Found 19 hits of kd data for polymerid = 50006704 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Histone acetyltransferase KAT2A
(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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| 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 GCN5L2 (E726 to K837 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 | |
Histone acetyltransferase KAT2A
(Homo sapiens (Human)) | BDBM50573197
(CHEMBL4872300) | PDB
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| n/a | n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to GCN5L2 (unknown origin) by BROMOscan method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01294 BindingDB Entry DOI: 10.7270/Q2HM5D7G |
More data for this Ligand-Target Pair | |
Histone acetyltransferase KAT2A
(Homo sapiens (Human)) | BDBM50512964
(CHEMBL4574669)Show SMILES CN1C[C@@H](C[C@@H](C1)c1ccc2OCCOc2c1)Nc1nc2cc[nH]c2c(=O)n1C |r| Show InChI InChI=1S/C21H25N5O3/c1-25-11-14(13-3-4-17-18(10-13)29-8-7-28-17)9-15(12-25)23-21-24-16-5-6-22-19(16)20(27)26(21)2/h3-6,10,14-15,22H,7-9,11-12H2,1-2H3,(H,23,24)/t14-,15+/m0/s1 | PDB
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| n/a | n/a | n/a | 105 | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description Binding affinity to human N-terminal His-tagged GCN5 by isothermal titration calorimetry |
J Med Chem 62: 4526-4542 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00096 BindingDB Entry DOI: 10.7270/Q2862KS8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone acetyltransferase KAT2A
(Homo sapiens (Human)) | BDBM50514856
(CHEMBL4465880)Show SMILES CN1CCc2c(C1)nnn2CC(=O)Nc1ccc(Br)c(c1)S(=O)(=O)N1CC[C@@H](C1)C1CC1 |r| Show InChI InChI=1S/C21H27BrN6O3S/c1-26-8-7-19-18(12-26)24-25-28(19)13-21(29)23-16-4-5-17(22)20(10-16)32(30,31)27-9-6-15(11-27)14-2-3-14/h4-5,10,14-15H,2-3,6-9,11-13H2,1H3,(H,23,29)/t15-/m0/s1 | PDB
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| n/a | n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Binding affinity to human partial length GCN5L2 (E726 to K837 residues) expressed in bacterial expression system by BROMOscan assay |
J Med Chem 63: 5212-5241 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00021 BindingDB Entry DOI: 10.7270/Q2RN3C7T |
More data for this Ligand-Target Pair | |
Histone acetyltransferase KAT2A
(Homo sapiens (Human)) | BDBM321437
((E)-6-(but-2-en-1-yl)-4-(4-(2-hydroxypropan-2-yl)-...)Show SMILES COc1cc(c(OC)cc1-c1cn(C\C=C\C)c(=O)c2[nH]c(C)cc12)C(C)(C)O Show InChI InChI=1S/C23H28N2O4/c1-7-8-9-25-13-17(16-10-14(2)24-21(16)22(25)26)15-11-20(29-6)18(23(3,4)27)12-19(15)28-5/h7-8,10-13,24,27H,9H2,1-6H3/b8-7+ | PDB
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| | n/a | n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Histone acetyltransferase KAT2A
(Homo sapiens (Human)) | BDBM50514857
(CHEMBL4449894)Show SMILES C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)ccc1Br |r| Show InChI InChI=1S/C20H25BrN4O5S/c1-12-7-8-24(10-12)31(29,30)16-9-14(5-6-15(16)21)22-17(26)11-25-18(27)20(2,13-3-4-13)23-19(25)28/h5-6,9,12-13H,3-4,7-8,10-11H2,1-2H3,(H,22,26)(H,23,28)/t12-,20-/m0/s1 | PDB
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| n/a | n/a | n/a | 251 | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Binding affinity to human partial length GCN5L2 (E726 to K837 residues) expressed in bacterial expression system by BROMOscan assay |
J Med Chem 63: 5212-5241 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00021 BindingDB Entry DOI: 10.7270/Q2RN3C7T |
More data for this Ligand-Target Pair | |
Histone acetyltransferase KAT2A
(Homo sapiens (Human)) | BDBM50615275
(CHEMBL5282240) | PDB
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| | n/a | n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Histone acetyltransferase KAT2A
(Homo sapiens (Human)) | BDBM50514858
(CHEMBL4577486)Show SMILES CN1CCc2c(C1)nnn2CC(=O)Nc1ccc(Cl)c(c1)S(=O)(=O)N1CC[C@@H](C1)C1CC1 |r| Show InChI InChI=1S/C21H27ClN6O3S/c1-26-8-7-19-18(12-26)24-25-28(19)13-21(29)23-16-4-5-17(22)20(10-16)32(30,31)27-9-6-15(11-27)14-2-3-14/h4-5,10,14-15H,2-3,6-9,11-13H2,1H3,(H,23,29)/t15-/m0/s1 | PDB
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| n/a | n/a | n/a | 501 | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Binding affinity to human partial length GCN5L2 (E726 to K837 residues) expressed in bacterial expression system by BROMOscan assay |
J Med Chem 63: 5212-5241 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00021 BindingDB Entry DOI: 10.7270/Q2RN3C7T |
More data for this Ligand-Target Pair | |
Histone acetyltransferase KAT2A
(Homo sapiens (Human)) | BDBM220447
(US10633379, Compound X | US9296741, 36)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3 | PDB
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| n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746 BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this Ligand-Target Pair | |
Histone acetyltransferase KAT2A
(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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| n/a | n/a | n/a | >4.00E+3 | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Binding affinity to human partial length GCN5L2 (E726 to K837 residues) expressed in bacterial expression system 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 | |
Histone acetyltransferase KAT2A
(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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| n/a | n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to human GCN5L2 (E726 to K837 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 | |
Histone acetyltransferase KAT2A
(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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to human partial length GCN5L2 (E726 to K837 residues) expressed in bacterial expression system 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 | |
Histone acetyltransferase KAT2A
(Homo sapiens (Human)) | BDBM50453949
(CHEMBL4208820 | US11247989, Example 87)Show SMILES CNC(=O)c1ccc(cn1)-c1cc2cccc(-c3nn(C4CCOCC4)c4CCN(Cc34)C(C)=O)c2cn1 Show InChI InChI=1S/C29H30N6O3/c1-18(36)34-11-8-27-24(17-34)28(33-35(27)21-9-12-38-13-10-21)22-5-3-4-19-14-26(32-16-23(19)22)20-6-7-25(31-15-20)29(37)30-2/h3-7,14-16,21H,8-13,17H2,1-2H3,(H,30,37) | PDB
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| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description Binding affinity to human partial length GCN5L2 (E726 to K837 residues) expressed in bacterial expression system by BROMOscan assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025 BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this Ligand-Target Pair | |
Histone acetyltransferase KAT2A
(Homo sapiens (Human)) | BDBM50615276
(CHEMBL5270178) | PDB
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TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Histone acetyltransferase KAT2A
(Homo sapiens (Human)) | BDBM321424
(6-[(E)-but-2-enyl]-4-[2,5-dimethoxy-4-(morpholine-...)Show SMILES COc1cc(c(OC)cc1C(=O)N1CCOCC1)-c1cn(C\C=C\C)c(=O)c2[nH]c(C)cc12 Show InChI InChI=1S/C25H29N3O5/c1-5-6-7-28-15-20(18-12-16(2)26-23(18)25(28)30)17-13-22(32-4)19(14-21(17)31-3)24(29)27-8-10-33-11-9-27/h5-6,12-15,26H,7-11H2,1-4H3/b6-5+ | PDB
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TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Histone acetyltransferase KAT2A
(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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| n/a | n/a | n/a | <3.02E+4 | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Binding affinity to human partial length DNA-tagged GCN5L2 expressed in bacteria 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 | |
Histone acetyltransferase KAT2A
(Homo sapiens (Human)) | BDBM50098305
(CHEMBL3590405)Show SMILES Cc1cncc(c1)-c1ccc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r| | PDB
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| n/a | n/a | n/a | <1.00E+5 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Binding affinity to KAT2A in human HUT78 cells incubated for 45 mins by mass spectrometry based bromosphere chemoproteomic assay |
J Med Chem 58: 6151-78 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00773 BindingDB Entry DOI: 10.7270/Q2FN17Z1 |
More data for this Ligand-Target Pair | |
Histone acetyltransferase KAT2A
(Homo sapiens (Human)) | BDBM50098250
(CHEMBL3590389)Show SMILES Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCCCC2)c2[nH]c(=O)c(C)cc12 |r| Show InChI InChI=1S/C27H35N5O2/c1-17-10-20(13-29-12-17)22-14-30-26(25-21(22)11-18(2)27(33)32-25)31-23-8-9-28-15-24(23)34-16-19-6-4-3-5-7-19/h10-14,19,23-24,28H,3-9,15-16H2,1-2H3,(H,30,31)(H,32,33)/t23-,24-/m1/s1 | PDB
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| n/a | n/a | n/a | <1.00E+5 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Binding affinity to KAT2A in human HUT78 cells incubated for 45 mins by mass spectrometry based bromosphere chemoproteomic assay |
J Med Chem 58: 6151-78 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00773 BindingDB Entry DOI: 10.7270/Q2FN17Z1 |
More data for this Ligand-Target Pair | |
Histone acetyltransferase KAT2A
(Homo sapiens (Human)) | BDBM50098311
(CHEMBL3590408)Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1 |r| | PDB
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| n/a | n/a | n/a | <1.00E+5 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Binding affinity to KAT2A in human HUT78 cells incubated for 45 mins by mass spectrometry based bromosphere chemoproteomic assay |
J Med Chem 58: 6151-78 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00773 BindingDB Entry DOI: 10.7270/Q2FN17Z1 |
More data for this Ligand-Target Pair | |