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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Acyl-CoA:dihydroxyacetonephosphateacyltransferase'   
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
Acyl-CoA:dihydroxyacetonephosphateacyltransferase


(Homo sapiens)
BDBM50068943
PNG
((S)-2-(3-Carboxy-propionylamino)-6-hydrazino-hepta...)
Show SMILES NNC(CCC[C@H](NC(=O)CCC(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H19N3O7/c12-14-7(11(20)21)3-1-2-6(10(18)19)13-8(15)4-5-9(16)17/h6-7,14H,1-5,12H2,(H,13,15)(H,16,17)(H,18,19)(H,20,21)/t6-,7?/m0/s1
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22n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against N-Succinyl Diaminopimelic Acid Aminotransferase from E. coli


Bioorg Med Chem Lett 8: 945-50 (1999)

More data for this
Ligand-Target Pair
Acyl-CoA:dihydroxyacetonephosphateacyltransferase


(Homo sapiens)
BDBM50068942
PNG
((S)-2-((S)-2-Acetylamino-3-carboxy-propionylamino)...)
Show SMILES CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCC(NN)C(O)=O)C(O)=O
Show InChI InChI=1S/C13H22N4O8/c1-6(18)15-9(5-10(19)20)11(21)16-7(12(22)23)3-2-4-8(17-14)13(24)25/h7-9,17H,2-5,14H2,1H3,(H,15,18)(H,16,21)(H,19,20)(H,22,23)(H,24,25)/t7-,8?,9-/m0/s1
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169n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against N-Succinyl Diaminopimelic Acid Aminotransferase from E. coli


Bioorg Med Chem Lett 8: 945-50 (1999)

More data for this
Ligand-Target Pair
Acyl-CoA:dihydroxyacetonephosphateacyltransferase


(Homo sapiens)
BDBM50068940
PNG
((S)-2-((S)-2-Acetylamino-3-phenyl-propionylamino)-...)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC(NN)C(O)=O)C(O)=O
Show InChI InChI=1S/C18H26N4O6/c1-11(23)20-15(10-12-6-3-2-4-7-12)16(24)21-13(17(25)26)8-5-9-14(22-19)18(27)28/h2-4,6-7,13-15,22H,5,8-10,19H2,1H3,(H,20,23)(H,21,24)(H,25,26)(H,27,28)/t13-,14?,15-/m0/s1
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556n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against N-Succinyl Diaminopimelic Acid Aminotransferase from E. coli


Bioorg Med Chem Lett 8: 945-50 (1999)

More data for this
Ligand-Target Pair
Acyl-CoA:dihydroxyacetonephosphateacyltransferase


(Homo sapiens)
BDBM50068943
PNG
((S)-2-(3-Carboxy-propionylamino)-6-hydrazino-hepta...)
Show SMILES NNC(CCC[C@H](NC(=O)CCC(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H19N3O7/c12-14-7(11(20)21)3-1-2-6(10(18)19)13-8(15)4-5-9(16)17/h6-7,14H,1-5,12H2,(H,13,15)(H,16,17)(H,18,19)(H,20,21)/t6-,7?/m0/s1
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n/an/a 500n/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Compound was tested for 50% inhibition of N-Succinyl Diaminopimelic Acid Aminotransferase (DAP-AT) from E. coli.


Bioorg Med Chem Lett 8: 945-50 (1999)

More data for this
Ligand-Target Pair
Acyl-CoA:dihydroxyacetonephosphateacyltransferase


(Homo sapiens)
BDBM50068942
PNG
((S)-2-((S)-2-Acetylamino-3-carboxy-propionylamino)...)
Show SMILES CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCC(NN)C(O)=O)C(O)=O
Show InChI InChI=1S/C13H22N4O8/c1-6(18)15-9(5-10(19)20)11(21)16-7(12(22)23)3-2-4-8(17-14)13(24)25/h7-9,17H,2-5,14H2,1H3,(H,15,18)(H,16,21)(H,19,20)(H,22,23)(H,24,25)/t7-,8?,9-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Compound was tested for 50% inhibition of N-Succinyl Diaminopimelic Acid Aminotransferase (DAP-AT) from E. coli.


Bioorg Med Chem Lett 8: 945-50 (1999)

More data for this
Ligand-Target Pair
Acyl-CoA:dihydroxyacetonephosphateacyltransferase


(Homo sapiens)
BDBM50068940
PNG
((S)-2-((S)-2-Acetylamino-3-phenyl-propionylamino)-...)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC(NN)C(O)=O)C(O)=O
Show InChI InChI=1S/C18H26N4O6/c1-11(23)20-15(10-12-6-3-2-4-7-12)16(24)21-13(17(25)26)8-5-9-14(22-19)18(27)28/h2-4,6-7,13-15,22H,5,8-10,19H2,1H3,(H,20,23)(H,21,24)(H,25,26)(H,27,28)/t13-,14?,15-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Compound was tested for 50% inhibition of N-Succinyl Diaminopimelic Acid Aminotransferase (DAP-AT) from E. coli


Bioorg Med Chem Lett 8: 945-50 (1999)

More data for this
Ligand-Target Pair
Acyl-CoA:dihydroxyacetonephosphateacyltransferase


(Homo sapiens)
BDBM50068941
PNG
(CHEMBL173513 | dilithium 2-[1-methylcarboxamido-2-...)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC(=O)C([O-])=O)C([O-])=O
Show InChI InChI=1S/C18H22N2O7/c1-11(21)19-14(10-12-6-3-2-4-7-12)16(23)20-13(17(24)25)8-5-9-15(22)18(26)27/h2-4,6-7,13-14H,5,8-10H2,1H3,(H,19,21)(H,20,23)(H,24,25)(H,26,27)/p-2/t13-,14-/m0/s1
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n/an/a>5.00E+7n/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Compound was tested for 50% inhibition of N-Succinyl Diaminopimelic Acid Aminotransferase (DAP-AT) from E. coli.


Bioorg Med Chem Lett 8: 945-50 (1999)

More data for this
Ligand-Target Pair