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Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 50045786   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50081125
PNG
(CHEMBL3421961)
Show SMILES [#6]-c1cc(-[#8])cc(-[#6])c1\[#6]=[#6]-1/[#6](=O)-[#7](-[#6]-c2ccccc2)-[#6](=O)-[#7](-[#6]-c2ccccc2)-[#6]-1=O
Show InChI InChI=1S/C27H24N2O4/c1-18-13-22(30)14-19(2)23(18)15-24-25(31)28(16-20-9-5-3-6-10-20)27(33)29(26(24)32)17-21-11-7-4-8-12-21/h3-15,30H,16-17H2,1-2H3
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2.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Salerno

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of P300 (unknown origin) using acetyl CoA as substrate after 15 mins by double reciprocal plot 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))
BDBM50081125
PNG
(CHEMBL3421961)
Show SMILES [#6]-c1cc(-[#8])cc(-[#6])c1\[#6]=[#6]-1/[#6](=O)-[#7](-[#6]-c2ccccc2)-[#6](=O)-[#7](-[#6]-c2ccccc2)-[#6]-1=O
Show InChI InChI=1S/C27H24N2O4/c1-18-13-22(30)14-19(2)23(18)15-24-25(31)28(16-20-9-5-3-6-10-20)27(33)29(26(24)32)17-21-11-7-4-8-12-21/h3-15,30H,16-17H2,1-2H3
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9.40E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Salerno

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of P300 (unknown origin) using biotinylated H3 as substrate after 15 mins by double reciprocal plot 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
CREB-binding protein


(Homo sapiens (Human))
BDBM50081125
PNG
(CHEMBL3421961)
Show SMILES [#6]-c1cc(-[#8])cc(-[#6])c1\[#6]=[#6]-1/[#6](=O)-[#7](-[#6]-c2ccccc2)-[#6](=O)-[#7](-[#6]-c2ccccc2)-[#6]-1=O
Show InChI InChI=1S/C27H24N2O4/c1-18-13-22(30)14-19(2)23(18)15-24-25(31)28(16-20-9-5-3-6-10-20)27(33)29(26(24)32)17-21-11-7-4-8-12-21/h3-15,30H,16-17H2,1-2H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Universit£ degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of recombinant CBP (unknown origin)


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))
BDBM50081162
PNG
(CHEMBL3421943)
Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]-2\[#6](=O)-[#7](-[#6]-c3ccccc3)-[#6](=O)-[#7](-[#6]-c3ccccc3)-[#6]-2=O)ccc1-[#8]
Show InChI InChI=1S/C26H22N2O5/c1-33-23-15-20(12-13-22(23)29)14-21-24(30)27(16-18-8-4-2-5-9-18)26(32)28(25(21)31)17-19-10-6-3-7-11-19/h2-15,29H,16-17H2,1H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Universit£ degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of P300 (unknown origin) using histone H3/[acetyl-3H]-acetyl coenzyme A as substrate


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))
BDBM50081170
PNG
(CHEMBL3421960)
Show SMILES CC1=NN(C(=O)\C1=C/Cc1ccc(Cc2cc(C)c(C)cc2[N+]([O-])=O)o1)c1ccc(cc1)C(O)=O |t:1|
Show InChI InChI=1S/C26H23N3O6/c1-15-12-19(24(29(33)34)13-16(15)2)14-22-9-8-21(35-22)10-11-23-17(3)27-28(25(23)30)20-6-4-18(5-7-20)26(31)32/h4-9,11-13H,10,14H2,1-3H3,(H,31,32)/b23-11-
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n/an/a 1.60E+3n/an/an/an/an/an/a



Universit£ degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of P300 (unknown origin) using histone H3/[acetyl-3H]-acetyl coenzyme A as substrate


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))
BDBM50081160
PNG
(CHEMBL3421941)
Show SMILES [#8]-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7](-[#6]-c3ccccc3)-[#6](=O)-[#7](-[#6]-c3ccccc3)-[#6]-2=O)cc1-[#8]
Show InChI InChI=1S/C25H20N2O5/c28-21-12-11-19(14-22(21)29)13-20-23(30)26(15-17-7-3-1-4-8-17)25(32)27(24(20)31)16-18-9-5-2-6-10-18/h1-14,28-29H,15-16H2
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n/an/a 1.60E+3n/an/an/an/an/an/a



Universit£ degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of P300 (unknown origin) using histone H3/[acetyl-3H]-acetyl coenzyme A as substrate


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))
BDBM50081159
PNG
(CHEMBL3421940)
Show SMILES [#8]-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7](-[#6]-c3ccccc3)-[#6](=O)-[#7](-[#6]-c3ccccc3)-[#6]-2=O)cc1
Show InChI InChI=1S/C25H20N2O4/c28-21-13-11-18(12-14-21)15-22-23(29)26(16-19-7-3-1-4-8-19)25(31)27(24(22)30)17-20-9-5-2-6-10-20/h1-15,28H,16-17H2
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n/an/a 2.10E+3n/an/an/an/an/an/a



Universit£ degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of P300 (unknown origin) using histone H3/[acetyl-3H]-acetyl coenzyme A as substrate


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))
BDBM50081125
PNG
(CHEMBL3421961)
Show SMILES [#6]-c1cc(-[#8])cc(-[#6])c1\[#6]=[#6]-1/[#6](=O)-[#7](-[#6]-c2ccccc2)-[#6](=O)-[#7](-[#6]-c2ccccc2)-[#6]-1=O
Show InChI InChI=1S/C27H24N2O4/c1-18-13-22(30)14-19(2)23(18)15-24-25(31)28(16-20-9-5-3-6-10-20)27(33)29(26(24)32)17-21-11-7-4-8-12-21/h3-15,30H,16-17H2,1-2H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



Universit£ degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of recombinant P300 (unknown origin)


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))
BDBM50081168
PNG
(CHEMBL3421950)
Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]-2\[#6](=O)-[#7](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7](-[#6]-[#6](-[#6])-[#6])-[#6]-2=O)ccc1-[#8]
Show InChI InChI=1S/C20H26N2O5/c1-12(2)10-21-18(24)15(19(25)22(20(21)26)11-13(3)4)8-14-6-7-16(23)17(9-14)27-5/h6-9,12-13,23H,10-11H2,1-5H3
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n/an/a 4.20E+3n/an/an/an/an/an/a



Universit£ degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of P300 (unknown origin) using histone H3/[acetyl-3H]-acetyl coenzyme A as substrate


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))
BDBM50081166
PNG
(CHEMBL3421948)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#7]-1-[#6](=O)-[#7](-[#6]-[#6](-[#6])-[#6])-[#6](=O)\[#6](=[#6]/c2ccc(-[#8])c(-[#8])c2)-[#6]-1=O
Show InChI InChI=1S/C19H24N2O5/c1-11(2)9-20-17(24)14(7-13-5-6-15(22)16(23)8-13)18(25)21(19(20)26)10-12(3)4/h5-8,11-12,22-23H,9-10H2,1-4H3
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n/an/a 5.40E+3n/an/an/an/an/an/a



Universit£ degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of P300 (unknown origin) using histone H3/[acetyl-3H]-acetyl coenzyme A as substrate


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))
BDBM50081161
PNG
(CHEMBL3421942)
Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7](-[#6]-c3ccccc3)-[#6](=O)-[#7](-[#6]-c3ccccc3)-[#6]-2=O)cc1-[#8]
Show InChI InChI=1S/C26H22N2O5/c1-33-23-13-12-20(15-22(23)29)14-21-24(30)27(16-18-8-4-2-5-9-18)26(32)28(25(21)31)17-19-10-6-3-7-11-19/h2-15,29H,16-17H2,1H3
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n/an/a 5.90E+3n/an/an/an/an/an/a



Universit£ degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of P300 (unknown origin) using histone H3/[acetyl-3H]-acetyl coenzyme A as substrate


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))
BDBM50067040
PNG
(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4|
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3
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n/an/a 6.50E+3n/an/an/an/an/an/a



Universit£ degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of P300 (unknown origin) using histone H3/[acetyl-3H]-acetyl coenzyme A as substrate


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))
BDBM50081164
PNG
(CHEMBL3421945)
Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7](-[#6]-c3ccccc3)-[#6](=O)-[#7](-[#6]-c3ccccc3)-[#6]-2=O)cc1
Show InChI InChI=1S/C26H22N2O4/c1-32-22-14-12-19(13-15-22)16-23-24(29)27(17-20-8-4-2-5-9-20)26(31)28(25(23)30)18-21-10-6-3-7-11-21/h2-16H,17-18H2,1H3
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n/an/a 8.00E+3n/an/an/an/an/an/a



Universit£ degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of P300 (unknown origin) using histone H3/[acetyl-3H]-acetyl coenzyme A as substrate


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))
BDBM50081165
PNG
(CHEMBL3421947)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#7]-1-[#6](=O)-[#7](-[#6]-[#6](-[#6])-[#6])-[#6](=O)\[#6](=[#6]/c2ccc(-[#8])cc2)-[#6]-1=O
Show InChI InChI=1S/C19H24N2O4/c1-12(2)10-20-17(23)16(9-14-5-7-15(22)8-6-14)18(24)21(19(20)25)11-13(3)4/h5-9,12-13,22H,10-11H2,1-4H3
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n/an/a 8.50E+3n/an/an/an/an/an/a



Universit£ degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of P300 (unknown origin) using histone H3/[acetyl-3H]-acetyl coenzyme A as substrate


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))
BDBM50081163
PNG
(CHEMBL3421944)
Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7](-[#6]-c3ccccc3)-[#6](=O)-[#7](-[#6]-c3ccccc3)-[#6]-2=O)cc1-[#8]-[#6]
Show InChI InChI=1S/C27H24N2O5/c1-33-23-14-13-21(16-24(23)34-2)15-22-25(30)28(17-19-9-5-3-6-10-19)27(32)29(26(22)31)18-20-11-7-4-8-12-20/h3-16H,17-18H2,1-2H3
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n/an/a 1.14E+4n/an/an/an/an/an/a



Universit£ degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of P300 (unknown origin) using histone H3/[acetyl-3H]-acetyl coenzyme A as substrate


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))
BDBM50081169
PNG
(CHEMBL3421957)
Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]-2/[#6](=O)-[#7](-[#6]-[#6]=[#6])-[#6](=O)-[#7](-[#6]-[#6]=[#6])-[#6]-2=O)ccc1-[#8]
Show InChI InChI=1S/C18H18N2O5/c1-4-8-19-16(22)13(17(23)20(9-5-2)18(19)24)10-12-6-7-14(21)15(11-12)25-3/h4-7,10-11,21H,1-2,8-9H2,3H3
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n/an/a 2.64E+4n/an/an/an/an/an/a



Universit£ degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of P300 (unknown origin) using histone H3/[acetyl-3H]-acetyl coenzyme A as substrate


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))
BDBM50081167
PNG
(CHEMBL3421949)
Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7](-[#6]-[#6](-[#6])-[#6])-[#6]-2=O)cc1-[#8]
Show InChI InChI=1S/C20H26N2O5/c1-12(2)10-21-18(24)15(19(25)22(20(21)26)11-13(3)4)8-14-6-7-17(27-5)16(23)9-14/h6-9,12-13,23H,10-11H2,1-5H3
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n/an/a 3.14E+4n/an/an/an/an/an/a



Universit£ degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of P300 (unknown origin) using histone H3/[acetyl-3H]-acetyl coenzyme A as substrate


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 KAT2B


(Homo sapiens (Human))
BDBM50292429
PNG
(2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...)
Show SMILES OC(=O)c1c(O)cccc1CCCCCCC\C=C/C\C=C/CC=C
Show InChI InChI=1S/C22H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h2,4-5,7-8,15,17-18,23H,1,3,6,9-14,16H2,(H,24,25)/b5-4-,8-7-
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n/an/a 3.39E+4n/an/an/an/an/an/a



Universit£ degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of PCAF (unknown origin) using histone H3/[acetyl-3H]-acetyl coenzyme A as substrate


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
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
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
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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