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Compile Data Set for Download or QSAR

Found 48 hits with Last Name = 'tosco' and Initial = 'a'   
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
Tubulin--tyrosine ligase


(Homo sapiens (Human))
BDBM50293292
PNG
(6alpha,15(S),23-trihydroxy-labd-8(22),13(14),17-tr...)
Show SMILES C\C(CC[C@H]1C(=C)C[C@H](O)[C@H]2[C@](C)(CO)CCC[C@]12C)=C/[C@H](O)[C@H]1OC(=O)C=C1C |r,c:29|
Show InChI InChI=1S/C25H38O5/c1-15(11-19(27)22-17(3)13-21(29)30-22)7-8-18-16(2)12-20(28)23-24(4,14-26)9-6-10-25(18,23)5/h11,13,18-20,22-23,26-28H,2,6-10,12,14H2,1,3-5H3/b15-11+/t18-,19-,20-,22-,23-,24-,25+/m0/s1
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n/an/an/a 2.00E+3n/an/an/an/an/a



Universita di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to TTL by surface plasmon resonance


J Med Chem 52: 3814-28 (2009)


Article DOI: 10.1021/jm801637f
BindingDB Entry DOI: 10.7270/Q2JD4WQD
More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens (Human))
BDBM50293293
PNG
(6alpha,8alpha-dihydroxy-23-oxo-labd-13(14),17-dien...)
Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@H](O)[C@H]2[C@@](C)(CCC[C@]12C)C=O)=C/C[C@H]1OC(=O)C=C1C |r,c:29|
Show InChI InChI=1S/C25H38O5/c1-16(7-9-19-17(2)13-21(28)30-19)8-10-20-24(4)12-6-11-23(3,15-26)22(24)18(27)14-25(20,5)29/h7,13,15,18-20,22,27,29H,6,8-12,14H2,1-5H3/b16-7+/t18-,19+,20+,22-,23-,24+,25+/m0/s1
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n/an/an/a 810n/an/an/an/an/a



Universita di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to TTL by surface plasmon resonance


J Med Chem 52: 3814-28 (2009)


Article DOI: 10.1021/jm801637f
BindingDB Entry DOI: 10.7270/Q2JD4WQD
More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens (Human))
BDBM50293294
PNG
(6alpha,8alpha,15(S)-trihydroxy-23-oxo-labd-13(14),...)
Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@H](O)[C@H]2[C@@](C)(CCC[C@]12C)C=O)=C/[C@H](O)[C@H]1OC(=O)C=C1C |r,c:30|
Show InChI InChI=1S/C25H38O6/c1-15(11-17(27)21-16(2)12-20(29)31-21)7-8-19-24(4)10-6-9-23(3,14-26)22(24)18(28)13-25(19,5)30/h11-12,14,17-19,21-22,27-28,30H,6-10,13H2,1-5H3/b15-11+/t17-,18-,19+,21-,22-,23-,24+,25+/m0/s1
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n/an/an/a 3.00E+3n/an/an/an/an/a



Universita di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to TTL by surface plasmon resonance


J Med Chem 52: 3814-28 (2009)


Article DOI: 10.1021/jm801637f
BindingDB Entry DOI: 10.7270/Q2JD4WQD
More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens (Human))
BDBM50293295
PNG
(6alpha,8alpha,15(S)-trihydroxy-23-carbossimethylla...)
Show SMILES COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H](CC\C(C)=C\[C@H](O)[C@H]3OC(=O)C=C3C)[C@](C)(O)C[C@H](O)[C@@H]12 |r,c:23|
Show InChI InChI=1S/C26H40O7/c1-15(12-17(27)21-16(2)13-20(29)33-21)8-9-19-24(3)10-7-11-25(4,23(30)32-6)22(24)18(28)14-26(19,5)31/h12-13,17-19,21-22,27-28,31H,7-11,14H2,1-6H3/b15-12+/t17-,18-,19+,21-,22+,24+,25+,26+/m0/s1
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n/an/an/a 6.20E+3n/an/an/an/an/a



Universita di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to TTL by surface plasmon resonance


J Med Chem 52: 3814-28 (2009)


Article DOI: 10.1021/jm801637f
BindingDB Entry DOI: 10.7270/Q2JD4WQD
More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens (Human))
BDBM50293296
PNG
(6alpha,8alpha-dihydroxy-23-carbossi-labd-13(14),17...)
Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@H](O)[C@@H]2[C@]1(C)CCC[C@@]2(C)C(O)=O)=C/CC1OC(=O)C=C1C |r,c:30|
Show InChI InChI=1S/C25H38O6/c1-15(7-9-18-16(2)13-20(27)31-18)8-10-19-23(3)11-6-12-24(4,22(28)29)21(23)17(26)14-25(19,5)30/h7,13,17-19,21,26,30H,6,8-12,14H2,1-5H3,(H,28,29)/b15-7+/t17-,18?,19+,21+,23+,24+,25+/m0/s1
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n/an/an/a 7n/an/an/an/an/a



Universita di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to TTL by surface plasmon resonance


J Med Chem 52: 3814-28 (2009)


Article DOI: 10.1021/jm801637f
BindingDB Entry DOI: 10.7270/Q2JD4WQD
More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens (Human))
BDBM50293297
PNG
(6alpha,8alpha,15(S)-trihydroxy-23-carbossi-labd-13...)
Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@H](O)[C@@H]2[C@]1(C)CCC[C@@]2(C)C(O)=O)=C/[C@H](O)[C@H]1OC(=O)C=C1C |r,c:31|
Show InChI InChI=1S/C25H38O7/c1-14(11-16(26)20-15(2)12-19(28)32-20)7-8-18-23(3)9-6-10-24(4,22(29)30)21(23)17(27)13-25(18,5)31/h11-12,16-18,20-21,26-27,31H,6-10,13H2,1-5H3,(H,29,30)/b14-11+/t16-,17-,18+,20-,21+,23+,24+,25+/m0/s1
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n/an/an/a 3.00E+3n/an/an/an/an/a



Universita di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to TTL by surface plasmon resonance


J Med Chem 52: 3814-28 (2009)


Article DOI: 10.1021/jm801637f
BindingDB Entry DOI: 10.7270/Q2JD4WQD
More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens (Human))
BDBM50293298
PNG
(6alpha,8alpha,23-trihydroxy-labd-13(14),17-dien-16...)
Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@H](O)[C@H]2[C@](C)(CO)CCC[C@]12C)=C/C[C@H]1OC(=O)C=C1C |r,c:29|
Show InChI InChI=1S/C25H40O5/c1-16(7-9-19-17(2)13-21(28)30-19)8-10-20-24(4)12-6-11-23(3,15-26)22(24)18(27)14-25(20,5)29/h7,13,18-20,22,26-27,29H,6,8-12,14-15H2,1-5H3/b16-7+/t18-,19+,20+,22-,23-,24+,25+/m0/s1
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n/an/an/a 72n/an/an/an/an/a



Universita di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to TTL by surface plasmon resonance


J Med Chem 52: 3814-28 (2009)


Article DOI: 10.1021/jm801637f
BindingDB Entry DOI: 10.7270/Q2JD4WQD
More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens (Human))
BDBM50293299
PNG
(6alpha,8alpha,15(S),23-tetrahydroxy-labd-13(14),17...)
Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@H](O)[C@H]2[C@](C)(CO)CCC[C@]12C)=C/[C@H](O)[C@H]1OC(=O)C=C1C |r,c:30|
Show InChI InChI=1S/C25H40O6/c1-15(11-17(27)21-16(2)12-20(29)31-21)7-8-19-24(4)10-6-9-23(3,14-26)22(24)18(28)13-25(19,5)30/h11-12,17-19,21-22,26-28,30H,6-10,13-14H2,1-5H3/b15-11+/t17-,18-,19+,21-,22-,23-,24+,25+/m0/s1
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n/an/an/a 4.70E+3n/an/an/an/an/a



Universita di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to TTL by surface plasmon resonance


J Med Chem 52: 3814-28 (2009)


Article DOI: 10.1021/jm801637f
BindingDB Entry DOI: 10.7270/Q2JD4WQD
More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens (Human))
BDBM50293300
PNG
(8alpha-hydroxy,23alpha-O-ethyl-23,6alpha-epoxy-lab...)
Show SMILES CCO[C@H]1O[C@H]2C[C@@](C)(O)[C@H](CC\C(C)=C\C[C@H]3OC(=O)C=C3C)[C@@]3(C)CCC[C@]1(C)[C@H]23 |r,c:21|
Show InChI InChI=1S/C27H42O5/c1-7-30-24-26(5)14-8-13-25(4)21(27(6,29)16-20(32-24)23(25)26)12-10-17(2)9-11-19-18(3)15-22(28)31-19/h9,15,19-21,23-24,29H,7-8,10-14,16H2,1-6H3/b17-9+/t19-,20+,21-,23-,24+,25-,26-,27-/m1/s1
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n/an/an/a 73n/an/an/an/an/a



Universita di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to TTL by surface plasmon resonance


J Med Chem 52: 3814-28 (2009)


Article DOI: 10.1021/jm801637f
BindingDB Entry DOI: 10.7270/Q2JD4WQD
More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens (Human))
BDBM50293301
PNG
(8alpha,15(S)-dihydroxy,23alpha-O-ethyl-23,6alpha-e...)
Show SMILES CCO[C@H]1O[C@H]2C[C@@](C)(O)[C@H](CC\C(C)=C\[C@H](O)[C@H]3OC(=O)C=C3C)[C@@]3(C)CCC[C@]1(C)[C@H]23 |r,c:22|
Show InChI InChI=1S/C27H42O6/c1-7-31-24-26(5)12-8-11-25(4)20(27(6,30)15-19(32-24)23(25)26)10-9-16(2)13-18(28)22-17(3)14-21(29)33-22/h13-14,18-20,22-24,28,30H,7-12,15H2,1-6H3/b16-13+/t18-,19-,20+,22-,23+,24-,25+,26+,27+/m0/s1
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n/an/an/a 960n/an/an/an/an/a



Universita di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to TTL by surface plasmon resonance


J Med Chem 52: 3814-28 (2009)


Article DOI: 10.1021/jm801637f
BindingDB Entry DOI: 10.7270/Q2JD4WQD
More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens (Human))
BDBM50293302
PNG
(8alpha,15(S),23alpha-trihydroxy-23,6alpha-epoxy-la...)
Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@@H]2O[C@H](O)[C@]3(C)CCC[C@@]1(C)[C@@H]23)=C/[C@H](O)[C@H]1OC(=O)C=C1C |r,c:31|
Show InChI InChI=1S/C25H38O6/c1-14(11-16(26)20-15(2)12-19(27)31-20)7-8-18-23(3)9-6-10-24(4)21(23)17(30-22(24)28)13-25(18,5)29/h11-12,16-18,20-22,26,28-29H,6-10,13H2,1-5H3/b14-11+/t16-,17-,18+,20-,21+,22-,23+,24+,25+/m0/s1
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n/an/an/a 2.10E+5n/an/an/an/an/a



Universita di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to TTL by surface plasmon resonance


J Med Chem 52: 3814-28 (2009)


Article DOI: 10.1021/jm801637f
BindingDB Entry DOI: 10.7270/Q2JD4WQD
More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens (Human))
BDBM50293291
PNG
(6alpha,15(S)-dihydroxy-23-oxo-labd-8(22),13(14),17...)
Show SMILES C\C(CC[C@H]1C(=C)C[C@H](O)[C@H]2[C@@](C)(CCC[C@]12C)C=O)=C/[C@H](O)[C@H]1OC(=O)C=C1C |r,c:29|
Show InChI InChI=1S/C25H36O5/c1-15(11-19(27)22-17(3)13-21(29)30-22)7-8-18-16(2)12-20(28)23-24(4,14-26)9-6-10-25(18,23)5/h11,13-14,18-20,22-23,27-28H,2,6-10,12H2,1,3-5H3/b15-11+/t18-,19-,20-,22-,23-,24-,25+/m0/s1
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n/an/an/a 3.30E+3n/an/an/an/an/a



Universita di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to TTL by surface plasmon resonance


J Med Chem 52: 3814-28 (2009)


Article DOI: 10.1021/jm801637f
BindingDB Entry DOI: 10.7270/Q2JD4WQD
More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens (Human))
BDBM50293290
PNG
(6alpha,8alpha,23-trihydroxy-labd-13(14),15,17-trie...)
Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@H](O)[C@H]2[C@](C)(CO)CCC[C@]12C)=C/C=C1\OC(=O)C=C1C |r,c:29|
Show InChI InChI=1S/C25H38O5/c1-16(7-9-19-17(2)13-21(28)30-19)8-10-20-24(4)12-6-11-23(3,15-26)22(24)18(27)14-25(20,5)29/h7,9,13,18,20,22,26-27,29H,6,8,10-12,14-15H2,1-5H3/b16-7+,19-9-/t18-,20+,22-,23-,24+,25+/m0/s1
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n/an/an/a 110n/an/an/an/an/a



Universita di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to TTL by surface plasmon resonance


J Med Chem 52: 3814-28 (2009)


Article DOI: 10.1021/jm801637f
BindingDB Entry DOI: 10.7270/Q2JD4WQD
More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens (Human))
BDBM50293289
PNG
(6alpha,8alpha-dihydroxy-23-carbossi-labd-13(14),15...)
Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@H](O)[C@@H]2[C@]1(C)CCC[C@@]2(C)C(O)=O)=C/C=C1\OC(=O)C=C1C |r,c:30|
Show InChI InChI=1S/C25H36O6/c1-15(7-9-18-16(2)13-20(27)31-18)8-10-19-23(3)11-6-12-24(4,22(28)29)21(23)17(26)14-25(19,5)30/h7,9,13,17,19,21,26,30H,6,8,10-12,14H2,1-5H3,(H,28,29)/b15-7+,18-9-/t17-,19+,21+,23+,24+,25+/m0/s1
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n/an/an/a 93n/an/an/an/an/a



Universita di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to TTL by surface plasmon resonance


J Med Chem 52: 3814-28 (2009)


Article DOI: 10.1021/jm801637f
BindingDB Entry DOI: 10.7270/Q2JD4WQD
More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens (Human))
BDBM50293288
PNG
(6alpha,8alpha-dihydroxy-23-oxo-13(14),15,17-trien-...)
Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@H](O)[C@H]2[C@@](C)(CCC[C@]12C)C=O)=C/C=C1\OC(=O)C=C1C |r,c:29|
Show InChI InChI=1S/C25H36O5/c1-16(7-9-19-17(2)13-21(28)30-19)8-10-20-24(4)12-6-11-23(3,15-26)22(24)18(27)14-25(20,5)29/h7,9,13,15,18,20,22,27,29H,6,8,10-12,14H2,1-5H3/b16-7+,19-9-/t18-,20+,22-,23-,24+,25+/m0/s1
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n/an/an/a 200n/an/an/an/an/a



Universita di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to TTL by surface plasmon resonance


J Med Chem 52: 3814-28 (2009)


Article DOI: 10.1021/jm801637f
BindingDB Entry DOI: 10.7270/Q2JD4WQD
More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens (Human))
BDBM50293287
PNG
(8alpha-hydroxylabd-13(14),15,17-trien-6alpha,23-16...)
Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@@H]2OC(=O)[C@]3(C)CCC[C@@]1(C)[C@@H]23)=C/C=C1\OC(=O)C=C1C |r,c:30|
Show InChI InChI=1S/C25H34O5/c1-15(7-9-17-16(2)13-20(26)29-17)8-10-19-23(3)11-6-12-24(4)21(23)18(30-22(24)27)14-25(19,5)28/h7,9,13,18-19,21,28H,6,8,10-12,14H2,1-5H3/b15-7+,17-9-/t18-,19+,21+,23+,24+,25+/m0/s1
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n/an/an/a 150n/an/an/an/an/a



Universita di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to TTL by surface plasmon resonance


J Med Chem 52: 3814-28 (2009)


Article DOI: 10.1021/jm801637f
BindingDB Entry DOI: 10.7270/Q2JD4WQD
More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens (Human))
BDBM50293286
PNG
(8alpha-23-dihydroxy-23,6alpha-epoxy-labd-13(14),15...)
Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@@H]2OC(O)[C@]3(C)CCC[C@@]1(C)[C@@H]23)=C/C=C1\OC(=O)C=C1C |r,c:30|
Show InChI InChI=1S/C25H36O5/c1-15(7-9-17-16(2)13-20(26)29-17)8-10-19-23(3)11-6-12-24(4)21(23)18(30-22(24)27)14-25(19,5)28/h7,9,13,18-19,21-22,27-28H,6,8,10-12,14H2,1-5H3/b15-7+,17-9-/t18-,19+,21+,22?,23+,24+,25+/m0/s1
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n/an/an/a 480n/an/an/an/an/a



Universita di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to TTL by surface plasmon resonance


J Med Chem 52: 3814-28 (2009)


Article DOI: 10.1021/jm801637f
BindingDB Entry DOI: 10.7270/Q2JD4WQD
More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens (Human))
BDBM50293285
PNG
(23,6alpha-epoxy-labd-8,13(14),17-trien-16(R),19-ol...)
Show SMILES C\C(CC[C@H]1C(=C)C[C@@H]2OC[C@]3(C)CCC[C@@]1(C)[C@@H]23)=C/C[C@H]1OC(=O)C=C1C |r,c:28|
Show InChI InChI=1S/C25H36O3/c1-16(8-10-20-18(3)14-22(26)28-20)7-9-19-17(2)13-21-23-24(4,15-27-21)11-6-12-25(19,23)5/h8,14,19-21,23H,2,6-7,9-13,15H2,1,3-5H3/b16-8+/t19-,20+,21-,23-,24-,25+/m0/s1
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n/an/an/a 8.70E+3n/an/an/an/an/a



Universita di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to TTL by surface plasmon resonance


J Med Chem 52: 3814-28 (2009)


Article DOI: 10.1021/jm801637f
BindingDB Entry DOI: 10.7270/Q2JD4WQD
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))
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
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50024797
PNG
(CHEBI:60283 | CHEMBL1163500 | N6-Isopentenyladenos...)
Show SMILES CC(=C)CCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h6-7,9,11-12,15,21-23H,1,3-5H2,2H3,(H,16,17,18)/t9-,11-,12-,15-/m1/s1
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n/an/an/a 2.02E+6n/an/an/an/an/a



Universit£ degli Studi di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to FPPS (unknown origin) expressed in Escherichia coli BL21(DEscherichia ) assessed as binding constant of proton H2/H8 of purine ri...


J Med Chem 57: 7798-803 (2014)


Article DOI: 10.1021/jm500869x
BindingDB Entry DOI: 10.7270/Q25140SB
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50024797
PNG
(CHEBI:60283 | CHEMBL1163500 | N6-Isopentenyladenos...)
Show SMILES CC(=C)CCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h6-7,9,11-12,15,21-23H,1,3-5H2,2H3,(H,16,17,18)/t9-,11-,12-,15-/m1/s1
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n/an/an/a 2.21E+6n/an/an/an/an/a



Universit£ degli Studi di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to FPPS (unknown origin) expressed in Escherichia coli BL21(DEscherichia ) assessed as binding constant of proton H12 of isopentenyl...


J Med Chem 57: 7798-803 (2014)


Article DOI: 10.1021/jm500869x
BindingDB Entry DOI: 10.7270/Q25140SB
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50024797
PNG
(CHEBI:60283 | CHEMBL1163500 | N6-Isopentenyladenos...)
Show SMILES CC(=C)CCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h6-7,9,11-12,15,21-23H,1,3-5H2,2H3,(H,16,17,18)/t9-,11-,12-,15-/m1/s1
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n/an/an/a 5.50E+5n/an/an/an/an/a



Universit£ degli Studi di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to FPPS (unknown origin) expressed in Escherichia coli BL21(DEscherichia ) assessed as binding constant of proton H11 of isopentenyl...


J Med Chem 57: 7798-803 (2014)


Article DOI: 10.1021/jm500869x
BindingDB Entry DOI: 10.7270/Q25140SB
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50024797
PNG
(CHEBI:60283 | CHEMBL1163500 | N6-Isopentenyladenos...)
Show SMILES CC(=C)CCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h6-7,9,11-12,15,21-23H,1,3-5H2,2H3,(H,16,17,18)/t9-,11-,12-,15-/m1/s1
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n/an/an/a 1.21E+6n/an/an/an/an/a



Universit£ degli Studi di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to FPPS (unknown origin) expressed in Escherichia coli BL21(DEscherichia ) assessed as binding constant of proton H14-H15 of isopent...


J Med Chem 57: 7798-803 (2014)


Article DOI: 10.1021/jm500869x
BindingDB Entry DOI: 10.7270/Q25140SB
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))
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))
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
Protein arginine N-methyltransferase 1 [11-371]


(Homo sapiens (Human))
BDBM50206427
PNG
(7,7'-carbonylbis(azanediyl)bis(4-hydroxynaphthalen...)
Show SMILES Oc1cc(cc2cc(NC(=O)Nc3ccc4c(O)cc(cc4c3)S(O)(=O)=O)ccc12)S(O)(=O)=O
Show InChI InChI=1S/C21H16N2O9S2/c24-19-9-15(33(27,28)29)7-11-5-13(1-3-17(11)19)22-21(26)23-14-2-4-18-12(6-14)8-16(10-20(18)25)34(30,31)32/h1-10,24-25H,(H2,22,23,26)(H,27,28,29)(H,30,31,32)
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n/an/an/a 810n/an/an/an/an/a



Universit£ degli Studi di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant GST-PRMT1 expressed Escherichia coli BL21 by SPR assay


J Med Chem 55: 9875-90 (2012)


Article DOI: 10.1021/jm301097p
BindingDB Entry DOI: 10.7270/Q2445NM2
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 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))
BDBM84873
PNG
(Nemorosone, 2)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6@@H]1-[#6][C@@]2([#6]\[#6]=[#6](\[#6])-[#6])[#6](=O)-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](=O)[C@@]([#6](=O)-c3ccccc3)([#6]2=O)C1([#6])[#6] |r,THB:33:32:15.21.13:34.6.5|
Show InChI InChI=1S/C33H42O4/c1-21(2)14-16-25-20-32(19-18-23(5)6)28(35)26(17-15-22(3)4)29(36)33(30(32)37,31(25,7)8)27(34)24-12-10-9-11-13-24/h9-15,18,25-26H,16-17,19-20H2,1-8H3/t25-,26?,32+,33+/m1/s1
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n/an/an/a 250n/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