Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'S-methyl-5'-thioinosine phosphorylase' and Ligand = 'BDBM218675'   

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)	BDBM218675 (US9290501, PT-ImmH) Show SMILES OC1[C@@H](CSc2ccccc2)NC(Cc2c[nH]c3c2nc[nH]c3=O)C1O |r| Show InChI InChI=1S/C18H18N4O3S/c23-16-12(6-10-7-19-15-14(10)20-9-21-18(15)25)22-13(17(16)24)8-26-11-4-2-1-3-5-11/h1-5,7,9,12-13,16-17,22-24H,6,8H2/t12?,13-,16?,17?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0350	-59.7	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)	BDBM218675 (US9290501, PT-ImmH) Show SMILES OC1[C@@H](CSc2ccccc2)NC(Cc2c[nH]c3c2nc[nH]c3=O)C1O |r| Show InChI InChI=1S/C18H18N4O3S/c23-16-12(6-10-7-19-15-14(10)20-9-21-18(15)25)22-13(17(16)24)8-26-11-4-2-1-3-5-11/h1-5,7,9,12-13,16-17,22-24H,6,8H2/t12?,13-,16?,17?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.660	-52.4	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