Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Glutathionylspermidine synthase' and Ligand = 'BDBM50117544'   

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)	BDBM50117544 (2-amino-4-(1-dihydroxyboronylmethylcarbamoyl-3-met...) Show SMILES CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCB(O)O Show InChI InChI=1S/C12H24BN3O6/c1-7(2)5-9(11(18)15-6-13(21)22)16-10(17)4-3-8(14)12(19)20/h7-9,21-22H,3-6,14H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)/t8-,9-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	8.10E+4	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 Inhibition constant of the compound was evaluated against enzyme Glutathionylspermidine Synthetase wild-type enzyme				Bioorg Med Chem Lett 12: 2553-6 (2002) BindingDB Entry DOI: 10.7270/Q2057F8Z
					More data for this Ligand-Target Pair
Glutathionylspermidine synthase (Crithidia fasciculata)	BDBM50117544 (2-amino-4-(1-dihydroxyboronylmethylcarbamoyl-3-met...) Show SMILES CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCB(O)O Show InChI InChI=1S/C12H24BN3O6/c1-7(2)5-9(11(18)15-6-13(21)22)16-10(17)4-3-8(14)12(19)20/h7-9,21-22H,3-6,14H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)/t8-,9-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	8.10E+4	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 Concentration of the compound required for the inhibition of enzyme Glutathionylspermidine Synthetase wild-type enzyme				Bioorg Med Chem Lett 12: 2553-6 (2002) BindingDB Entry DOI: 10.7270/Q2057F8Z
					More data for this Ligand-Target Pair
Glutathionylspermidine synthase (Crithidia fasciculata)	BDBM50117544 (2-amino-4-(1-dihydroxyboronylmethylcarbamoyl-3-met...) Show SMILES CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCB(O)O Show InChI InChI=1S/C12H24BN3O6/c1-7(2)5-9(11(18)15-6-13(21)22)16-10(17)4-3-8(14)12(19)20/h7-9,21-22H,3-6,14H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)/t8-,9-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	1.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UIA) Curated by ChEMBL					Assay Description Concentration of the compound required for the inhibition of enzyme Glutathionylspermidine Synthetase wild-type enzyme				Bioorg Med Chem Lett 12: 2553-6 (2002) BindingDB Entry DOI: 10.7270/Q2057F8Z
					More data for this Ligand-Target Pair