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BDBM50346552 CHEMBL1797936

SMILES: Cc1cc(-c2ccc(C=c3c(=C)[nH]n(-c4ccc(cc4)C(O)=O)c3=O)o2)c(cc1C)[N+]([O-])=O

InChI Key: InChIKey=QZBUMRNGAHPCMI-UHFFFAOYSA-N

Data: 2 KI  10 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 12 hits for monomerid = 50346552   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50346552
PNG
(CHEMBL1797936)
Show SMILES Cc1cc(-c2ccc(C=c3c(=C)[nH]n(-c4ccc(cc4)C(O)=O)c3=O)o2)c(cc1C)[N+]([O-])=O |w:8.7|
Show InChI InChI=1S/C24H19N3O6/c1-13-10-20(21(27(31)32)11-14(13)2)22-9-8-18(33-22)12-19-15(3)25-26(23(19)28)17-6-4-16(5-7-17)24(29)30/h4-12,25H,3H2,1-2H3,(H,29,30)
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400n/an/an/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of synthetic VMA-tagged p300 (1287 to 1652 residues) (unknown origin) expressed in Escherichia coli BL21(RIL)-DE3 cells using H4-15 peptid...


J Med Chem 59: 1249-70 (2016)


BindingDB Entry DOI: 10.7270/Q2DV1MRN
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50346552
PNG
(CHEMBL1797936)
Show SMILES Cc1cc(-c2ccc(C=c3c(=C)[nH]n(-c4ccc(cc4)C(O)=O)c3=O)o2)c(cc1C)[N+]([O-])=O |w:8.7|
Show InChI InChI=1S/C24H19N3O6/c1-13-10-20(21(27(31)32)11-14(13)2)22-9-8-18(33-22)12-19-15(3)25-26(23(19)28)17-6-4-16(5-7-17)24(29)30/h4-12,25H,3H2,1-2H3,(H,29,30)
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400n/an/an/an/an/an/an/an/a



Martin-Luther University of Halle-Wittenberg

Curated by ChEMBL


Assay Description
Competitive inhibition of p300 HAT


Bioorg Med Chem 19: 3605-15 (2011)


Article DOI: 10.1016/j.bmc.2011.01.029
BindingDB Entry DOI: 10.7270/Q2SN0992
More data for this
Ligand-Target Pair
HIF1A/p300/CREB-binding protein


(Homo sapiens (Human))
BDBM50346552
PNG
(CHEMBL1797936)
Show SMILES Cc1cc(-c2ccc(C=c3c(=C)[nH]n(-c4ccc(cc4)C(O)=O)c3=O)o2)c(cc1C)[N+]([O-])=O |w:8.7|
Show InChI InChI=1S/C24H19N3O6/c1-13-10-20(21(27(31)32)11-14(13)2)22-9-8-18(33-22)12-19-15(3)25-26(23(19)28)17-6-4-16(5-7-17)24(29)30/h4-12,25H,3H2,1-2H3,(H,29,30)
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PubMed
n/an/a 6.80E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant P300 catalytic domain (1284 to 1673 residues) (unknown origin) using FITC- histone H4 peptide (1 to 19 residues) as substra...


ACS Med Chem Lett 7: 151-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00385
BindingDB Entry DOI: 10.7270/Q2HT2SB9
More data for this
Ligand-Target Pair
HIF1A/p300/CREB-binding protein


(Homo sapiens (Human))
BDBM50346552
PNG
(CHEMBL1797936)
Show SMILES Cc1cc(-c2ccc(C=c3c(=C)[nH]n(-c4ccc(cc4)C(O)=O)c3=O)o2)c(cc1C)[N+]([O-])=O |w:8.7|
Show InChI InChI=1S/C24H19N3O6/c1-13-10-20(21(27(31)32)11-14(13)2)22-9-8-18(33-22)12-19-15(3)25-26(23(19)28)17-6-4-16(5-7-17)24(29)30/h4-12,25H,3H2,1-2H3,(H,29,30)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of VMA intein chitin binding domain-fused P300 (unknown origin) (1287 to 1652 residues) expressed in Escherichia coli BL21(RIL)-DE3 cells ...


J Med Chem 63: 1337-1360 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01721
More data for this
Ligand-Target Pair
HIF1A/p300/CREB-binding protein


(Homo sapiens (Human))
BDBM50346552
PNG
(CHEMBL1797936)
Show SMILES Cc1cc(-c2ccc(C=c3c(=C)[nH]n(-c4ccc(cc4)C(O)=O)c3=O)o2)c(cc1C)[N+]([O-])=O |w:8.7|
Show InChI InChI=1S/C24H19N3O6/c1-13-10-20(21(27(31)32)11-14(13)2)22-9-8-18(33-22)12-19-15(3)25-26(23(19)28)17-6-4-16(5-7-17)24(29)30/h4-12,25H,3H2,1-2H3,(H,29,30)
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n/an/a 5.10E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant P300 (1195 to 1662 residues) (unknown origin) using FITC-histone H4 as substrate incubated for 10 mins by microfluidic elec...


ACS Med Chem Lett 7: 151-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00385
BindingDB Entry DOI: 10.7270/Q2HT2SB9
More data for this
Ligand-Target Pair
HIF1A/p300/CREB-binding protein


(Homo sapiens (Human))
BDBM50346552
PNG
(CHEMBL1797936)
Show SMILES Cc1cc(-c2ccc(C=c3c(=C)[nH]n(-c4ccc(cc4)C(O)=O)c3=O)o2)c(cc1C)[N+]([O-])=O |w:8.7|
Show InChI InChI=1S/C24H19N3O6/c1-13-10-20(21(27(31)32)11-14(13)2)22-9-8-18(33-22)12-19-15(3)25-26(23(19)28)17-6-4-16(5-7-17)24(29)30/h4-12,25H,3H2,1-2H3,(H,29,30)
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n/an/a 1.00E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant P300 (1195 to 1662 residues) (unknown origin) using FITC-histone H4 as substrate incubated for 10 mins by microfluidic elec...


ACS Med Chem Lett 7: 151-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00385
BindingDB Entry DOI: 10.7270/Q2HT2SB9
More data for this
Ligand-Target Pair
HIF1A/p300/CREB-binding protein


(Homo sapiens (Human))
BDBM50346552
PNG
(CHEMBL1797936)
Show SMILES Cc1cc(-c2ccc(C=c3c(=C)[nH]n(-c4ccc(cc4)C(O)=O)c3=O)o2)c(cc1C)[N+]([O-])=O |w:8.7|
Show InChI InChI=1S/C24H19N3O6/c1-13-10-20(21(27(31)32)11-14(13)2)22-9-8-18(33-22)12-19-15(3)25-26(23(19)28)17-6-4-16(5-7-17)24(29)30/h4-12,25H,3H2,1-2H3,(H,29,30)
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n/an/a 2.00E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant P300 (1195 to 1662 residues) (unknown origin) using FITC-histone H4 as substrate incubated for 10 mins by microfluidic elec...


ACS Med Chem Lett 7: 151-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00385
BindingDB Entry DOI: 10.7270/Q2HT2SB9
More data for this
Ligand-Target Pair
HIF1A/p300/CREB-binding protein


(Homo sapiens (Human))
BDBM50346552
PNG
(CHEMBL1797936)
Show SMILES Cc1cc(-c2ccc(C=c3c(=C)[nH]n(-c4ccc(cc4)C(O)=O)c3=O)o2)c(cc1C)[N+]([O-])=O |w:8.7|
Show InChI InChI=1S/C24H19N3O6/c1-13-10-20(21(27(31)32)11-14(13)2)22-9-8-18(33-22)12-19-15(3)25-26(23(19)28)17-6-4-16(5-7-17)24(29)30/h4-12,25H,3H2,1-2H3,(H,29,30)
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PubMed
n/an/a 230n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of p300 (unknown origin) using biotinylated histone H3 (1 to 21 residues) as substrate measured after 90 mins in presence of Acetyl CoA by...


Eur J Med Chem 180: 171-190 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.026
More data for this
Ligand-Target Pair
HIF1A/p300/CREB-binding protein


(Homo sapiens (Human))
BDBM50346552
PNG
(CHEMBL1797936)
Show SMILES Cc1cc(-c2ccc(C=c3c(=C)[nH]n(-c4ccc(cc4)C(O)=O)c3=O)o2)c(cc1C)[N+]([O-])=O |w:8.7|
Show InChI InChI=1S/C24H19N3O6/c1-13-10-20(21(27(31)32)11-14(13)2)22-9-8-18(33-22)12-19-15(3)25-26(23(19)28)17-6-4-16(5-7-17)24(29)30/h4-12,25H,3H2,1-2H3,(H,29,30)
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PubMed
n/an/a 400n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of p300 (unknown origin)


Eur J Med Chem 180: 171-190 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.026
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50346552
PNG
(CHEMBL1797936)
Show SMILES Cc1cc(-c2ccc(C=c3c(=C)[nH]n(-c4ccc(cc4)C(O)=O)c3=O)o2)c(cc1C)[N+]([O-])=O |w:8.7|
Show InChI InChI=1S/C24H19N3O6/c1-13-10-20(21(27(31)32)11-14(13)2)22-9-8-18(33-22)12-19-15(3)25-26(23(19)28)17-6-4-16(5-7-17)24(29)30/h4-12,25H,3H2,1-2H3,(H,29,30)
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n/an/a 9.00E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged p300 (1195 to 1673 residues) (unknown origin) expressed in competent Escherichia coli BL21-CodonPlus(DE3)-RIL cells using h...


J Med Chem 59: 1249-70 (2016)


BindingDB Entry DOI: 10.7270/Q2DV1MRN
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50346552
PNG
(CHEMBL1797936)
Show SMILES Cc1cc(-c2ccc(C=c3c(=C)[nH]n(-c4ccc(cc4)C(O)=O)c3=O)o2)c(cc1C)[N+]([O-])=O |w:8.7|
Show InChI InChI=1S/C24H19N3O6/c1-13-10-20(21(27(31)32)11-14(13)2)22-9-8-18(33-22)12-19-15(3)25-26(23(19)28)17-6-4-16(5-7-17)24(29)30/h4-12,25H,3H2,1-2H3,(H,29,30)
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of synthetic VMA-tagged p300 (1287 to 1652 residues) (unknown origin) expressed in Escherichia coli BL21(RIL)-DE3 cells using H4-15 peptid...


J Med Chem 59: 1249-70 (2016)


BindingDB Entry DOI: 10.7270/Q2DV1MRN
More data for this
Ligand-Target Pair
HIF1A/p300/CREB-binding protein


(Homo sapiens (Human))
BDBM50346552
PNG
(CHEMBL1797936)
Show SMILES Cc1cc(-c2ccc(C=c3c(=C)[nH]n(-c4ccc(cc4)C(O)=O)c3=O)o2)c(cc1C)[N+]([O-])=O |w:8.7|
Show InChI InChI=1S/C24H19N3O6/c1-13-10-20(21(27(31)32)11-14(13)2)22-9-8-18(33-22)12-19-15(3)25-26(23(19)28)17-6-4-16(5-7-17)24(29)30/h4-12,25H,3H2,1-2H3,(H,29,30)
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PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant P300 (1195 to 1662 residues) (unknown origin) using FITC-histone H4 as substrate incubated for 10 mins by microfluidic elec...


ACS Med Chem Lett 7: 151-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00385
BindingDB Entry DOI: 10.7270/Q2HT2SB9
More data for this
Ligand-Target Pair