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BDBM50340090 4-methoxybenzamide::CHEMBL449635

SMILES: COc1ccc(cc1)C(N)=O

InChI Key: InChIKey=GUCPYIYFQVTFSI-UHFFFAOYSA-N

Data: 2 KI  13 IC50

PDB links: 1 PDB ID matches this monomer.

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 15 hits for monomerid = 50340090   
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
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50340090
PNG
(4-methoxybenzamide | CHEMBL449635)
Show SMILES COc1ccc(cc1)C(N)=O
Show InChI InChI=1S/C8H9NO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H2,9,10)
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Article
PubMed
2.18E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 2 by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 21: 2521-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.057
BindingDB Entry DOI: 10.7270/Q2X63N76
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50340090
PNG
(4-methoxybenzamide | CHEMBL449635)
Show SMILES COc1ccc(cc1)C(N)=O
Show InChI InChI=1S/C8H9NO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H2,9,10)
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PubMed
4.34E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 1 by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 21: 2521-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.057
BindingDB Entry DOI: 10.7270/Q2X63N76
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 4


(Homo sapiens (Human))
BDBM50340090
PNG
(4-methoxybenzamide | CHEMBL449635)
Show SMILES COc1ccc(cc1)C(N)=O
Show InChI InChI=1S/C8H9NO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H2,9,10)
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n/an/a 6.50E+4n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human ARTD4 (250 to 565 residues) expressed in Escherichia coli Rosetta2 (DE3) using TCEP as substrate after 2.5 ...


Eur J Med Chem 156: 93-102 (2018)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 10


(Homo sapiens (Human))
BDBM50340090
PNG
(4-methoxybenzamide | CHEMBL449635)
Show SMILES COc1ccc(cc1)C(N)=O
Show InChI InChI=1S/C8H9NO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H2,9,10)
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n/an/a 2.75E+3n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 1...


Eur J Med Chem 156: 93-102 (2018)

More data for this
Ligand-Target Pair
Mono [ADP-ribose] polymerase PARP16


(Homo sapiens (Human))
BDBM50340090
PNG
(4-methoxybenzamide | CHEMBL449635)
Show SMILES COc1ccc(cc1)C(N)=O
Show InChI InChI=1S/C8H9NO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H2,9,10)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human ARTD15 (1 to 280 residues) expressed in Escherichia coli Rosetta2 (DE3) after 24 hrs in presence of NAD+


Eur J Med Chem 156: 93-102 (2018)

More data for this
Ligand-Target Pair
PARP 1, 2 and 3


(Homo sapiens (Human))
BDBM50340090
PNG
(4-methoxybenzamide | CHEMBL449635)
Show SMILES COc1ccc(cc1)C(N)=O
Show InChI InChI=1S/C8H9NO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H2,9,10)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged thioredoxin-fused human ARTD3 (1 to 533 residues) expressed in Escherichia coli Rosetta2 (DE3) using DNA as subst...


Eur J Med Chem 156: 93-102 (2018)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 14


(Homo sapiens (Human))
BDBM50340090
PNG
(4-methoxybenzamide | CHEMBL449635)
Show SMILES COc1ccc(cc1)C(N)=O
Show InChI InChI=1S/C8H9NO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H2,9,10)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged thioredoxin-fused human ARTD8 (1535 to 1801 residues) expressed in Escherichia coli Rosetta2 (DE3) after 21 hrs i...


Eur J Med Chem 156: 93-102 (2018)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50340090
PNG
(4-methoxybenzamide | CHEMBL449635)
Show SMILES COc1ccc(cc1)C(N)=O
Show InChI InChI=1S/C8H9NO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H2,9,10)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human ARTD5 (1030 to 1317 residues) expressed in Escherichia coli Rosetta2 (DE3) using TCEP as substrate after 18...


Eur J Med Chem 156: 93-102 (2018)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM50340090
PNG
(4-methoxybenzamide | CHEMBL449635)
Show SMILES COc1ccc(cc1)C(N)=O
Show InChI InChI=1S/C8H9NO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H2,9,10)
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n/an/a 7.70E+4n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged thioredoxin-fused human ARTD2 (1 to 583 residues) expressed in Escherichia coli Rosetta2 (DE3) using activated DN...


Eur J Med Chem 156: 93-102 (2018)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50340090
PNG
(4-methoxybenzamide | CHEMBL449635)
Show SMILES COc1ccc(cc1)C(N)=O
Show InChI InChI=1S/C8H9NO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H2,9,10)
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n/an/a 5.70E+4n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human ARTD1 (1 to 1014 residues) expressed in Escherichia coli Rosetta2 (DE3) using activated DNA as substrate af...


Eur J Med Chem 156: 93-102 (2018)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50340090
PNG
(4-methoxybenzamide | CHEMBL449635)
Show SMILES COc1ccc(cc1)C(N)=O
Show InChI InChI=1S/C8H9NO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H2,9,10)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Z-basic-fused human ARTD6 (873 to 1161 residues) expressed in Escherichia coli Rosetta2 (DE3) using TCEP as subst...


Eur J Med Chem 156: 93-102 (2018)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 10


(Homo sapiens (Human))
BDBM50340090
PNG
(4-methoxybenzamide | CHEMBL449635)
Show SMILES COc1ccc(cc1)C(N)=O
Show InChI InChI=1S/C8H9NO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H2,9,10)
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n/an/a 2.80E+3n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 1...


Eur J Med Chem 156: 93-102 (2018)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 15


(Homo sapiens (Human))
BDBM50340090
PNG
(4-methoxybenzamide | CHEMBL449635)
Show SMILES COc1ccc(cc1)C(N)=O
Show InChI InChI=1S/C8H9NO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H2,9,10)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human ARTD7 (482 to 678 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 3 h...


Eur J Med Chem 156: 93-102 (2018)

More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase (NNMT)


(Homo sapiens (Human))
BDBM50340090
PNG
(4-methoxybenzamide | CHEMBL449635)
Show SMILES COc1ccc(cc1)C(N)=O
Show InChI InChI=1S/C8H9NO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H2,9,10)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human NNMT at 30 uM preincubated for 30 mins followed by nicotinamide substrate and SAM addition measured after 60 mins by fluorescence...


Bioorg Med Chem Lett 28: 922-925 (2018)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 12


(Homo sapiens (Human))
BDBM50340090
PNG
(4-methoxybenzamide | CHEMBL449635)
Show SMILES COc1ccc(cc1)C(N)=O
Show InChI InChI=1S/C8H9NO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H2,9,10)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged thioredoxin-fused human ARTD12 (469 to 701 residues) expressed in Escherichia coli Rosetta2 (DE3) after 20 hrs in...


Eur J Med Chem 156: 93-102 (2018)

More data for this
Ligand-Target Pair