Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for entry = 50012334   

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)	BDBM50117542 (2-Amino-4-[1-(hydroxycarbamoylmethyl-carbamoyl)-3-...) Show SMILES CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(=O)NO Show InChI InChI=1S/C13H24N4O6/c1-7(2)5-9(12(20)15-6-11(19)17-23)16-10(18)4-3-8(14)13(21)22/h7-9,23H,3-6,14H2,1-2H3,(H,15,20)(H,16,18)(H,17,19)(H,21,22)/t8-,9-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	2.50E+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 against amidase free Glutathionylspermidine Synthetase mutant (C79A)				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)	BDBM50117547 (2-Amino-4-[3-methyl-1-(phosphonomethyl-carbamoyl)-...) Show SMILES CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCP(O)(O)=O Show InChI InChI=1S/C12H24N3O7P/c1-7(2)5-9(11(17)14-6-23(20,21)22)15-10(16)4-3-8(13)12(18)19/h7-9H,3-6,13H2,1-2H3,(H,14,17)(H,15,16)(H,18,19)(H2,20,21,22)/t8-,9-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	6.00E+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	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)	BDBM50117543 (2-Amino-4-{3-methyl-1-[2-oxo-2-(toluene-4-sulfonyl...) Show SMILES CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(=O)NS(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C20H30N4O7S/c1-12(2)10-16(23-17(25)9-8-15(21)20(28)29)19(27)22-11-18(26)24-32(30,31)14-6-4-13(3)5-7-14/h4-7,12,15-16H,8-11,21H2,1-3H3,(H,22,27)(H,23,25)(H,24,26)(H,28,29)/t15-,16-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	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)	BDBM50117546 (2-Amino-4-[1-(carbamoylmethyl-carbamoyl)-3-methyl-...) Show SMILES CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(N)=O Show InChI InChI=1S/C13H24N4O5/c1-7(2)5-9(12(20)16-6-10(15)18)17-11(19)4-3-8(14)13(21)22/h7-9H,3-6,14H2,1-2H3,(H2,15,18)(H,16,20)(H,17,19)(H,21,22)/t8-,9-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UIA) Curated by ChEMBL					Assay Description Inhibitory activity against amidase free Glutathionylspermidine Synthetase mutant (C79A)				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)	BDBM50117542 (2-Amino-4-[1-(hydroxycarbamoylmethyl-carbamoyl)-3-...) Show SMILES CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(=O)NO Show InChI InChI=1S/C13H24N4O6/c1-7(2)5-9(12(20)15-6-11(19)17-23)16-10(18)4-3-8(14)13(21)22/h7-9,23H,3-6,14H2,1-2H3,(H,15,20)(H,16,18)(H,17,19)(H,21,22)/t8-,9-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UIA) Curated by ChEMBL					Assay Description Inhibitory activity against amidase free Glutathionylspermidine Synthetase mutant (C79A)				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
Glutathionylspermidine synthase (Crithidia fasciculata)	BDBM50117547 (2-Amino-4-[3-methyl-1-(phosphonomethyl-carbamoyl)-...) Show SMILES CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCP(O)(O)=O Show InChI InChI=1S/C12H24N3O7P/c1-7(2)5-9(11(17)14-6-23(20,21)22)15-10(16)4-3-8(13)12(18)19/h7-9H,3-6,13H2,1-2H3,(H,14,17)(H,15,16)(H,18,19)(H2,20,21,22)/t8-,9-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UIA) Curated by ChEMBL					Assay Description Concentration 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)	BDBM50117546 (2-Amino-4-[1-(carbamoylmethyl-carbamoyl)-3-methyl-...) Show SMILES CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(N)=O Show InChI InChI=1S/C13H24N4O5/c1-7(2)5-9(12(20)16-6-10(15)18)17-11(19)4-3-8(14)13(21)22/h7-9H,3-6,14H2,1-2H3,(H2,15,18)(H,16,20)(H,17,19)(H,21,22)/t8-,9-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UIA) Curated by ChEMBL					Assay Description Inhibitory constant against amidase free Glutathionylspermidine Synthetase mutant (C79A)				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)	BDBM50117545 (2-Amino-4-{3-methyl-1-[(1H-tetrazol-5-ylmethyl)-ca...) Show SMILES CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCc1nnn[nH]1 Show InChI InChI=1S/C13H23N7O4/c1-7(2)5-9(12(22)15-6-10-17-19-20-18-10)16-11(21)4-3-8(14)13(23)24/h7-9H,3-6,14H2,1-2H3,(H,15,22)(H,16,21)(H,23,24)(H,17,18,19,20)/t8-,9-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	1.38E+5	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