Compile Data Set for Download or QSAR

Found 8 hits with Last Name = 'robaldo' and Initial = 'b'   

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
Squalene--hopene cyclase (Alicyclobacillus acidocaldarius)	BDBM50143434 (7-((E)-5-{3-[2-(3,3-Dimethyl-oxiranyl)-ethyl]-3-me...) Show SMILES C\C(CCC1OC1(C)CCC1OC1(C)C)=C/COc1ccc2ccc(=O)oc2c1 Show InChI InChI=1S/C24H30O5/c1-16(5-9-21-24(4,29-21)13-11-20-23(2,3)28-20)12-14-26-18-8-6-17-7-10-22(25)27-19(17)15-18/h6-8,10,12,15,20-21H,5,9,11,13-14H2,1-4H3/b16-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Torino Curated by ChEMBL					Assay Description Inhibitory activity of the compound against squalene hopene cyclase from Alicyclobacillus acidocaldarius expressed in Escherichia coli				Bioorg Med Chem Lett 14: 1931-4 (2004) Article DOI: 10.1016/j.bmcl.2004.01.085 BindingDB Entry DOI: 10.7270/Q2CZ36KX
					More data for this Ligand-Target Pair
Squalene--hopene cyclase (Alicyclobacillus acidocaldarius)	BDBM50143437 (7-[(2E,6E)-9-(3,3-Dimethyl-oxiranyl)-3,7-dimethyl-...) Show SMILES C\C(CC\C=C(/C)CCC1OC1(C)C)=C/COc1ccc2ccc(=O)oc2c1 Show InChI InChI=1S/C24H30O4/c1-17(8-12-22-24(3,4)28-22)6-5-7-18(2)14-15-26-20-11-9-19-10-13-23(25)27-21(19)16-20/h6,9-11,13-14,16,22H,5,7-8,12,15H2,1-4H3/b17-6+,18-14+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Torino Curated by ChEMBL					Assay Description Inhibitory activity of the compound against squalene hopene cyclase from Alicyclobacillus acidocaldarius expressed in Escherichia coli				Bioorg Med Chem Lett 14: 1931-4 (2004) Article DOI: 10.1016/j.bmcl.2004.01.085 BindingDB Entry DOI: 10.7270/Q2CZ36KX
					More data for this Ligand-Target Pair
Squalene--hopene cyclase (Alicyclobacillus acidocaldarius)	BDBM50143432 (7-[(E)-3-Methyl-5-((1R,2R)-1,3,3-trimethyl-7-oxa-b...) Show SMILES C\C(CC[C@H]1[C@@]2(C)CC[C@@H](O2)C1(C)C)=C/COc1ccc2ccc(=O)oc2c1 Show InChI InChI=1S/C24H30O4/c1-16(5-9-20-23(2,3)21-11-13-24(20,4)28-21)12-14-26-18-8-6-17-7-10-22(25)27-19(17)15-18/h6-8,10,12,15,20-21H,5,9,11,13-14H2,1-4H3/b16-12+/t20-,21-,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Torino Curated by ChEMBL					Assay Description Inhibitory activity of the compound against squalene hopene cyclase from Alicyclobacillus acidocaldarius expressed in Escherichia coli				Bioorg Med Chem Lett 14: 1931-4 (2004) Article DOI: 10.1016/j.bmcl.2004.01.085 BindingDB Entry DOI: 10.7270/Q2CZ36KX
					More data for this Ligand-Target Pair
Squalene--hopene cyclase (Alicyclobacillus acidocaldarius)	BDBM50143430 (7-((2E,6E)-10,11-Dihydroxy-3,7,11-trimethyl-dodeca...) Show SMILES C\C(CC\C=C(/C)CCC(O)C(C)(C)O)=C/COc1ccc2ccc(=O)oc2c1 Show InChI InChI=1S/C24H32O5/c1-17(8-12-22(25)24(3,4)27)6-5-7-18(2)14-15-28-20-11-9-19-10-13-23(26)29-21(19)16-20/h6,9-11,13-14,16,22,25,27H,5,7-8,12,15H2,1-4H3/b17-6+,18-14+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università di Torino Curated by ChEMBL					Assay Description Inhibitory activity of the compound against squalene hopene cyclase from Alicyclobacillus acidocaldarius expressed in Escherichia coli				Bioorg Med Chem Lett 14: 1931-4 (2004) Article DOI: 10.1016/j.bmcl.2004.01.085 BindingDB Entry DOI: 10.7270/Q2CZ36KX
					More data for this Ligand-Target Pair
Squalene--hopene cyclase (Alicyclobacillus acidocaldarius)	BDBM50143431 (7-[(2E,6E)-9-(3,3-Dimethyl-oxiranyl)-3,7-dimethyl-...) Show SMILES C\C(CC\C=C(/C)CCC1OC1(C)C)=C/COc1cc2oc(=O)ccc2cc1O Show InChI InChI=1S/C24H30O5/c1-16(8-10-22-24(3,4)29-22)6-5-7-17(2)12-13-27-21-15-20-18(14-19(21)25)9-11-23(26)28-20/h6,9,11-12,14-15,22,25H,5,7-8,10,13H2,1-4H3/b16-6+,17-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università di Torino Curated by ChEMBL					Assay Description Inhibitory activity of the compound against squalene hopene cyclase from Alicyclobacillus acidocaldarius expressed in Escherichia coli				Bioorg Med Chem Lett 14: 1931-4 (2004) Article DOI: 10.1016/j.bmcl.2004.01.085 BindingDB Entry DOI: 10.7270/Q2CZ36KX
					More data for this Ligand-Target Pair
Squalene--hopene cyclase (Alicyclobacillus acidocaldarius)	BDBM50143435 (7-((2E,6E)-3,7,11-Trimethyl-dodeca-2,6,10-trienylo...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc2ccc(=O)oc2c1 Show InChI InChI=1S/C24H30O3/c1-18(2)7-5-8-19(3)9-6-10-20(4)15-16-26-22-13-11-21-12-14-24(25)27-23(21)17-22/h7,9,11-15,17H,5-6,8,10,16H2,1-4H3/b19-9+,20-15+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università di Torino Curated by ChEMBL					Assay Description Inhibitory activity of the compound against squalene hopene cyclase from Alicyclobacillus acidocaldarius expressed in Escherichia coli				Bioorg Med Chem Lett 14: 1931-4 (2004) Article DOI: 10.1016/j.bmcl.2004.01.085 BindingDB Entry DOI: 10.7270/Q2CZ36KX
					More data for this Ligand-Target Pair
Squalene--hopene cyclase (Alicyclobacillus acidocaldarius)	BDBM50143436 (4-Hydroxy-3-((2E,6E)-3,7,11-trimethyl-dodeca-2,6,1...) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c2ccccc2oc1=O Show InChI InChI=1S/C24H30O3/c1-17(2)9-7-10-18(3)11-8-12-19(4)15-16-21-23(25)20-13-5-6-14-22(20)27-24(21)26/h5-6,9,11,13-15,25H,7-8,10,12,16H2,1-4H3/b18-11+,19-15+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università di Torino Curated by ChEMBL					Assay Description Inhibitory activity of the compound against squalene hopene cyclase from Alicyclobacillus acidocaldarius expressed in Escherichia coli				Bioorg Med Chem Lett 14: 1931-4 (2004) Article DOI: 10.1016/j.bmcl.2004.01.085 BindingDB Entry DOI: 10.7270/Q2CZ36KX
					More data for this Ligand-Target Pair
Squalene--hopene cyclase (Alicyclobacillus acidocaldarius)	BDBM50143433 (Acetic acid 4-acetoxy-3-[(2E,6E)-9-(3,3-dimethyl-o...) Show SMILES CC(=O)Oc1ccc2c(OC(C)=O)c(C\C=C(/C)CC\C=C(/C)CCC3OC3(C)C)c(=O)oc2c1 Show InChI InChI=1S/C28H34O7/c1-17(8-7-9-18(2)11-15-25-28(5,6)35-25)10-13-23-26(33-20(4)30)22-14-12-21(32-19(3)29)16-24(22)34-27(23)31/h9-10,12,14,16,25H,7-8,11,13,15H2,1-6H3/b17-10+,18-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Università di Torino Curated by ChEMBL					Assay Description Inhibitory activity of the compound against squalene hopene cyclase from Alicyclobacillus acidocaldarius expressed in Escherichia coli				Bioorg Med Chem Lett 14: 1931-4 (2004) Article DOI: 10.1016/j.bmcl.2004.01.085 BindingDB Entry DOI: 10.7270/Q2CZ36KX
					More data for this Ligand-Target Pair