Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 5 entry = 50017090   

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
Tyrosine-protein phosphatase YopH (Yersinia enterocolitica)	BDBM50177318 (2-(4-(7-(4-tetradecylbenzoyl)cyclopenta[d][1,2]oxa...) Show SMILES CCCCCCCCCCCCCCc1ccc(cc1)C(=O)c1ccc2c(nocc12)-c1ccc(OCC(O)=O)cc1 Show InChI InChI=1S/C36H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-27-15-17-29(18-16-27)36(40)32-24-23-31-33(32)25-42-37-35(31)28-19-21-30(22-20-28)41-26-34(38)39/h15-25H,2-14,26H2,1H3,(H,38,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibitory activity against YOP protein tyrosine phosphatase				Bioorg Med Chem Lett 16: 499-502 (2005) Article DOI: 10.1016/j.bmcl.2005.10.062 BindingDB Entry DOI: 10.7270/Q2319VFG
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase YopH (Yersinia enterocolitica)	BDBM50177316 (2-(4-(7-(4-(aminomethyl)benzoyl)cyclopenta[d][1,2]...) Show SMILES NCc1ccc(cc1)C(=O)c1ccc2c(nocc12)-c1ccc(OCC(O)=O)cc1 Show InChI InChI=1S/C23H18N2O5/c24-11-14-1-3-16(4-2-14)23(28)19-10-9-18-20(19)12-30-25-22(18)15-5-7-17(8-6-15)29-13-21(26)27/h1-10,12H,11,13,24H2,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibitory activity against YOP protein tyrosine phosphatase				Bioorg Med Chem Lett 16: 499-502 (2005) Article DOI: 10.1016/j.bmcl.2005.10.062 BindingDB Entry DOI: 10.7270/Q2319VFG
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase YopH (Yersinia enterocolitica)	BDBM50177317 (2-(4-(7-(4-methoxybenzoyl)cyclopenta[d][1,2]oxazin...) Show SMILES COc1ccc(cc1)C(=O)c1ccc2c(nocc12)-c1ccc(OCC(O)=O)cc1 Show InChI InChI=1S/C23H17NO6/c1-28-16-6-4-15(5-7-16)23(27)19-11-10-18-20(19)12-30-24-22(18)14-2-8-17(9-3-14)29-13-21(25)26/h2-12H,13H2,1H3,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibitory activity against YOP protein tyrosine phosphatase				Bioorg Med Chem Lett 16: 499-502 (2005) Article DOI: 10.1016/j.bmcl.2005.10.062 BindingDB Entry DOI: 10.7270/Q2319VFG
					More data for this Ligand-Target Pair