q2XD13FK |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM50545912
(CHEMBL4749664)Show SMILES Cc1noc(C)c1-c1ccc2nc(nc(N3CCOC[C@@H]3c3ccccc3)c2c1)-c1cnn(CC(C)(C)O)c1 |r| | PDB
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TBA
| Assay Description
Binding affinity to human partial length BRD2 (BD1) (K71 to N194 residues) expressed in bacterial expression system by BROMOscan assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2019.03.014
BindingDB Entry DOI: 10.7270/Q2FT8QMQ |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM50365264
(CHEMBL1738926)Show SMILES Cc1nnc2[C@H](NC(=O)OCc3ccccc3)N=C(c3ccccc3)c3ccccc3-n12 |r,t:18| Show InChI InChI=1S/C25H21N5O2/c1-17-28-29-24-23(27-25(31)32-16-18-10-4-2-5-11-18)26-22(19-12-6-3-7-13-19)20-14-8-9-15-21(20)30(17)24/h2-15,23H,16H2,1H3,(H,27,31)/t23-/m0/s1 | PDB
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GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description
Binding affinity to N-terminal portion of human Brd2 containing bromodomain BD1 expressed in Escherichia coli at 16 degC by isothermal titration calo... |
J Med Chem 54: 3827-38 (2011)
Article DOI: 10.1021/jm200108t
BindingDB Entry DOI: 10.7270/Q2GB2541 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM50452551
(CHEMBL4209110 | US11028051, Cmpd 50)Show SMILES CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccco1 |r| Show InChI InChI=1S/C20H24N2O4/c1-12(2)26-20(24)21-17-10-13(3)22(14(4)23)18-8-7-15(11-16(17)18)19-6-5-9-25-19/h5-9,11-13,17H,10H2,1-4H3,(H,21,24)/t13-,17+/m0/s1 | PDB
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St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description
Binding affinity to His-tagged BRD2 bromodomain 2 (unknown origin) by SPR assay |
Bioorg Med Chem 26: 25-36 (2018)
Article DOI: 10.1016/j.bmc.2017.10.042
BindingDB Entry DOI: 10.7270/Q2B56NB2 |
More data for this
Ligand-Target Pair | |
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