Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Glutathionylspermidine synthase' and Ligand = 'BDBM50118638'   

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
Glutathionylspermidine synthase (Crithidia fasciculata)	BDBM50118638 (2-[(S)-2-((S)-4-Amino-4-carboxy-butyrylamino)-4-me...) Show SMILES CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C17H32N6O6/c1-9(2)8-12(22-13(24)6-5-10(18)15(26)27)14(25)23-11(16(28)29)4-3-7-21-17(19)20/h9-12H,3-8,18H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)(H,28,29)(H4,19,20,21)/t10-,11-,12-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UIA) Curated by ChEMBL					Assay Description Inhibitory constant of the compound was tested against glutathionylspermidine synthetase (GspS) in Crithidia fasciculata				Bioorg Med Chem Lett 12: 2703-5 (2002) BindingDB Entry DOI: 10.7270/Q2MS3S34
					More data for this Ligand-Target Pair
Glutathionylspermidine synthase (Crithidia fasciculata)	BDBM50118638 (2-[(S)-2-((S)-4-Amino-4-carboxy-butyrylamino)-4-me...) Show SMILES CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C17H32N6O6/c1-9(2)8-12(22-13(24)6-5-10(18)15(26)27)14(25)23-11(16(28)29)4-3-7-21-17(19)20/h9-12H,3-8,18H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)(H,28,29)(H4,19,20,21)/t10-,11-,12-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UIA) Curated by ChEMBL					Assay Description Inhibitory constant of the compound was tested against glutathionylspermidine synthetase (GspS) in Crithidia fasciculata				Bioorg Med Chem Lett 12: 2703-5 (2002) BindingDB Entry DOI: 10.7270/Q2MS3S34
					More data for this Ligand-Target Pair
Glutathionylspermidine synthase (Crithidia fasciculata)	BDBM50118638 (2-[(S)-2-((S)-4-Amino-4-carboxy-butyrylamino)-4-me...) Show SMILES CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C17H32N6O6/c1-9(2)8-12(22-13(24)6-5-10(18)15(26)27)14(25)23-11(16(28)29)4-3-7-21-17(19)20/h9-12H,3-8,18H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)(H,28,29)(H4,19,20,21)/t10-,11-,12-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UIA) Curated by ChEMBL					Assay Description Tested against glutathionylspermidine synthetase (GspS) in Crithidia fasciculata				Bioorg Med Chem Lett 12: 2703-5 (2002) BindingDB Entry DOI: 10.7270/Q2MS3S34
					More data for this Ligand-Target Pair