Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Transthyretin' and Ligand = 'BDBM128220'   

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
Transthyretin (Homo sapiens (Human))	BDBM128220 (4-(cyclopentylamino)-N-(1,5-dimethyl-3-oxidanylide...) Show SMILES Cc1c(NS(=O)(=O)c2ccc(NC3CCCC3)c(c2)[N+]([O-])=O)c(=O)n(-c2ccccc2)n1C Show InChI InChI=1S/C22H25N5O5S/c1-15-21(22(28)26(25(15)2)17-10-4-3-5-11-17)24-33(31,32)18-12-13-19(20(14-18)27(29)30)23-16-8-6-7-9-16/h3-5,10-14,16,23-24H,6-9H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>1.67E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2JD4VGV
					More data for this Ligand-Target Pair
Transthyretin (Homo sapiens (Human))	BDBM128220 (4-(cyclopentylamino)-N-(1,5-dimethyl-3-oxidanylide...) Show SMILES Cc1c(NS(=O)(=O)c2ccc(NC3CCCC3)c(c2)[N+]([O-])=O)c(=O)n(-c2ccccc2)n1C Show InChI InChI=1S/C22H25N5O5S/c1-15-21(22(28)26(25(15)2)17-10-4-3-5-11-17)24-33(31,32)18-12-13-19(20(14-18)27(29)30)23-16-8-6-7-9-16/h3-5,10-14,16,23-24H,6-9H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>1.67E+5	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2DN43RH
					More data for this Ligand-Target Pair