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BDBM50311438 CHEMBL4169942

SMILES: CC(=O)n1cc(C(=O)Nc2cc(COC3CCCCO3)cc(c2)C(O)=O)c2ccccc12

InChI Key: InChIKey=MBYTWRXIPXJQJP-UHFFFAOYSA-N

Data: 8 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50311438   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone acetyltransferase p300/Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50311438
PNG
(CHEMBL4169942)
Show SMILES CC(=O)n1cc(C(=O)Nc2cc(COC3CCCCO3)cc(c2)C(O)=O)c2ccccc12
Show InChI InChI=1S/C24H24N2O6/c1-15(27)26-13-20(19-6-2-3-7-21(19)26)23(28)25-18-11-16(10-17(12-18)24(29)30)14-32-22-8-4-5-9-31-22/h2-3,6-7,10-13,22H,4-5,8-9,14H2,1H3,(H,25,28)(H,29,30)
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n/an/a 2.51E+3n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated-H4KAc4 binding to human His6-tagged EP300 (A1040 to G1161 residues) expressed in Escherichia coli BL21(DE3) after 2.5 hrs ...


Eur J Med Chem 147: 238-252 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.087
BindingDB Entry DOI: 10.7270/Q2NZ8B5K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50311438
PNG
(CHEMBL4169942)
Show SMILES CC(=O)n1cc(C(=O)Nc2cc(COC3CCCCO3)cc(c2)C(O)=O)c2ccccc12
Show InChI InChI=1S/C24H24N2O6/c1-15(27)26-13-20(19-6-2-3-7-21(19)26)23(28)25-18-11-16(10-17(12-18)24(29)30)14-32-22-8-4-5-9-31-22/h2-3,6-7,10-13,22H,4-5,8-9,14H2,1H3,(H,25,28)(H,29,30)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated-H4KAc4 binding to human His6-tagged BRD4 bromodomain-1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) afte...


Eur J Med Chem 147: 238-252 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.087
BindingDB Entry DOI: 10.7270/Q2NZ8B5K
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM50311438
PNG
(CHEMBL4169942)
Show SMILES CC(=O)n1cc(C(=O)Nc2cc(COC3CCCCO3)cc(c2)C(O)=O)c2ccccc12
Show InChI InChI=1S/C24H24N2O6/c1-15(27)26-13-20(19-6-2-3-7-21(19)26)23(28)25-18-11-16(10-17(12-18)24(29)30)14-32-22-8-4-5-9-31-22/h2-3,6-7,10-13,22H,4-5,8-9,14H2,1H3,(H,25,28)(H,29,30)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated-H4KAc4 binding to human His6-tagged TAF-1 (R1377 to D1503 residues) expressed in Escherichia coli BL21(DE3) after 2.5 hrs ...


Eur J Med Chem 147: 238-252 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.087
BindingDB Entry DOI: 10.7270/Q2NZ8B5K
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50311438
PNG
(CHEMBL4169942)
Show SMILES CC(=O)n1cc(C(=O)Nc2cc(COC3CCCCO3)cc(c2)C(O)=O)c2ccccc12
Show InChI InChI=1S/C24H24N2O6/c1-15(27)26-13-20(19-6-2-3-7-21(19)26)23(28)25-18-11-16(10-17(12-18)24(29)30)14-32-22-8-4-5-9-31-22/h2-3,6-7,10-13,22H,4-5,8-9,14H2,1H3,(H,25,28)(H,29,30)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated-H4KAc4 binding to human His6-tagged CBP (R1081 to G1197 residues) expressed in Escherichia coli BL21(DE3) after 2.5 hrs by...


Eur J Med Chem 147: 238-252 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.087
BindingDB Entry DOI: 10.7270/Q2NZ8B5K
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50311438
PNG
(CHEMBL4169942)
Show SMILES CC(=O)n1cc(C(=O)Nc2cc(COC3CCCCO3)cc(c2)C(O)=O)c2ccccc12
Show InChI InChI=1S/C24H24N2O6/c1-15(27)26-13-20(19-6-2-3-7-21(19)26)23(28)25-18-11-16(10-17(12-18)24(29)30)14-32-22-8-4-5-9-31-22/h2-3,6-7,10-13,22H,4-5,8-9,14H2,1H3,(H,25,28)(H,29,30)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated-H4KAc4 binding to human His6-tagged BRD9 (L14 to Q134 residues) expressed in Escherichia coli BL21(DE3) after 2.5 hrs by l...


Eur J Med Chem 147: 238-252 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.087
BindingDB Entry DOI: 10.7270/Q2NZ8B5K
More data for this
Ligand-Target Pair
Transcription intermediary factor 1-alpha


(Homo sapiens (Human))
BDBM50311438
PNG
(CHEMBL4169942)
Show SMILES CC(=O)n1cc(C(=O)Nc2cc(COC3CCCCO3)cc(c2)C(O)=O)c2ccccc12
Show InChI InChI=1S/C24H24N2O6/c1-15(27)26-13-20(19-6-2-3-7-21(19)26)23(28)25-18-11-16(10-17(12-18)24(29)30)14-32-22-8-4-5-9-31-22/h2-3,6-7,10-13,22H,4-5,8-9,14H2,1H3,(H,25,28)(H,29,30)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated-H4KAc4 binding to human His6-tagged TIF-1 (G896 to E1014 residues) expressed in Escherichia coli BL21(DE3) after 2.5 hrs b...


Eur J Med Chem 147: 238-252 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.087
BindingDB Entry DOI: 10.7270/Q2NZ8B5K
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2A/KAT2B


(Homo sapiens (Human))
BDBM50311438
PNG
(CHEMBL4169942)
Show SMILES CC(=O)n1cc(C(=O)Nc2cc(COC3CCCCO3)cc(c2)C(O)=O)c2ccccc12
Show InChI InChI=1S/C24H24N2O6/c1-15(27)26-13-20(19-6-2-3-7-21(19)26)23(28)25-18-11-16(10-17(12-18)24(29)30)14-32-22-8-4-5-9-31-22/h2-3,6-7,10-13,22H,4-5,8-9,14H2,1H3,(H,25,28)(H,29,30)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated-H4KAc4 binding to human His6-tagged PCAF (G715 to D831 residues) expressed in Escherichia coli BL21(DE3) after 2.5 hrs by ...


Eur J Med Chem 147: 238-252 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.087
BindingDB Entry DOI: 10.7270/Q2NZ8B5K
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens (Human))
BDBM50311438
PNG
(CHEMBL4169942)
Show SMILES CC(=O)n1cc(C(=O)Nc2cc(COC3CCCCO3)cc(c2)C(O)=O)c2ccccc12
Show InChI InChI=1S/C24H24N2O6/c1-15(27)26-13-20(19-6-2-3-7-21(19)26)23(28)25-18-11-16(10-17(12-18)24(29)30)14-32-22-8-4-5-9-31-22/h2-3,6-7,10-13,22H,4-5,8-9,14H2,1H3,(H,25,28)(H,29,30)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated-H4KAc4 binding to human His6-tagged BAZ2B (S1858 to S1972 residues) expressed in Escherichia coli BL21(DE3) after 2.5 hrs ...


Eur J Med Chem 147: 238-252 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.087
BindingDB Entry DOI: 10.7270/Q2NZ8B5K
More data for this
Ligand-Target Pair