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PubMed code 19086895

Compile data set for download or QSAR
Found 9 hits of Enzyme Inhibition Constant Data   
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))
BDBM50377962
PNG
(CAMBOGIN)
Show SMILES CC(C)=CC[C@H]1C[C@@]23C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c4ccc(O)c(O)c4)=C2OC1(C)C)C3=O
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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PubMed
3.90E+3n/an/an/an/an/an/an/an/a



Jawaharlal Nehru Centre for Advanced Scientific Research

Curated by ChEMBL


Assay Description
Inhibition of HAT p300 catalytic domain by equilibrium dialysis


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 CC(C)=CC[C@@H](C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)C1=O)C2=O)C(C)=C
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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4.90E+3n/an/an/an/an/an/an/an/a



Jawaharlal Nehru Centre for Advanced Scientific Research

Curated by ChEMBL


Assay Description
Inhibition of HAT p300 catalytic domain by equilibrium dialysis


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 COc1ccc(cc1O)C(=O)C1=C2OC(C)(C)[C@@H](CC=C(C)C)C[C@@]22C[C@@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C2)C1=O
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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PubMed
5.10E+3n/an/an/an/an/an/an/an/a



Jawaharlal Nehru Centre for Advanced Scientific Research

Curated by ChEMBL


Assay Description
Inhibition of HAT p300 catalytic domain by equilibrium dialysis


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 CC(C)=CC[C@H]1C[C@@]23C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c4ccc(O)c(O)c4)=C2OC1(C)C)C3=O
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))
BDBM50265449
PNG
((1R,3S,9S,11R)-7-(3-Hydroxy-4-methoxy-benzoyl)-4,4...)
Show SMILES COc1ccc(cc1O)C(=O)C1=C2OC(C)(C)[C@@H](CC=C(C)C)C[C@@]22C[C@@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C2)C1=O
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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PubMed
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))
BDBM50241990
PNG
(CHEMBL502489 | Camboginol | Garcinol | Garcinol, 1)
Show SMILES CC(C)=CC[C@@H](C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)C1=O)C2=O)C(C)=C
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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PubMed
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))
BDBM50377962
PNG
(CAMBOGIN)
Show SMILES CC(C)=CC[C@H]1C[C@@]23C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c4ccc(O)c(O)c4)=C2OC1(C)C)C3=O
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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PubMed
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))
BDBM50241990
PNG
(CHEMBL502489 | Camboginol | Garcinol | Garcinol, 1)
Show SMILES CC(C)=CC[C@@H](C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)C1=O)C2=O)C(C)=C
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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PubMed
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 COc1ccc(cc1O)C(=O)C1=C2OC(C)(C)[C@@H](CC=C(C)C)C[C@@]22C[C@@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C2)C1=O
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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PubMed
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
* indicates data uncertainty>20%