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BDBM50339587 2-(4-hydroxyphenyl)acetamide::4-Hydroxyphenylacetamide::CHEMBL447310::p-hydroxyphenylacetamide

SMILES: NC(=O)Cc1ccc(O)cc1

InChI Key: InChIKey=YBPAYPRLUDCSEY-UHFFFAOYSA-N

Data: 6 KI  1 EC50

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 7 hits for monomerid = 50339587   
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 (Can2)


(Cryptococcus neoformans var. grubii (Filobasidiell...)
BDBM50339587
PNG
(2-(4-hydroxyphenyl)acetamide | 4-Hydroxyphenylacet...)
Show SMILES NC(=O)Cc1ccc(O)cc1
Show InChI InChI=1S/C8H9NO2/c9-8(11)5-6-1-3-7(10)4-2-6/h1-4,10H,5H2,(H2,9,11)
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840n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of Cryptococcus neoformans recombinant Can2 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay


J Med Chem 54: 1682-92 (2011)

More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM50339587
PNG
(2-(4-hydroxyphenyl)acetamide | 4-Hydroxyphenylacet...)
Show SMILES NC(=O)Cc1ccc(O)cc1
Show InChI InChI=1S/C8H9NO2/c9-8(11)5-6-1-3-7(10)4-2-6/h1-4,10H,5H2,(H2,9,11)
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KEGG

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850n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant Rv1284 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay


J Med Chem 54: 1682-92 (2011)

More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50339587
PNG
(2-(4-hydroxyphenyl)acetamide | 4-Hydroxyphenylacet...)
Show SMILES NC(=O)Cc1ccc(O)cc1
Show InChI InChI=1S/C8H9NO2/c9-8(11)5-6-1-3-7(10)4-2-6/h1-4,10H,5H2,(H2,9,11)
KEGG

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910n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans recombinant Nce103 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay


J Med Chem 54: 1682-92 (2011)

More data for this
Ligand-Target Pair
PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)


(Mycobacterium tuberculosis)
BDBM50339587
PNG
(2-(4-hydroxyphenyl)acetamide | 4-Hydroxyphenylacet...)
Show SMILES NC(=O)Cc1ccc(O)cc1
Show InChI InChI=1S/C8H9NO2/c9-8(11)5-6-1-3-7(10)4-2-6/h1-4,10H,5H2,(H2,9,11)
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9.12E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant Rv3273 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay


J Med Chem 54: 1682-92 (2011)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50339587
PNG
(2-(4-hydroxyphenyl)acetamide | 4-Hydroxyphenylacet...)
Show SMILES NC(=O)Cc1ccc(O)cc1
Show InChI InChI=1S/C8H9NO2/c9-8(11)5-6-1-3-7(10)4-2-6/h1-4,10H,5H2,(H2,9,11)
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1.12E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant alpha-carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay


J Med Chem 54: 1682-92 (2011)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50339587
PNG
(2-(4-hydroxyphenyl)acetamide | 4-Hydroxyphenylacet...)
Show SMILES NC(=O)Cc1ccc(O)cc1
Show InChI InChI=1S/C8H9NO2/c9-8(11)5-6-1-3-7(10)4-2-6/h1-4,10H,5H2,(H2,9,11)
PDB
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3.09E+5n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant alpha-carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay


J Med Chem 54: 1682-92 (2011)

More data for this
Ligand-Target Pair
Olfactory receptor class A 1 (ORA1)


(Danio rerio (Zebrafish))
BDBM50339587
PNG
(2-(4-hydroxyphenyl)acetamide | 4-Hydroxyphenylacet...)
Show SMILES NC(=O)Cc1ccc(O)cc1
Show InChI InChI=1S/C8H9NO2/c9-8(11)5-6-1-3-7(10)4-2-6/h1-4,10H,5H2,(H2,9,11)
UniProtKB/TrEMBL

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n/an/an/an/a 2.00E+5n/an/an/an/a



German Institute of Human Nutrition Potsdam-Rehbruecke



Assay Description
Briefly, HEK 293T cells stably expressing the G protein-chimera Gα16gust44 were seeded onto 96-well plates coated with 10 μg/ml of poly-D-l...


J Biol Chem 289: 19778-88 (2014)

More data for this
Ligand-Target Pair