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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'Carnitine acetylase' AND taxid = 9606   
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
Carnitine acetylase


(Homo sapiens)
BDBM50037266
PNG
((2-Acetylamino-3-carboxy-propyl)-trimethyl-ammoniu...)
Show SMILES CC(=O)NC(CC([O-])=O)C[N+](C)(C)C
Show InChI InChI=1S/C9H18N2O3/c1-7(12)10-8(5-9(13)14)6-11(2,3)4/h8H,5-6H2,1-4H3,(H-,10,12,13,14)
PDB
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PubMed
2.40E+4n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Tested against pigeon breast carnitine acyltransferase


J Med Chem 37: 3247-51 (1994)

More data for this
Ligand-Target Pair
Carnitine acetylase


(Homo sapiens)
BDBM50037264
PNG
((S)-3-Amino-5,5-dimethyl-hexanoic acid anion)
Show SMILES CC(C)(C)C[C@H](N)CC([O-])=O
Show InChI InChI=1S/C8H17NO2/c1-8(2,3)5-6(9)4-7(10)11/h6H,4-5,9H2,1-3H3,(H,10,11)/p-1/t6-/m1/s1
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PubMed
1.90E+6n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Tested against pigeon breast carnitine acyltransferase


J Med Chem 37: 3247-51 (1994)

More data for this
Ligand-Target Pair
Carnitine acetylase


(Homo sapiens)
BDBM50037260
PNG
(3-Amino-5,5-dimethyl-hexanoic acid anion)
Show SMILES CC(C)(C)CC(N)CC([O-])=O
Show InChI InChI=1S/C8H17NO2/c1-8(2,3)5-6(9)4-7(10)11/h6H,4-5,9H2,1-3H3,(H,10,11)/p-1
PDB
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PubMed
2.60E+6n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Tested against pigeon breast carnitine acyltransferase


J Med Chem 37: 3247-51 (1994)

More data for this
Ligand-Target Pair
Carnitine acetylase


(Homo sapiens)
BDBM50037270
PNG
((2-Amino-3-carboxy-propyl)-trimethyl-ammonium | 3-...)
Show SMILES C[N+](C)(C)CC(N)CC([O-])=O
Show InChI InChI=1S/C7H16N2O2/c1-9(2,3)5-6(8)4-7(10)11/h6H,4-5,8H2,1-3H3
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PubMed
4.00E+6n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Tested against pigeon breast carnitine acyltransferase


J Med Chem 37: 3247-51 (1994)

More data for this
Ligand-Target Pair
Carnitine acetylase


(Homo sapiens)
BDBM50037269
PNG
(3-Acetyl-5,5-dimethyl-hexanoic acid anion)
Show SMILES CC(=O)C(CC([O-])=O)CC(C)(C)C
Show InChI InChI=1S/C10H18O3/c1-7(11)8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3,(H,12,13)/p-1
PDB
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PubMed
4.10E+6n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Tested against pigeon breast carnitine acyltransferase


J Med Chem 37: 3247-51 (1994)

More data for this
Ligand-Target Pair
Carnitine acetylase


(Homo sapiens)
BDBM50037262
PNG
((R)-3-Hydroxy-5,5-dimethyl-hexanoic acid anion)
Show SMILES CC(C)(C)C[C@@H](O)CC([O-])=O
Show InChI InChI=1S/C8H16O3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3,(H,10,11)/p-1/t6-/m0/s1
PDB
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PubMed
7.50E+6n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Tested against pigeon breast carnitine acyltransferase


J Med Chem 37: 3247-51 (1994)

More data for this
Ligand-Target Pair
Carnitine acetylase


(Homo sapiens)
BDBM50037261
PNG
(3-Hydroxy-5,5-dimethyl-hexanoic acid anion)
Show SMILES CC(C)(C)CC(O)CC([O-])=O
Show InChI InChI=1S/C8H16O3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3,(H,10,11)/p-1
PDB
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PubMed
8.30E+6n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Tested against pigeon breast carnitine acyltransferase


J Med Chem 37: 3247-51 (1994)

More data for this
Ligand-Target Pair
Carnitine acetylase


(Homo sapiens)
BDBM50037267
PNG
((R)-3-Amino-5,5-dimethyl-hexanoic acid anion)
Show SMILES CC(C)(C)C[C@@H](N)CC([O-])=O
Show InChI InChI=1S/C8H17NO2/c1-8(2,3)5-6(9)4-7(10)11/h6H,4-5,9H2,1-3H3,(H,10,11)/p-1/t6-/m0/s1
PDB
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PubMed
9.20E+6n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Tested against pigeon breast carnitine acyltransferase


J Med Chem 37: 3247-51 (1994)

More data for this
Ligand-Target Pair
Carnitine acetylase


(Homo sapiens)
BDBM50037263
PNG
((S)-3-Hydroxy-5,5-dimethyl-hexanoic acid anion)
Show SMILES CC(C)(C)C[C@H](O)CC([O-])=O
Show InChI InChI=1S/C8H16O3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3,(H,10,11)/p-1/t6-/m1/s1
PDB
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PubMed
2.03E+7n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Tested against pigeon breast carnitine acyltransferase


J Med Chem 37: 3247-51 (1994)

More data for this
Ligand-Target Pair
Carnitine acetylase


(Homo sapiens)
BDBM50037265
PNG
(3-Acetylamino-5,5-dimethyl-hexanoic acid anion)
Show SMILES CC(=O)NC(CC([O-])=O)CC(C)(C)C
Show InChI InChI=1S/C10H19NO3/c1-7(12)11-8(5-9(13)14)6-10(2,3)4/h8H,5-6H2,1-4H3,(H,11,12)(H,13,14)/p-1
PDB
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PubMed
2.50E+7n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Tested against pigeon breast carnitine acyltransferase


J Med Chem 37: 3247-51 (1994)

More data for this
Ligand-Target Pair