Compile Data Set for Download or QSAR

Found 19 hits with Last Name = 'ravaschino' and Initial = 'e'   

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
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM25298 ((1-hydroxy-1-phosphonoheptyl)phosphonic acid | CHE...) Show SMILES CCCCCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C7H18O7P2/c1-2-3-4-5-6-7(8,15(9,10)11)16(12,13)14/h8H,2-6H2,1H3,(H2,9,10,11)(H2,12,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Buenos Aires Curated by ChEMBL					Assay Description Inhibition of trypanosoma cruzi farnesyl pyrophosphate synthase (TcFPPS)				Bioorg Med Chem Lett 15: 4685-90 (2005) Article DOI: 10.1016/j.bmcl.2005.07.060 BindingDB Entry DOI: 10.7270/Q21Z43ZW
					More data for this Ligand-Target Pair				3D Structure (docked)
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
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50173056 ((1-Amino-1-phosphono-hexyl)-phosphonic acid | CHEM...) Show SMILES CCCCCC(N)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C6H17NO6P2/c1-2-3-4-5-6(7,14(8,9)10)15(11,12)13/h2-5,7H2,1H3,(H2,8,9,10)(H2,11,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	382	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Buenos Aires Curated by ChEMBL					Assay Description Inhibitory concentration against trypanosoma cruzi farnesyl pyrophosphate synthase (TcFPPS)				Bioorg Med Chem Lett 15: 4685-90 (2005) Article DOI: 10.1016/j.bmcl.2005.07.060 BindingDB Entry DOI: 10.7270/Q21Z43ZW
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM25298 ((1-hydroxy-1-phosphonoheptyl)phosphonic acid | CHE...) Show SMILES CCCCCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C7H18O7P2/c1-2-3-4-5-6-7(8,15(9,10)11)16(12,13)14/h8H,2-6H2,1H3,(H2,9,10,11)(H2,12,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Buenos Aires Curated by ChEMBL					Assay Description Inhibitory concentration against trypanosoma cruzi farnesyl pyrophosphate synthase (TcFPPS)				Bioorg Med Chem Lett 15: 4685-90 (2005) Article DOI: 10.1016/j.bmcl.2005.07.060 BindingDB Entry DOI: 10.7270/Q21Z43ZW
					More data for this Ligand-Target Pair				3D Structure (docked)
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
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50173058 ((1-Amino-1-phosphono-heptyl)-phosphonic acid | CHE...) Show SMILES CCCCCCC(N)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C7H19NO6P2/c1-2-3-4-5-6-7(8,15(9,10)11)16(12,13)14/h2-6,8H2,1H3,(H2,9,10,11)(H2,12,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Buenos Aires Curated by ChEMBL					Assay Description Inhibitory concentration against trypanosoma cruzi farnesyl pyrophosphate synthase (TcFPPS)				Bioorg Med Chem Lett 15: 4685-90 (2005) Article DOI: 10.1016/j.bmcl.2005.07.060 BindingDB Entry DOI: 10.7270/Q21Z43ZW
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50173055 ((1-Amino-1-phosphono-pentyl)-phosphonic acid | CHE...) Show SMILES CCCCC(N)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C5H15NO6P2/c1-2-3-4-5(6,13(7,8)9)14(10,11)12/h2-4,6H2,1H3,(H2,7,8,9)(H2,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Buenos Aires Curated by ChEMBL					Assay Description Inhibitory concentration against trypanosoma cruzi farnesyl pyrophosphate synthase (TcFPPS)				Bioorg Med Chem Lett 15: 4685-90 (2005) Article DOI: 10.1016/j.bmcl.2005.07.060 BindingDB Entry DOI: 10.7270/Q21Z43ZW
					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
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50173053 ((1-Amino-1-phosphono-butyl)-phosphonic acid | CHEM...) Show SMILES CCCC(N)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C4H13NO6P2/c1-2-3-4(5,12(6,7)8)13(9,10)11/h2-3,5H2,1H3,(H2,6,7,8)(H2,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Buenos Aires Curated by ChEMBL					Assay Description Inhibitory concentration against trypanosoma cruzi farnesyl pyrophosphate synthase (TcFPPS)				Bioorg Med Chem Lett 15: 4685-90 (2005) Article DOI: 10.1016/j.bmcl.2005.07.060 BindingDB Entry DOI: 10.7270/Q21Z43ZW
					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
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50173054 ((1-Amino-1-phosphono-ethyl)-phosphonic acid | CHEM...) Show SMILES CC(N)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C2H9NO6P2/c1-2(3,10(4,5)6)11(7,8)9/h3H2,1H3,(H2,4,5,6)(H2,7,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	6.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Buenos Aires Curated by ChEMBL					Assay Description Inhibitory concentration against trypanosoma cruzi farnesyl pyrophosphate synthase (TcFPPS)				Bioorg Med Chem Lett 15: 4685-90 (2005) Article DOI: 10.1016/j.bmcl.2005.07.060 BindingDB Entry DOI: 10.7270/Q21Z43ZW
					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
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50173057 ((1-Amino-1-phosphono-propyl)-phosphonic acid | CHE...) Show SMILES CCC(N)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C3H11NO6P2/c1-2-3(4,11(5,6)7)12(8,9)10/h2,4H2,1H3,(H2,5,6,7)(H2,8,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Buenos Aires Curated by ChEMBL					Assay Description Inhibitory concentration against trypanosoma cruzi farnesyl pyrophosphate synthase (TcFPPS)				Bioorg Med Chem Lett 15: 4685-90 (2005) Article DOI: 10.1016/j.bmcl.2005.07.060 BindingDB Entry DOI: 10.7270/Q21Z43ZW
					More data for this Ligand-Target Pair