Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'S-methyl-5'-thioinosine phosphorylase' and Ligand = 'BDBM218673'   

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
S-methyl-5'-thioinosine phosphorylase (Pseudomonas aeruginosa)	BDBM218673 (US9290501, PrT-DADMe-ImmH) Show SMILES CCCSC[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)CC1O |r| Show InChI InChI=1S/C15H20N4O2S/c1-2-3-22-8-11-6-19(7-12(11)20)5-10-4-16-14-13(10)17-9-18-15(14)21/h4,9,11-12,20H,2-3,5-8H2,1H3/t11-,12?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0720	-57.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Albert Einstein College of Medicine, Inc.; Victoria Link Limited US Patent					Assay Description Assays for slow-onset inhibitors were carried out by adding 1 nM PaMTIP into reaction mixtures at 25 °C. containing 100 mM Hepes, pH 7.4, 100 mM ...				US Patent US9290501 (2016) BindingDB Entry DOI: 10.7270/Q2639NKD
					More data for this Ligand-Target Pair
S-methyl-5'-thioinosine phosphorylase (Pseudomonas aeruginosa)	BDBM218673 (US9290501, PrT-DADMe-ImmH) Show SMILES CCCSC[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)CC1O |r| Show InChI InChI=1S/C15H20N4O2S/c1-2-3-22-8-11-6-19(7-12(11)20)5-10-4-16-14-13(10)17-9-18-15(14)21/h4,9,11-12,20H,2-3,5-8H2,1H3/t11-,12?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.380	-53.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Albert Einstein College of Medicine, Inc.; Victoria Link Limited US Patent					Assay Description Assays for slow-onset inhibitors were carried out by adding 1 nM PaMTIP into reaction mixtures at 25 °C. containing 100 mM Hepes, pH 7.4, 100 mM ...				US Patent US9290501 (2016) BindingDB Entry DOI: 10.7270/Q2639NKD
					More data for this Ligand-Target Pair