Compile Data Set for Download or QSAR

Found 5 hits with Last Name = 'virgilio' and Initial = 'a'   

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
Exopolyphosphatase PRUNE1 (Homo sapiens (Human))	BDBM50391180 (CHEMBL348601) Show SMILES COc1ccc(CNc2nc(nc3c(NCc4ccc(OC)cc4)nc(nc23)N(CCO)CCO)N(CCO)CCO)cc1 Show InChI InChI=1S/C30H40N8O6/c1-43-23-7-3-21(4-8-23)19-31-27-25-26(34-29(35-27)37(11-15-39)12-16-40)28(32-20-22-5-9-24(44-2)10-6-22)36-30(33-25)38(13-17-41)14-18-42/h3-10,39-42H,11-20H2,1-2H3,(H,31,34,35)(H,32,33,36)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of purified human prune assessed as reduction of cAMP-phosphodiesterase activity by SPA				Eur J Med Chem 57: 41-50 (2012) Article DOI: 10.1016/j.ejmech.2012.08.020 BindingDB Entry DOI: 10.7270/Q2W66MW4
					More data for this Ligand-Target Pair
Exopolyphosphatase PRUNE1 (Homo sapiens (Human))	BDBM23620 (2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(piperidin...) Show SMILES OCCN(CCO)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCO)CCO Show InChI InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of human prune assessed as reduction of cAMP-phosphodiesterase activity				Eur J Med Chem 57: 41-50 (2012) Article DOI: 10.1016/j.ejmech.2012.08.020 BindingDB Entry DOI: 10.7270/Q2W66MW4
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50450677 (CHEMBL72017) Show SMILES OC(=O)CCN1CCS[C@H](CC(O)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C1=O Show InChI InChI=1S/C18H22N2O7S/c21-12-3-1-11(2-4-12)9-13-18(27)20(6-5-15(22)23)7-8-28-14(10-16(24)25)17(26)19-13/h1-4,13-14,21H,5-10H2,(H,19,26)(H,22,23)(H,24,25)/t13-,14+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of alpha4-beta1 integrin connecting segment 1 (CS1) splice variant binding interaction				Bioorg Med Chem Lett 8: 2297-302 (1999) BindingDB Entry DOI: 10.7270/Q279466K
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50450678 (CHEMBL73899) Show SMILES OC(=O)CCN1CCS[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C1=O Show InChI InChI=1S/C18H22N2O7S/c21-12-3-1-11(2-4-12)9-13-18(27)20(6-5-15(22)23)7-8-28-14(10-16(24)25)17(26)19-13/h1-4,13-14,21H,5-10H2,(H,19,26)(H,22,23)(H,24,25)/t13-,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of alpha4-beta1 integrin connecting segment 1 (CS1) splice variant binding interaction				Bioorg Med Chem Lett 8: 2297-302 (1999) BindingDB Entry DOI: 10.7270/Q279466K
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50450676 (CHEMBL75405) Show SMILES CCCCN1CCS[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C1=O Show InChI InChI=1S/C19H26N2O4S/c1-2-3-9-21-10-11-26-16(13-17(22)23)18(24)20-15(19(21)25)12-14-7-5-4-6-8-14/h4-8,15-16H,2-3,9-13H2,1H3,(H,20,24)(H,22,23)/t15-,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of alpha4-beta1 integrin connecting segment 1 (CS1) splice variant binding interaction				Bioorg Med Chem Lett 8: 2297-302 (1999) BindingDB Entry DOI: 10.7270/Q279466K
					More data for this Ligand-Target Pair