Compile Data Set for Download or QSAR

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

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Dihydroxyacetone phosphate acyltransferase (Homo sapiens (Human))	BDBM50068943 ((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	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q23F4NR8
					More data for this Ligand-Target Pair
Dihydroxyacetone phosphate acyltransferase (Homo sapiens (Human))	BDBM50068942 ((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	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	169	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q23F4NR8
					More data for this Ligand-Target Pair
Dihydroxyacetone phosphate acyltransferase (Homo sapiens (Human))	BDBM50068940 ((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 antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	556	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q23F4NR8
					More data for this Ligand-Target Pair
Dihydroxyacetone phosphate acyltransferase (Homo sapiens (Human))	BDBM50068943 ((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	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q23F4NR8
					More data for this Ligand-Target Pair
Dihydroxyacetone phosphate acyltransferase (Homo sapiens (Human))	BDBM50068942 ((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	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q23F4NR8
					More data for this Ligand-Target Pair
Dihydroxyacetone phosphate acyltransferase (Homo sapiens (Human))	BDBM50068940 ((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 antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q23F4NR8
					More data for this Ligand-Target Pair
Dihydroxyacetone phosphate acyltransferase (Homo sapiens (Human))	BDBM50068941 (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	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+7	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q23F4NR8
					More data for this Ligand-Target Pair