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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Histone acetyltransferase p300' and Ligand = 'BDBM50151658'   
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))
BDBM50151658
PNG
(CHEMBL3775671)
Show SMILES [#6]-[#8]-c1ccc(cc1)S(=O)(=O)[#8]\[#7]=[#6]-1/[#6]=[#6](-[#6])-[#6](=O)-[#6](-[#6])=[#6]-1 |c:21,t:15|
Show InChI InChI=1S/C15H15NO5S/c1-10-8-12(9-11(2)15(10)17)16-21-22(18,19)14-6-4-13(20-3)5-7-14/h4-9H,1-3H3
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Article
PubMed
n/an/a 1.98E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of P300 (unknown origin) using histone H3 as substrate by fluorescence assay


Eur J Med Chem 178: 259-286 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.078
BindingDB Entry DOI: 10.7270/Q2ZW1QC8
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50151658
PNG
(CHEMBL3775671)
Show SMILES [#6]-[#8]-c1ccc(cc1)S(=O)(=O)[#8]\[#7]=[#6]-1/[#6]=[#6](-[#6])-[#6](=O)-[#6](-[#6])=[#6]-1 |c:21,t:15|
Show InChI InChI=1S/C15H15NO5S/c1-10-8-12(9-11(2)15(10)17)16-21-22(18,19)14-6-4-13(20-3)5-7-14/h4-9H,1-3H3
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MCE
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Article
PubMed
n/an/a 1.98E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of P300 catalytic domain (unknown origin) using histone H3 and [acetyl-3H]-acetylcoenzyme A as substrate preincubated for 15 mins followed...


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))
BDBM50151658
PNG
(CHEMBL3775671)
Show SMILES [#6]-[#8]-c1ccc(cc1)S(=O)(=O)[#8]\[#7]=[#6]-1/[#6]=[#6](-[#6])-[#6](=O)-[#6](-[#6])=[#6]-1 |c:21,t:15|
Show InChI InChI=1S/C15H15NO5S/c1-10-8-12(9-11(2)15(10)17)16-21-22(18,19)14-6-4-13(20-3)5-7-14/h4-9H,1-3H3
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PubMed
n/an/a 1.98E+3n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of p300 catalytic domain (unknown origin) using histone H3 as substrate preincubated for 15 mins followed by substrate addition measured a...


J Med Chem 61: 3239-3252 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01817
BindingDB Entry DOI: 10.7270/Q2542R5N
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50151658
PNG
(CHEMBL3775671)
Show SMILES [#6]-[#8]-c1ccc(cc1)S(=O)(=O)[#8]\[#7]=[#6]-1/[#6]=[#6](-[#6])-[#6](=O)-[#6](-[#6])=[#6]-1 |c:21,t:15|
Show InChI InChI=1S/C15H15NO5S/c1-10-8-12(9-11(2)15(10)17)16-21-22(18,19)14-6-4-13(20-3)5-7-14/h4-9H,1-3H3
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n/an/a 1.98E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of recombinant p300 catalytic domain (unknown origin) using N-terminal histone H3 substrate by orthogonal fluorescence assay in presence o...


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))
BDBM50151658
PNG
(CHEMBL3775671)
Show SMILES [#6]-[#8]-c1ccc(cc1)S(=O)(=O)[#8]\[#7]=[#6]-1/[#6]=[#6](-[#6])-[#6](=O)-[#6](-[#6])=[#6]-1 |c:21,t:15|
Show InChI InChI=1S/C15H15NO5S/c1-10-8-12(9-11(2)15(10)17)16-21-22(18,19)14-6-4-13(20-3)5-7-14/h4-9H,1-3H3
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Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114407
BindingDB Entry DOI: 10.7270/Q2MP578G
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50151658
PNG
(CHEMBL3775671)
Show SMILES [#6]-[#8]-c1ccc(cc1)S(=O)(=O)[#8]\[#7]=[#6]-1/[#6]=[#6](-[#6])-[#6](=O)-[#6](-[#6])=[#6]-1 |c:21,t:15|
Show InChI InChI=1S/C15H15NO5S/c1-10-8-12(9-11(2)15(10)17)16-21-22(18,19)14-6-4-13(20-3)5-7-14/h4-9H,1-3H3
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CHEMBL
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PC cid
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Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Avera Institute for Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of recombinant p300 catalytic domain (unknown origin) using histone H3 N-terminal peptide as substrate in presence of acetyl CoA by fluore...


J Med Chem 63: 4716-4731 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02164
BindingDB Entry DOI: 10.7270/Q27P92QB
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50151658
PNG
(CHEMBL3775671)
Show SMILES [#6]-[#8]-c1ccc(cc1)S(=O)(=O)[#8]\[#7]=[#6]-1/[#6]=[#6](-[#6])-[#6](=O)-[#6](-[#6])=[#6]-1 |c:21,t:15|
Show InChI InChI=1S/C15H15NO5S/c1-10-8-12(9-11(2)15(10)17)16-21-22(18,19)14-6-4-13(20-3)5-7-14/h4-9H,1-3H3
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Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of P300 (unknown origin)


Eur J Med Chem 178: 259-286 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.078
BindingDB Entry DOI: 10.7270/Q2ZW1QC8
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50151658
PNG
(CHEMBL3775671)
Show SMILES [#6]-[#8]-c1ccc(cc1)S(=O)(=O)[#8]\[#7]=[#6]-1/[#6]=[#6](-[#6])-[#6](=O)-[#6](-[#6])=[#6]-1 |c:21,t:15|
Show InChI InChI=1S/C15H15NO5S/c1-10-8-12(9-11(2)15(10)17)16-21-22(18,19)14-6-4-13(20-3)5-7-14/h4-9H,1-3H3
PDB
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UniProtKB/SwissProt

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antibodypedia
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CHEMBL
MCE
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.28E+5n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of recombinant p300 catalytic domain (unknown origin) using N-terminal histone H3 substrate by radiometric filter binding based phenotypic...


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