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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Arylamine N-acetyltransferase'   
Target
(Institution)
LigandTarget
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
Arylamine N-acetyltransferase


(Mycobacterium smegmatis)
BDBM50336284
PNG
(3-[3'-(2''cyclopent-2'''-en-1'''-ylphenoxy)-2'-hyd...)
Show SMILES CC1(C)NC(=O)N(CC(O)COc2ccccc2C2CCCC2)C1=O
Show InChI InChI=1S/C19H26N2O4/c1-19(2)17(23)21(18(24)20-19)11-14(22)12-25-16-10-6-5-9-15(16)13-7-3-4-8-13/h5-6,9-10,13-14,22H,3-4,7-8,11-12H2,1-2H3,(H,20,24)
PDB
MMDB

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Article
PubMed
n/an/a 9.40E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis NAT using isoniazed substrate by acetyl-coA hydrolysis assay


Bioorg Med Chem Lett 21: 1185-90 (2011)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase


(Pseudomonas aeruginosa)
BDBM50336284
PNG
(3-[3'-(2''cyclopent-2'''-en-1'''-ylphenoxy)-2'-hyd...)
Show SMILES CC1(C)NC(=O)N(CC(O)COc2ccccc2C2CCCC2)C1=O
Show InChI InChI=1S/C19H26N2O4/c1-19(2)17(23)21(18(24)20-19)11-14(22)12-25-16-10-6-5-9-15(16)13-7-3-4-8-13/h5-6,9-10,13-14,22H,3-4,7-8,11-12H2,1-2H3,(H,20,24)
PDB
MMDB

KEGG

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Article
PubMed
n/an/a 1.62E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa NAT using 5-aminosalicylate substrate by acetyl-coA hydrolysis assay


Bioorg Med Chem Lett 21: 1185-90 (2011)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase


(Mycobacterium smegmatis)
BDBM50336284
PNG
(3-[3'-(2''cyclopent-2'''-en-1'''-ylphenoxy)-2'-hyd...)
Show SMILES CC1(C)NC(=O)N(CC(O)COc2ccccc2C2CCCC2)C1=O
Show InChI InChI=1S/C19H26N2O4/c1-19(2)17(23)21(18(24)20-19)11-14(22)12-25-16-10-6-5-9-15(16)13-7-3-4-8-13/h5-6,9-10,13-14,22H,3-4,7-8,11-12H2,1-2H3,(H,20,24)
PDB
MMDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.77E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis NAT using 5-aminosalicylate substrate by acetyl-coA hydrolysis assay


Bioorg Med Chem Lett 21: 1185-90 (2011)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase


(Pseudomonas aeruginosa)
BDBM50336284
PNG
(3-[3'-(2''cyclopent-2'''-en-1'''-ylphenoxy)-2'-hyd...)
Show SMILES CC1(C)NC(=O)N(CC(O)COc2ccccc2C2CCCC2)C1=O
Show InChI InChI=1S/C19H26N2O4/c1-19(2)17(23)21(18(24)20-19)11-14(22)12-25-16-10-6-5-9-15(16)13-7-3-4-8-13/h5-6,9-10,13-14,22H,3-4,7-8,11-12H2,1-2H3,(H,20,24)
PDB
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KEGG

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Article
PubMed
n/an/a 3.70E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa NAT using isoniazed substrate by acetyl-coA hydrolysis assay


Bioorg Med Chem Lett 21: 1185-90 (2011)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase


(Mycobacterium smegmatis)
BDBM50336283
PNG
(3-[3'-(4-cyclopent-2'''-en-1'''-ylphenoxy)-2'-hydr...)
Show SMILES CC1(C)NC(=O)N(CC(O)COc2ccc(cc2)C2CCCC2)C1=O
Show InChI InChI=1S/C19H26N2O4/c1-19(2)17(23)21(18(24)20-19)11-15(22)12-25-16-9-7-14(8-10-16)13-5-3-4-6-13/h7-10,13,15,22H,3-6,11-12H2,1-2H3,(H,20,24)
PDB
MMDB

UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis NAT using isoniazed substrate by acetyl-coA hydrolysis assay


Bioorg Med Chem Lett 21: 1185-90 (2011)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase


(Pseudomonas aeruginosa)
BDBM50336283
PNG
(3-[3'-(4-cyclopent-2'''-en-1'''-ylphenoxy)-2'-hydr...)
Show SMILES CC1(C)NC(=O)N(CC(O)COc2ccc(cc2)C2CCCC2)C1=O
Show InChI InChI=1S/C19H26N2O4/c1-19(2)17(23)21(18(24)20-19)11-15(22)12-25-16-9-7-14(8-10-16)13-5-3-4-6-13/h7-10,13,15,22H,3-6,11-12H2,1-2H3,(H,20,24)
PDB
MMDB

KEGG

B.MOAD
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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa NAT using isoniazed substrate by acetyl-coA hydrolysis assay


Bioorg Med Chem Lett 21: 1185-90 (2011)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase


(Pseudomonas aeruginosa)
BDBM50336283
PNG
(3-[3'-(4-cyclopent-2'''-en-1'''-ylphenoxy)-2'-hydr...)
Show SMILES CC1(C)NC(=O)N(CC(O)COc2ccc(cc2)C2CCCC2)C1=O
Show InChI InChI=1S/C19H26N2O4/c1-19(2)17(23)21(18(24)20-19)11-15(22)12-25-16-9-7-14(8-10-16)13-5-3-4-6-13/h7-10,13,15,22H,3-6,11-12H2,1-2H3,(H,20,24)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa NAT using 5-aminosalicylate substrate by acetyl-coA hydrolysis assay


Bioorg Med Chem Lett 21: 1185-90 (2011)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase


(Mycobacterium smegmatis)
BDBM50336283
PNG
(3-[3'-(4-cyclopent-2'''-en-1'''-ylphenoxy)-2'-hydr...)
Show SMILES CC1(C)NC(=O)N(CC(O)COc2ccc(cc2)C2CCCC2)C1=O
Show InChI InChI=1S/C19H26N2O4/c1-19(2)17(23)21(18(24)20-19)11-15(22)12-25-16-9-7-14(8-10-16)13-5-3-4-6-13/h7-10,13,15,22H,3-6,11-12H2,1-2H3,(H,20,24)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis NAT using 5-aminosalicylate substrate by acetyl-coA hydrolysis assay


Bioorg Med Chem Lett 21: 1185-90 (2011)

More data for this
Ligand-Target Pair