Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Trans-sialidase' and Ligand = 'BDBM84698'   

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
Trans-sialidase (Trypanosoma cruzi)	BDBM84698 (Quinolinone derivative, 9) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C(\C(=C/c2ccc(O)c(O)c2)C(=O)c2ccccc12)c1ccc(O)c(O)c1 Show InChI InChI=1S/C29H23NO7S/c1-17-6-10-20(11-7-17)38(36,37)30-23-5-3-2-4-21(23)29(35)22(14-18-8-12-24(31)26(33)15-18)28(30)19-9-13-25(32)27(34)16-19/h2-16,28,31-34H,1H3/b22-14+	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	400	-37.7	600	n/a	n/a	n/a	n/a	7.6	35
University of British Columbia					Assay Description Inhibition assay using trans-sialidase, a membrane-associated protein.				Chembiochem 10: 2475-9 (2009) Article DOI: 10.1002/cbic.200900108 BindingDB Entry DOI: 10.7270/Q2MG7N10
					More data for this Ligand-Target Pair
Trans-sialidase (Trypanosoma cruzi)	BDBM84698 (Quinolinone derivative, 9) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C(\C(=C/c2ccc(O)c(O)c2)C(=O)c2ccccc12)c1ccc(O)c(O)c1 Show InChI InChI=1S/C29H23NO7S/c1-17-6-10-20(11-7-17)38(36,37)30-23-5-3-2-4-21(23)29(35)22(14-18-8-12-24(31)26(33)15-18)28(30)19-9-13-25(32)27(34)16-19/h2-16,28,31-34H,1H3/b22-14+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Sao Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trans-sialidase using Trifluoromethylumbelliferyl alpha-sialoside as substrate by UV/visible spectrophotometer				Bioorg Med Chem 25: 6049-6059 (2017) Article DOI: 10.1016/j.bmc.2017.09.042 BindingDB Entry DOI: 10.7270/Q21Z4700
					More data for this Ligand-Target Pair