Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50003884   

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
Sortase family protein (Staphylococcus aureus)	BDBM50476977 (Isoaaptamine) Show SMILES COc1cc2ccnc3ccn(C)c(c1O)c23 Show InChI InChI=1S/C13H12N2O2/c1-15-6-4-9-11-8(3-5-14-9)7-10(17-2)13(16)12(11)15/h3-7,16H,1-2H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.62E+4	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of SrtA				Bioorg Med Chem Lett 17: 5366-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.007 BindingDB Entry DOI: 10.7270/Q29S1TSZ
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50203126 (3,4-dimethoxy-6,7-dihydro-[1,3]dioxolo[4,5-g]pyrid...) Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC Show InChI InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of SrtA				Bioorg Med Chem Lett 17: 5366-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.007 BindingDB Entry DOI: 10.7270/Q29S1TSZ
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50476978 (Demethylaaptamine) Show SMILES Oc1cc2ccnc3cc[nH]c(c1O)c23 Show InChI InChI=1S/C11H8N2O2/c14-8-5-6-1-3-12-7-2-4-13-10(9(6)7)11(8)15/h1-5,13-15H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of SrtA				Bioorg Med Chem Lett 17: 5366-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.007 BindingDB Entry DOI: 10.7270/Q29S1TSZ
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50476979 (DEMETHYLOXY-AAPTAMINE | Demethyloxyaaptamine | Dem...) Show SMILES COC1=Cc2ccnc3ccnc(C1=O)c23 |t:2| Show InChI InChI=1S/C12H8N2O2/c1-16-9-6-7-2-4-13-8-3-5-14-11(10(7)8)12(9)15/h2-6H,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of SrtA				Bioorg Med Chem Lett 17: 5366-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.007 BindingDB Entry DOI: 10.7270/Q29S1TSZ
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50356012 (AAPTAMINE) Show SMILES COc1cc2ccnc3cc[nH]c(c1OC)c23 Show InChI InChI=1S/C13H12N2O2/c1-16-10-7-8-3-5-14-9-4-6-15-12(11(8)9)13(10)17-2/h3-7,15H,1-2H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of SrtA				Bioorg Med Chem Lett 17: 5366-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.007 BindingDB Entry DOI: 10.7270/Q29S1TSZ
					More data for this Ligand-Target Pair