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Compile Data Set for Download or QSAR

Found 52 hits of kd for UniProtKB: Q09472   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50241990
PNG
(CHEMBL502489 | Camboginol | Garcinol | Garcinol, 1)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6@@H](-[#6][C@@]12[#6]-[#6@@H](-[#6]\[#6]=[#6](\[#6])-[#6])C([#6])([#6])[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6](=O)-[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)-[#6]1=O)[#6]2=O)-[#6](-[#6])=[#6] |r,TLB:40:39:26.24.37:15.8.9|
Show InChI InChI=1S/C38H50O6/c1-22(2)11-13-27(25(7)8)20-37-21-28(15-12-23(3)4)36(9,10)38(35(37)44,18-17-24(5)6)34(43)31(33(37)42)32(41)26-14-16-29(39)30(40)19-26/h11-12,14,16-17,19,27-28,31,39-40H,7,13,15,18,20-21H2,1-6,8-10H3/t27-,28+,31?,37+,38-/m0/s1
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n/an/an/a 400n/an/an/an/a37



Universitá degli Studi di Salerno



Assay Description
The p300 activity assays were performed by a colorimetric kit (JM-K322-100, MBL) using active recombinant p300/HAT as positive control and acetyl-CoA...


Chembiochem 11: 818-27 (2010)


Article DOI: 10.1002/cbic.200900721
BindingDB Entry DOI: 10.7270/Q2S1810J
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM321424
PNG
(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+
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n/an/an/a>1.00E+4n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM84874
PNG
(Guttiferone A, 3)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6@H]1-[#6][C@@]2([#6]\[#6]=[#6](\[#6])-[#6])[#6](=O)-[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)-[#6](=O)[C@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]2=O)[C@]1([#6])[#6]-[#6]=[#6](-[#6])-[#6] |r,THB:35:34:15.26.13:36.6.5|
Show InChI InChI=1S/C37H48O6/c1-22(2)10-12-27-21-36(18-15-24(5)6)32(41)30(31(40)26-11-13-28(38)29(39)20-26)33(42)37(34(36)43,19-16-25(7)8)35(27,9)17-14-23(3)4/h10-11,13-16,20,27,30,38-39H,12,17-19,21H2,1-9H3/t27-,30?,35+,36-,37+/m0/s1
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n/an/an/a 100n/an/an/an/a37



Universitá degli Studi di Salerno



Assay Description
The p300 activity assays were performed by a colorimetric kit (JM-K322-100, MBL) using active recombinant p300/HAT as positive control and acetyl-CoA...


Chembiochem 11: 818-27 (2010)


Article DOI: 10.1002/cbic.200900721
BindingDB Entry DOI: 10.7270/Q2S1810J
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM84875
PNG
(Guttiferone E, 4)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6](-[#6]-[#6](-[#6]=[#6](-[#6])-[#6])[C@]12[#6]-[#6@H](-[#6]\[#6]=[#6](\[#6])-[#6])C([#6])([#6])[C@]([#6]\[#6]=[#6](\[#6])-[#6])([#6](=O)-[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)-[#6]1=O)[#6]2=O)-[#6](-[#6])=[#6] |r,TLB:45:44:31.29.42:20.13.14|
Show InChI InChI=1S/C43H58O6/c1-25(2)13-15-30(29(9)10)22-33(21-28(7)8)42-24-32(17-14-26(3)4)41(11,12)43(40(42)49,20-19-27(5)6)39(48)36(38(42)47)37(46)31-16-18-34(44)35(45)23-31/h13-14,16,18-19,21,23,30,32-33,36,44-45H,9,15,17,20,22,24H2,1-8,10-12H3/t30?,32-,33?,36?,42+,43+/m0/s1
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n/an/an/a 390n/an/an/an/a37



Universitá degli Studi di Salerno



Assay Description
The p300 activity assays were performed by a colorimetric kit (JM-K322-100, MBL) using active recombinant p300/HAT as positive control and acetyl-CoA...


Chembiochem 11: 818-27 (2010)


Article DOI: 10.1002/cbic.200900721
BindingDB Entry DOI: 10.7270/Q2S1810J
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM84877
PNG
(Clusianone, 10)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6@@H]1-[#6][C@@]2([#6]\[#6]=[#6](/[#6])-[#6])[#6](=O)-[#6](-[#6](=O)-c3ccccc3)-[#6](=O)[C@]([#6]\[#6]=[#6](/[#6])-[#6])([#6]2=O)C1([#6])[#6] |r,THB:33:32:15.24.13:34.6.5|
Show InChI InChI=1S/C33H42O4/c1-21(2)14-15-25-20-32(18-16-22(3)4)28(35)26(27(34)24-12-10-9-11-13-24)29(36)33(30(32)37,31(25,7)8)19-17-23(5)6/h9-14,16-17,25-26H,15,18-20H2,1-8H3/t25-,26?,32+,33-/m1/s1
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n/an/an/a 810n/an/an/an/a37



Universitá degli Studi di Salerno



Assay Description
The p300 activity assays were performed by a colorimetric kit (JM-K322-100, MBL) using active recombinant p300/HAT as positive control and acetyl-CoA...


Chembiochem 11: 818-27 (2010)


Article DOI: 10.1002/cbic.200900721
BindingDB Entry DOI: 10.7270/Q2S1810J
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50081171
PNG
(CHEMBL3421905)
Show SMILES O=C(C1C(=O)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)C1=O)c1ccccc1
Show InChI InChI=1S/C25H20N2O4/c28-22(20-14-8-3-9-15-20)21-23(29)26(16-18-10-4-1-5-11-18)25(31)27(24(21)30)17-19-12-6-2-7-13-19/h1-15,21H,16-17H2
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n/an/an/a 2.40E+3n/an/an/an/an/a



Universit£ degli Studi di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P300 catalytic domain by SPR analysis


J Med Chem 58: 2779-98 (2015)


Article DOI: 10.1021/jm5019687
BindingDB Entry DOI: 10.7270/Q2736SMP
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50081172
PNG
(CHEMBL3421930)
Show SMILES O=C1C(Cc2ccccc2)C(=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1
Show InChI InChI=1S/C25H22N2O3/c28-23-22(16-19-10-4-1-5-11-19)24(29)27(18-21-14-8-3-9-15-21)25(30)26(23)17-20-12-6-2-7-13-20/h1-15,22H,16-18H2
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n/an/an/a 110n/an/an/an/an/a



Universit£ degli Studi di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant P300 catalytic domain by SPR analysis


J Med Chem 58: 2779-98 (2015)


Article DOI: 10.1021/jm5019687
BindingDB Entry DOI: 10.7270/Q2736SMP
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM188519
PNG
(SGC-CBP30)
Show SMILES COc1ccc(CCc2nc3cc(ccc3n2C[C@H](C)N2CCOCC2)-c2c(C)noc2C)cc1Cl |r|
Show InChI InChI=1S/C28H33ClN4O3/c1-18(32-11-13-35-14-12-32)17-33-25-8-7-22(28-19(2)31-36-20(28)3)16-24(25)30-27(33)10-6-21-5-9-26(34-4)23(29)15-21/h5,7-9,15-16,18H,6,10-14,17H2,1-4H3/t18-/m0/s1
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n/an/an/a 32n/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Binding affinity to human p300 by ITC analysis


J Med Chem 58: 7611-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00229
BindingDB Entry DOI: 10.7270/Q2QZ2CSD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50151663
PNG
(CHEMBL3774655)
Show SMILES CCC(=O)N1CCOc2c(C1)cc(cc2OC[C@H]1CCCN(C)C1)-c1ccc(OC)c(OC)c1 |r|
Show InChI InChI=1S/C27H36N2O5/c1-5-26(30)29-11-12-33-27-22(17-29)13-21(20-8-9-23(31-3)24(14-20)32-4)15-25(27)34-18-19-7-6-10-28(2)16-19/h8-9,13-15,19H,5-7,10-12,16-18H2,1-4H3/t19-/m0/s1
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n/an/an/a 167n/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human p300 expressed in competent escherichia coli BL21(DE3)-R3-pRARE2 cells by isothermal titration calorimetry


J Med Chem 59: 1249-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01502
BindingDB Entry DOI: 10.7270/Q2DV1MRN
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50396040
PNG
(CHEMBL1823895)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N(Cc1ccc2OC(C)(C)C=Cc2c1)c1ccccc1 |c:24|
Show InChI InChI=1S/C26H27NO5S/c1-26(2)15-14-20-16-19(10-12-23(20)32-26)18-27(21-8-6-5-7-9-21)33(28,29)22-11-13-24(30-3)25(17-22)31-4/h5-17H,18H2,1-4H3
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n/an/an/a 345n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to recombinant P300 CH1 domain assessed as dissociation constant by surface plasmon resonance analysis


ACS Med Chem Lett 3: 620-625 (2012)


Article DOI: 10.1021/ml300042k
BindingDB Entry DOI: 10.7270/Q2K64K5R
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50241990
PNG
(CHEMBL502489 | Camboginol | Garcinol | Garcinol, 1)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6@@H](-[#6][C@@]12[#6]-[#6@@H](-[#6]\[#6]=[#6](\[#6])-[#6])C([#6])([#6])[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6](=O)-[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)-[#6]1=O)[#6]2=O)-[#6](-[#6])=[#6] |r,TLB:40:39:26.24.37:15.8.9|
Show InChI InChI=1S/C38H50O6/c1-22(2)11-13-27(25(7)8)20-37-21-28(15-12-23(3)4)36(9,10)38(35(37)44,18-17-24(5)6)34(43)31(33(37)42)32(41)26-14-16-29(39)30(40)19-26/h11-12,14,16-17,19,27-28,31,39-40H,7,13,15,18,20-21H2,1-6,8-10H3/t27-,28+,31?,37+,38-/m0/s1
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n/an/an/a 1.80E+3n/an/an/an/an/a



Jawaharlal Nehru Centre for Advanced Scientific Research

Curated by ChEMBL


Assay Description
Binding affinity to HAT p300 catalytic domain by fluorometric titration


J Med Chem 52: 267-77 (2009)


Article DOI: 10.1021/jm800657z
BindingDB Entry DOI: 10.7270/Q2445NDC
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50265449
PNG
((1R,3S,9S,11R)-7-(3-Hydroxy-4-methoxy-benzoyl)-4,4...)
Show SMILES [#6]-[#8]-c1ccc(cc1-[#8])-[#6](=O)-[#6]-1=[#6]2-[#8]C([#6])([#6])[#6@@H](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6][C@@]22[#6]-[#6@@H](-[#6]\[#6]=[#6](\[#6])-[#6])C([#6])([#6])[C@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]2)[#6]-1=O |r,c:12|
Show InChI InChI=1S/C39H54O5/c1-24(2)12-15-28-21-38-22-29(16-13-25(3)4)37(9,10)44-35(38)32(33(41)27-14-17-31(43-11)30(40)20-27)34(42)39(23-38,36(28,7)8)19-18-26(5)6/h12-14,17-18,20,28-29,40H,15-16,19,21-23H2,1-11H3/t28-,29+,38-,39-/m1/s1
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n/an/an/a 1.40E+3n/an/an/an/an/a



Jawaharlal Nehru Centre for Advanced Scientific Research

Curated by ChEMBL


Assay Description
Binding affinity to HAT p300 catalytic domain by fluorometric titration


J Med Chem 52: 267-77 (2009)


Article DOI: 10.1021/jm800657z
BindingDB Entry DOI: 10.7270/Q2445NDC
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50377962
PNG
(CAMBOGIN)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6@H]1-[#6][C@@]23[#6]-[#6@@H](-[#6]\[#6]=[#6](\[#6])-[#6])C([#6])([#6])[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6](=O)-[#6](-[#6](=O)-c4ccc(-[#8])c(-[#8])c4)=[#6]2-[#8]C1([#6])[#6])[#6]3=O |r,c:37,TLB:43:42:15.8.9:26.24.37|
Show InChI InChI=1S/C38H50O6/c1-22(2)11-14-26-20-37-21-27(15-12-23(3)4)36(9,10)44-33(37)30(31(41)25-13-16-28(39)29(40)19-25)32(42)38(34(37)43,35(26,7)8)18-17-24(5)6/h11-13,16-17,19,26-27,39-40H,14-15,18,20-21H2,1-10H3/t26-,27+,37+,38+/m1/s1
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n/an/an/a 1.10E+3n/an/an/an/an/a



Jawaharlal Nehru Centre for Advanced Scientific Research

Curated by ChEMBL


Assay Description
Binding affinity to HAT p300 catalytic domain by fluorometric titration


J Med Chem 52: 267-77 (2009)


Article DOI: 10.1021/jm800657z
BindingDB Entry DOI: 10.7270/Q2445NDC
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50241990
PNG
(CHEMBL502489 | Camboginol | Garcinol | Garcinol, 1)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6@@H](-[#6][C@@]12[#6]-[#6@@H](-[#6]\[#6]=[#6](\[#6])-[#6])C([#6])([#6])[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6](=O)-[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)-[#6]1=O)[#6]2=O)-[#6](-[#6])=[#6] |r,TLB:40:39:26.24.37:15.8.9|
Show InChI InChI=1S/C38H50O6/c1-22(2)11-13-27(25(7)8)20-37-21-28(15-12-23(3)4)36(9,10)38(35(37)44,18-17-24(5)6)34(43)31(33(37)42)32(41)26-14-16-29(39)30(40)19-26/h11-12,14,16-17,19,27-28,31,39-40H,7,13,15,18,20-21H2,1-6,8-10H3/t27-,28+,31?,37+,38-/m0/s1
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n/an/an/a 6.60E+3n/an/an/an/an/a



Jawaharlal Nehru Centre for Advanced Scientific Research

Curated by ChEMBL


Assay Description
Binding affinity to HAT p300 catalytic domain by isothermal titration calorimetry


J Med Chem 52: 267-77 (2009)


Article DOI: 10.1021/jm800657z
BindingDB Entry DOI: 10.7270/Q2445NDC
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50265449
PNG
((1R,3S,9S,11R)-7-(3-Hydroxy-4-methoxy-benzoyl)-4,4...)
Show SMILES [#6]-[#8]-c1ccc(cc1-[#8])-[#6](=O)-[#6]-1=[#6]2-[#8]C([#6])([#6])[#6@@H](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6][C@@]22[#6]-[#6@@H](-[#6]\[#6]=[#6](\[#6])-[#6])C([#6])([#6])[C@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]2)[#6]-1=O |r,c:12|
Show InChI InChI=1S/C39H54O5/c1-24(2)12-15-28-21-38-22-29(16-13-25(3)4)37(9,10)44-35(38)32(33(41)27-14-17-31(43-11)30(40)20-27)34(42)39(23-38,36(28,7)8)19-18-26(5)6/h12-14,17-18,20,28-29,40H,15-16,19,21-23H2,1-11H3/t28-,29+,38-,39-/m1/s1
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n/an/an/a 9.10E+3n/an/an/an/an/a



Jawaharlal Nehru Centre for Advanced Scientific Research

Curated by ChEMBL


Assay Description
Binding affinity to HAT p300 catalytic domain by isothermal titration calorimetry


J Med Chem 52: 267-77 (2009)


Article DOI: 10.1021/jm800657z
BindingDB Entry DOI: 10.7270/Q2445NDC
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50377962
PNG
(CAMBOGIN)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6@H]1-[#6][C@@]23[#6]-[#6@@H](-[#6]\[#6]=[#6](\[#6])-[#6])C([#6])([#6])[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6](=O)-[#6](-[#6](=O)-c4ccc(-[#8])c(-[#8])c4)=[#6]2-[#8]C1([#6])[#6])[#6]3=O |r,c:37,TLB:43:42:15.8.9:26.24.37|
Show InChI InChI=1S/C38H50O6/c1-22(2)11-14-26-20-37-21-27(15-12-23(3)4)36(9,10)44-33(37)30(31(41)25-13-16-28(39)29(40)19-25)32(42)38(34(37)43,35(26,7)8)18-17-24(5)6/h11-13,16-17,19,26-27,39-40H,14-15,18,20-21H2,1-10H3/t26-,27+,37+,38+/m1/s1
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n/an/an/a 5.90E+3n/an/an/an/an/a



Jawaharlal Nehru Centre for Advanced Scientific Research

Curated by ChEMBL


Assay Description
Binding affinity to HAT p300 catalytic domain by isothermal titration calorimetry


J Med Chem 52: 267-77 (2009)


Article DOI: 10.1021/jm800657z
BindingDB Entry DOI: 10.7270/Q2445NDC
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM220447
PNG
(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
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n/an/an/a 87n/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human EP300 (A1040 to G1161 residues) expressed in bacterial expression system by BROMOscan assay


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 p300


(Homo sapiens (Human))
BDBM50366670
PNG
(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)
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n/an/an/a 110n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human EP300 (A1040 to G1161 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 p300


(Homo sapiens (Human))
BDBM50455480
PNG
(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
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n/an/an/a<3.02E+4n/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Binding affinity to human partial length DNA-tagged EP300 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 p300


(Homo sapiens (Human))
BDBM179481
PNG
(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)
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n/an/an/a 550n/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to human partial length EP300 (A1040 to G1161 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 p300


(Homo sapiens (Human))
BDBM50453949
PNG
(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)
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n/an/an/a 0.120n/an/an/an/an/a



WuXi AppTec Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human partial length EP300 (A1040 to G1161 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 p300


(Homo sapiens (Human))
BDBM50537291
PNG
(CHEMBL4555191)
Show SMILES CN1C(=O)[C@@]2(Cc3ccc(C[C@@]45SS[C@@](CO)(N(C)C4=O)C(=O)N5C)cc3)SS[C@]1(CO)C(=O)N2C |r|
Show InChI InChI=1S/C22H26N4O6S4/c1-23-17(31)21(11-27)25(3)15(29)19(23,33-35-21)9-13-5-7-14(8-6-13)10-20-16(30)26(4)22(12-28,36-34-20)18(32)24(20)2/h5-8,27-28H,9-12H2,1-4H3/t19-,20-,21-,22-/m1/s1
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n/an/an/a 750n/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to human GST-fused p300 CH1 domain (323 to 423 residues) under hypoxic condition by SPR assay


Bioorg Med Chem 27: 1145-1158 (2019)


Article DOI: 10.1016/j.bmc.2019.01.042
BindingDB Entry DOI: 10.7270/Q2QC072Q
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50524839
PNG
(CHEMBL4466328)
Show SMILES CC(C)C[C@H](N1CCN[C@@H](CC(C)C)C1=O)C(=O)N1CCN([C@@H](CCC(N)=O)C(N)=O)C(=O)[C@@H]1C |r|
Show InChI InChI=1S/C24H42N6O5/c1-14(2)12-17-23(34)29(9-8-27-17)19(13-15(3)4)24(35)28-10-11-30(22(33)16(28)5)18(21(26)32)6-7-20(25)31/h14-19,27H,6-13H2,1-5H3,(H2,25,31)(H2,26,32)/t16-,17-,18-,19-/m0/s1
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n/an/an/a 530n/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to p300 CH1 domain (unknown origin) by tryptophan fluorescence assay


Bioorg Med Chem 27: 1145-1158 (2019)


Article DOI: 10.1016/j.bmc.2019.01.042
BindingDB Entry DOI: 10.7270/Q2QC072Q
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50537293
PNG
(CHEMBL4590644)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(O)=O |r|
Show InChI InChI=1S/C51H79N13O21S/c1-21(2)15-29(57-41(74)27(52)11-13-35(53)68)46(79)64-40(24(6)66)50(83)61-33(19-65)47(80)58-30(16-25-7-9-26(67)10-8-25)44(77)59-32(18-38(72)73)45(78)62-34(20-86)48(81)56-28(12-14-37(70)71)42(75)63-39(22(3)4)49(82)60-31(17-36(54)69)43(76)55-23(5)51(84)85/h7-10,21-24,27-34,39-40,65-67,86H,11-20,52H2,1-6H3,(H2,53,68)(H2,54,69)(H,55,76)(H,56,81)(H,57,74)(H,58,80)(H,59,77)(H,60,82)(H,61,83)(H,62,78)(H,63,75)(H,64,79)(H,70,71)(H,72,73)(H,84,85)/t23-,24+,27-,28-,29-,30-,31-,32-,33-,34-,39-,40-/m0/s1
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n/an/an/a 6.74E+3n/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to p300 (unknown origin) by fluorescence anisotrophy


Bioorg Med Chem 27: 1145-1158 (2019)


Article DOI: 10.1016/j.bmc.2019.01.042
BindingDB Entry DOI: 10.7270/Q2QC072Q
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50537294
PNG
(CHEMBL4514946)
Show SMILES CCCC[C@H](N1CCN[C@@H](CC(C)C)C1=O)C(=O)N1CCN([C@@H](CCC(N)=O)C(N)=O)C(=O)[C@@H]1C |r|
Show InChI InChI=1S/C24H42N6O5/c1-5-6-7-19(29-11-10-27-17(23(29)34)14-15(2)3)24(35)28-12-13-30(22(33)16(28)4)18(21(26)32)8-9-20(25)31/h15-19,27H,5-14H2,1-4H3,(H2,25,31)(H2,26,32)/t16-,17-,18-,19-/m0/s1
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n/an/an/a 3.00E+4n/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to p300 CH1 domain (unknown origin) by tryptophan fluorescence assay


Bioorg Med Chem 27: 1145-1158 (2019)


Article DOI: 10.1016/j.bmc.2019.01.042
BindingDB Entry DOI: 10.7270/Q2QC072Q
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50537295
PNG
(CHEMBL4524475)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)N1C\C=C\CCN[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O |r,t:23|
Show InChI InChI=1S/C42H71N13O13/c1-21(2)17-27-37(64)50-24(6)41(68)55(16-9-7-8-14-47-26(19-32(57)58)36(63)53-27)30(11-10-15-48-42(45)46)40(67)49-23(5)35(62)52-28(18-22(3)4)38(65)54-29(20-33(59)60)39(66)51-25(34(44)61)12-13-31(43)56/h7,9,21-30,47H,8,10-20H2,1-6H3,(H2,43,56)(H2,44,61)(H,49,67)(H,50,64)(H,51,66)(H,52,62)(H,53,63)(H,54,65)(H,57,58)(H,59,60)(H4,45,46,48)/b9-7+/t23-,24-,25-,26-,27-,28-,29-,30-/m0/s1
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n/an/an/a 690n/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to p300 CH1 domain (unknown origin) by fluorescence anisotropy competition assay


Bioorg Med Chem 27: 1145-1158 (2019)


Article DOI: 10.1016/j.bmc.2019.01.042
BindingDB Entry DOI: 10.7270/Q2QC072Q
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50524834
PNG
(CHEMBL4435255)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N1CC\C=C/CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O |r,c:29|
Show InChI InChI=1S/C44H73N13O14/c1-22(2)19-29(41(69)55-30(21-35(62)63)42(70)52-26(36(46)64)13-15-32(45)58)54-37(65)24(5)50-39(67)27(11-10-17-49-44(47)48)53-38(66)25(6)57-18-9-7-8-12-33(59)51-28(14-16-34(60)61)40(68)56-31(43(57)71)20-23(3)4/h7-8,22-31H,9-21H2,1-6H3,(H2,45,58)(H2,46,64)(H,50,67)(H,51,59)(H,52,70)(H,53,66)(H,54,65)(H,55,69)(H,56,68)(H,60,61)(H,62,63)(H4,47,48,49)/b8-7-/t24-,25-,26-,27-,28-,29-,30-,31-/m0/s1
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n/an/an/a 690n/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to p300 (unknown origin)


J Med Chem 62: 5725-5749 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01596
BindingDB Entry DOI: 10.7270/Q2QF8X9V
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50524839
PNG
(CHEMBL4466328)
Show SMILES CC(C)C[C@H](N1CCN[C@@H](CC(C)C)C1=O)C(=O)N1CCN([C@@H](CCC(N)=O)C(N)=O)C(=O)[C@@H]1C |r|
Show InChI InChI=1S/C24H42N6O5/c1-14(2)12-17-23(34)29(9-8-27-17)19(13-15(3)4)24(35)28-10-11-30(22(33)16(28)5)18(21(26)32)6-7-20(25)31/h14-19,27H,6-13H2,1-5H3,(H2,25,31)(H2,26,32)/t16-,17-,18-,19-/m0/s1
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n/an/an/a 530n/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to p300-CH1 domain (unknown origin)


J Med Chem 62: 5725-5749 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01596
BindingDB Entry DOI: 10.7270/Q2QF8X9V
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50537297
PNG
(CHEMBL4542925)
Show SMILES CN1C(=O)[C@@]2(Cc3ccc(CCc4ccc(C[C@]56SS[C@](CO)(N(C)C5=O)C(=O)N6C)cc4)cc3)NC(=O)[C@]1(CO)SS2 |r|
Show InChI InChI=1S/C29H32N4O6S4/c1-31-23(37)26(30-22(36)28(31,16-34)42-40-26)14-20-10-6-18(7-11-20)4-5-19-8-12-21(13-9-19)15-27-24(38)33(3)29(17-35,43-41-27)25(39)32(27)2/h6-13,34-35H,4-5,14-17H2,1-3H3,(H,30,36)/t26-,27-,28-,29-/m0/s1
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n/an/an/a 3.62E+3n/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to human GST-fused p300 CH1 domain (323 to 423 residues) under hypoxic condition by SPR assay


Bioorg Med Chem 27: 1145-1158 (2019)


Article DOI: 10.1016/j.bmc.2019.01.042
BindingDB Entry DOI: 10.7270/Q2QC072Q
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50537301
PNG
(CHEMBL4593074)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(O)=O |r|
Show InChI InChI=1S/C189H308N54O69S2/c1-25-91(20)148(240-180(304)128-33-28-57-242(128)185(309)93(22)208-164(288)116(68-133(195)254)233-181(305)146(89(16)17)238-163(287)107(45-53-142(266)267)219-178(302)126(81-313)237-174(298)120(73-145(272)273)232-170(294)115(67-95-34-36-96(249)37-35-95)228-177(301)125(80-247)236-184(308)149(94(23)248)241-175(299)114(65-87(12)13)224-158(282)103(40-48-131(193)252)220-179(303)127-32-29-58-243(127)186(310)121(66-88(14)15)210-137(258)75-206-154(278)123(78-245)235-160(284)106(44-52-141(264)265)218-172(296)118(71-143(268)269)230-161(285)108(54-59-314-24)212-151(275)97(190)77-244)183(307)221-101(39-47-130(192)251)153(277)205-76-138(259)211-124(79-246)176(300)214-99(31-27-56-203-189(200)201)156(280)229-117(69-134(196)255)171(295)227-113(64-86(10)11)169(293)226-111(62-84(6)7)166(290)215-100(38-46-129(191)250)152(276)204-74-136(257)209-102(42-50-139(260)261)157(281)216-105(43-51-140(262)263)159(283)223-112(63-85(8)9)168(292)225-110(61-83(4)5)165(289)213-98(30-26-55-202-188(198)199)155(279)207-92(21)150(274)222-109(60-82(2)3)167(291)231-119(72-144(270)271)173(297)217-104(41-49-132(194)253)162(286)239-147(90(18)19)182(306)234-122(187(311)312)70-135(197)256/h34-37,82-94,97-128,146-149,244-249,313H,25-33,38-81,190H2,1-24H3,(H2,191,250)(H2,192,251)(H2,193,252)(H2,194,253)(H2,195,254)(H2,196,255)(H2,197,256)(H,204,276)(H,205,277)(H,206,278)(H,207,279)(H,208,288)(H,209,257)(H,210,258)(H,211,259)(H,212,275)(H,213,289)(H,214,300)(H,215,290)(H,216,281)(H,217,297)(H,218,296)(H,219,302)(H,220,303)(H,221,307)(H,222,274)(H,223,283)(H,224,282)(H,225,292)(H,226,293)(H,227,295)(H,228,301)(H,229,280)(H,230,285)(H,231,291)(H,232,294)(H,233,305)(H,234,306)(H,235,284)(H,236,308)(H,237,298)(H,238,287)(H,239,286)(H,240,304)(H,241,299)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,311,312)(H4,198,199,202)(H4,200,201,203)/t91-,92-,93-,94+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,146-,147-,148-,149-/m0/s1
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n/an/an/a 45n/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to p300 (unknown origin) by ITC assay


Bioorg Med Chem 27: 1145-1158 (2019)


Article DOI: 10.1016/j.bmc.2019.01.042
BindingDB Entry DOI: 10.7270/Q2QC072Q
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50537301
PNG
(CHEMBL4593074)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(O)=O |r|
Show InChI InChI=1S/C189H308N54O69S2/c1-25-91(20)148(240-180(304)128-33-28-57-242(128)185(309)93(22)208-164(288)116(68-133(195)254)233-181(305)146(89(16)17)238-163(287)107(45-53-142(266)267)219-178(302)126(81-313)237-174(298)120(73-145(272)273)232-170(294)115(67-95-34-36-96(249)37-35-95)228-177(301)125(80-247)236-184(308)149(94(23)248)241-175(299)114(65-87(12)13)224-158(282)103(40-48-131(193)252)220-179(303)127-32-29-58-243(127)186(310)121(66-88(14)15)210-137(258)75-206-154(278)123(78-245)235-160(284)106(44-52-141(264)265)218-172(296)118(71-143(268)269)230-161(285)108(54-59-314-24)212-151(275)97(190)77-244)183(307)221-101(39-47-130(192)251)153(277)205-76-138(259)211-124(79-246)176(300)214-99(31-27-56-203-189(200)201)156(280)229-117(69-134(196)255)171(295)227-113(64-86(10)11)169(293)226-111(62-84(6)7)166(290)215-100(38-46-129(191)250)152(276)204-74-136(257)209-102(42-50-139(260)261)157(281)216-105(43-51-140(262)263)159(283)223-112(63-85(8)9)168(292)225-110(61-83(4)5)165(289)213-98(30-26-55-202-188(198)199)155(279)207-92(21)150(274)222-109(60-82(2)3)167(291)231-119(72-144(270)271)173(297)217-104(41-49-132(194)253)162(286)239-147(90(18)19)182(306)234-122(187(311)312)70-135(197)256/h34-37,82-94,97-128,146-149,244-249,313H,25-33,38-81,190H2,1-24H3,(H2,191,250)(H2,192,251)(H2,193,252)(H2,194,253)(H2,195,254)(H2,196,255)(H2,197,256)(H,204,276)(H,205,277)(H,206,278)(H,207,279)(H,208,288)(H,209,257)(H,210,258)(H,211,259)(H,212,275)(H,213,289)(H,214,300)(H,215,290)(H,216,281)(H,217,297)(H,218,296)(H,219,302)(H,220,303)(H,221,307)(H,222,274)(H,223,283)(H,224,282)(H,225,292)(H,226,293)(H,227,295)(H,228,301)(H,229,280)(H,230,285)(H,231,291)(H,232,294)(H,233,305)(H,234,306)(H,235,284)(H,236,308)(H,237,298)(H,238,287)(H,239,286)(H,240,304)(H,241,299)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,311,312)(H4,198,199,202)(H4,200,201,203)/t91-,92-,93-,94+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,146-,147-,148-,149-/m0/s1
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n/an/an/a 16n/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to p300 (unknown origin) by fluorescence anisotrophy


Bioorg Med Chem 27: 1145-1158 (2019)


Article DOI: 10.1016/j.bmc.2019.01.042
BindingDB Entry DOI: 10.7270/Q2QC072Q
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM249277
PNG
(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)
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n/an/an/a 220n/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human partial length EP300 (A1040 to G1161 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 p300


(Homo sapiens (Human))
BDBM50539801
PNG
(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)
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n/an/an/a 37n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to human partial length EP300 (A1040 to G1161 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
3D
3D Structure (crystal)
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM188519
PNG
(SGC-CBP30)
Show SMILES COc1ccc(CCc2nc3cc(ccc3n2C[C@H](C)N2CCOCC2)-c2c(C)noc2C)cc1Cl |r|
Show InChI InChI=1S/C28H33ClN4O3/c1-18(32-11-13-35-14-12-32)17-33-25-8-7-22(28-19(2)31-36-20(28)3)16-24(25)30-27(33)10-6-21-5-9-26(34-4)23(29)15-21/h5,7-9,15-16,18H,6,10-14,17H2,1-4H3/t18-/m0/s1
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n/an/an/a 3.18E+7n/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Reverse ITC (compound as receptor). Domain start/stop: A1040-S1171


Proc Natl Acad Sci U S A 112: 10768-73 (2015)


Article DOI: 10.1073/pnas.1501956112
BindingDB Entry DOI: 10.7270/Q2NG4V7B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50559467
PNG
(CHEMBL4763016)
Show SMILES CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2cccc(F)c2C1=O |r,wU:7.6,wD:10.10,(51.72,-32.35,;52.07,-33.85,;50.87,-34.83,;49.54,-34.06,;48.21,-34.83,;48.21,-36.37,;46.88,-37.14,;46.88,-38.67,;48.21,-39.44,;48.21,-40.98,;46.87,-41.74,;46.87,-43.28,;45.55,-40.97,;45.55,-39.44,;49.54,-37.14,;50.88,-36.37,;52.1,-37.32,;53.61,-36.96,;54.5,-38.23,;56.04,-38.09,;56.69,-36.68,;55.8,-35.42,;56.44,-34.03,;54.26,-35.56,;53.59,-34.17,;54.53,-32.96,)|
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n/an/an/a 1.20E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human partial length EP300 (A1040 to G1161 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
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50365463
PNG
(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
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n/an/an/a 7.10E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human partial length EP300 (A1040 to G1161 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
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50467836
PNG
(CHEMBL4282264)
Show SMILES CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N(Cc3ccc(F)cc3)[C@@H](C)C(F)(F)F)C2=O)c1 |r|
Show InChI InChI=1S/C25H24F4N4O5/c1-14(25(27,28)29)32(12-15-3-5-17(26)6-4-15)20(34)13-33-21(35)24(38-23(33)37)10-9-16-11-18(7-8-19(16)24)31-22(36)30-2/h3-8,11,14H,9-10,12-13H2,1-2H3,(H2,30,31,36)/t14-,24+/m0/s1
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n/an/an/a 0.00128n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human Biotin-Avi-P300 assessed as dissociation constant using Neutravidin as ligand measured by Surface Plasmon Resonance method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00654
BindingDB Entry DOI: 10.7270/Q2N58R45
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50467836
PNG
(CHEMBL4282264)
Show SMILES CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N(Cc3ccc(F)cc3)[C@@H](C)C(F)(F)F)C2=O)c1 |r|
Show InChI InChI=1S/C25H24F4N4O5/c1-14(25(27,28)29)32(12-15-3-5-17(26)6-4-15)20(34)13-33-21(35)24(38-23(33)37)10-9-16-11-18(7-8-19(16)24)31-22(36)30-2/h3-8,11,14H,9-10,12-13H2,1-2H3,(H2,30,31,36)/t14-,24+/m0/s1
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n/an/an/a 1.40n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human Biotin-Avi-P300 using Neutravidin as ligand measured by Surface Plasmon Resonance method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00654
BindingDB Entry DOI: 10.7270/Q2N58R45
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50159140
PNG
(CHEMBL3785648)
Show SMILES CCc1c([nH]c(C)c1C(C)=O)C(=O)NC
Show InChI InChI=1S/C11H16N2O2/c1-5-8-9(7(3)14)6(2)13-10(8)11(15)12-4/h13H,5H2,1-4H3,(H,12,15)
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n/an/an/a 2.26E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human His-Tev tagged EP300 expressed in bacterial expression system incubated for 30 mins by isothermal titration calorimetry


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112861
BindingDB Entry DOI: 10.7270/Q2CC14D7
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50559314
PNG
(CHEMBL4741587)
Show SMILES CCc1c([nH]c(C)c1C(C)=O)C(=O)NCc1c(O)ccc2cccc(O)c12
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n/an/an/a 470n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human His-Tev tagged EP300 expressed in bacterial expression system incubated for 30 mins by isothermal titration calorimetry


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112861
BindingDB Entry DOI: 10.7270/Q2CC14D7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50571550
PNG
(CHEMBL4867046)
Show SMILES COc1ccc(CCc2nc3cc(ccn3c2NC2CCCCC2)-c2c(C)noc2C)cc1
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n/an/an/a 285n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human partial length EP300 (A1040 to G1161 residues) expressed in bacterial expression system by BromoELECT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50571557
PNG
(CHEMBL4853072)
Show SMILES COc1ccc(CCc2nc3cc(ccn3c2NC2CCCCC2)-c2c(C)noc2C)cc1Cl
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n/an/an/a 215n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human partial length EP300 (A1040 to G1161 residues) expressed in bacterial expression system by BromoELECT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50571569
PNG
(CHEMBL4875989)
Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC(=O)N3CCN(CC3)c3ccc(cc3)-c3nc4ccc(cn4c3NC3CCCCC3)-c3c(C)noc3C)[C@@]1([H])NC(=O)N2 |r|
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n/an/an/a 1.30E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human partial length EP300 (A1040 to G1161 residues) expressed in bacterial expression system by BromoELECT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02232
BindingDB Entry DOI: 10.7270/Q2NS0ZQF
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50579718
PNG
(CHEMBL5083683)
Show SMILES COc1ccc2CCCN(CCC\C=C\c3cccc4NC(=O)C[C@H](C)Nc34)c2c1 |r|
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n/an/an/a<250n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human EP300 assessed as dissociation constant by BROMOscan assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00348
BindingDB Entry DOI: 10.7270/Q2RF5ZW2
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50579715
PNG
(CHEMBL5089448)
Show SMILES COc1ccc2CCCN(CCC\C=C\c3cccc4NC(=O)C[C@@H](C)Nc34)c2c1 |r|
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n/an/an/a 240n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human EP300 assessed as dissociation constant by BROMOscan assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00348
BindingDB Entry DOI: 10.7270/Q2RF5ZW2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50584925
PNG
(CHEMBL5079885)
Show SMILES [H][C@]12Cc3ccccc3[C@]([H])([C@H](NC1=O)C(C)C)N2C(=O)c1cc(NC2CCN(CC(C)(C)F)CC2)c2nnc(C)n2n1 |r,THB:19:18:3.8.2:13.12.11|
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n/an/an/a<3.16E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human EP300 bromodomain assessed as dissociation constant by BROMOscan method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01871
BindingDB Entry DOI: 10.7270/Q2280CH8
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50603097
PNG
(CHEMBL5195288)
Show SMILES C[C@H]1C[C@@H](Nc2ncc(Cl)cn2)c2cc(ccc2N1C(C)=O)C(N)=O |r|
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n/an/an/a 2.51E+3n/an/an/an/an/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
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM449844
PNG
(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
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n/an/an/a 31n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone acetyltransferase p300


(Homo sapiens (Human))
CHEMBL5282240
PNG
PDB
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n/an/an/a 4.50E+3n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM321437
PNG
((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+
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n/an/an/a>1.00E+4n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
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