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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acyl-CoA:dihydroxyacetonephosphateacyltransferase' and Ligand = 'BDBM50068940'   
Target/Host
(Institution)
LigandTarget/Host
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)
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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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


Article DOI: 10.1016/s0960-894x(98)00149-8
BindingDB Entry DOI: 10.7270/Q23F4NR8
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
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


Article DOI: 10.1016/s0960-894x(98)00149-8
BindingDB Entry DOI: 10.7270/Q23F4NR8
More data for this
Ligand-Target Pair