Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'S-methyl-5'-thioinosine phosphorylase' and Ligand = 'BDBM218674'   

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)	BDBM218674 (US9290501, MT-ImmH) Show SMILES CSC[C@H]1NC(Cc2c[nH]c3c2nc[nH]c3=O)C(O)C1O |r| Show InChI InChI=1S/C13H16N4O3S/c1-21-4-8-12(19)11(18)7(17-8)2-6-3-14-10-9(6)15-5-16-13(10)20/h3,5,7-8,11-12,17-19H,2,4H2,1H3/t7?,8-,11?,12?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0760	-57.8	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
S-methyl-5'-thioinosine phosphorylase (Pseudomonas aeruginosa)	BDBM218674 (US9290501, MT-ImmH) Show SMILES CSC[C@H]1NC(Cc2c[nH]c3c2nc[nH]c3=O)C(O)C1O |r| Show InChI InChI=1S/C13H16N4O3S/c1-21-4-8-12(19)11(18)7(17-8)2-6-3-14-10-9(6)15-5-16-13(10)20/h3,5,7-8,11-12,17-19H,2,4H2,1H3/t7?,8-,11?,12?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.840	-51.8	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