Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase YopH' and Ligand = 'BDBM33725'   

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)	BDBM33725 ((5Z)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyra...) Show SMILES CC(=O)N1C(=O)C(=C2SC(=S)N(C2=O)c2c(C)n(C)n(-c3ccccc3)c2=O)c2ccccc12 |w:6.30| Show InChI InChI=1S/C24H18N4O4S2/c1-13-19(22(31)28(25(13)3)15-9-5-4-6-10-15)27-23(32)20(34-24(27)33)18-16-11-7-8-12-17(16)26(14(2)29)21(18)30/h4-12H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2C24TVC
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase YopH (Yersinia enterocolitica)	BDBM33725 ((5Z)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyra...) Show SMILES CC(=O)N1C(=O)C(=C2SC(=S)N(C2=O)c2c(C)n(C)n(-c3ccccc3)c2=O)c2ccccc12 |w:6.30| Show InChI InChI=1S/C24H18N4O4S2/c1-13-19(22(31)28(25(13)3)15-9-5-4-6-10-15)27-23(32)20(34-24(27)33)18-16-11-7-8-12-17(16)26(14(2)29)21(18)30/h4-12H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2GT5KKS
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase YopH (Yersinia enterocolitica)	BDBM33725 ((5Z)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyra...) Show SMILES CC(=O)N1C(=O)C(=C2SC(=S)N(C2=O)c2c(C)n(C)n(-c3ccccc3)c2=O)c2ccccc12 |w:6.30| Show InChI InChI=1S/C24H18N4O4S2/c1-13-19(22(31)28(25(13)3)15-9-5-4-6-10-15)27-23(32)20(34-24(27)33)18-16-11-7-8-12-17(16)26(14(2)29)21(18)30/h4-12H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2794330
					More data for this Ligand-Target Pair