Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 22112   

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
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli (strain K12))	BDBM22112 (7-({3-[(methylsulfanyl)methyl]azetidin-1-yl}methyl...) Show SMILES CSCC1CN(Cc2c[nH]c3c(N)ncnc23)C1 Show InChI InChI=1S/C12H17N5S/c1-18-6-8-3-17(4-8)5-9-2-14-11-10(9)15-7-16-12(11)13/h2,7-8,14H,3-6H2,1H3,(H2,13,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.450	-52.8	n/a	n/a	n/a	n/a	n/a	7.0	22
Industrial Research Limited					Assay Description Enzyme activity was monitored by absorbance change in the xanthine oxidase coupled assay, which measures the formation of 2,8-dihydroxyadenine at 293...				J Med Chem 51: 948-56 (2008) Article DOI: 10.1021/jm701265n BindingDB Entry DOI: 10.7270/Q2QC01T3
					More data for this Ligand-Target Pair				3D Structure (docked)
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM22112 (7-({3-[(methylsulfanyl)methyl]azetidin-1-yl}methyl...) Show SMILES CSCC1CN(Cc2c[nH]c3c(N)ncnc23)C1 Show InChI InChI=1S/C12H17N5S/c1-18-6-8-3-17(4-8)5-9-2-14-11-10(9)15-7-16-12(11)13/h2,7-8,14H,3-6H2,1H3,(H2,13,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2	-49.2	n/a	n/a	n/a	n/a	n/a	7.0	22
Industrial Research Limited					Assay Description Enzyme activity was monitored by absorbance change in the xanthine oxidase coupled assay, which measures the formation of 2,8-dihydroxyadenine at 293...				J Med Chem 51: 948-56 (2008) Article DOI: 10.1021/jm701265n BindingDB Entry DOI: 10.7270/Q2QC01T3
					More data for this Ligand-Target Pair
Adenosylhomocysteine nucleosidase (Streptococcus pneumoniae)	BDBM22112 (7-({3-[(methylsulfanyl)methyl]azetidin-1-yl}methyl...) Show SMILES CSCC1CN(Cc2c[nH]c3c(N)ncnc23)C1 Show InChI InChI=1S/C12H17N5S/c1-18-6-8-3-17(4-8)5-9-2-14-11-10(9)15-7-16-12(11)13/h2,7-8,14H,3-6H2,1H3,(H2,13,15,16)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	84	-40.0	n/a	n/a	n/a	n/a	n/a	7.0	22
Industrial Research Limited					Assay Description Enzyme activity was monitored by absorbance change in the xanthine oxidase coupled assay, which measures the formation of 2,8-dihydroxyadenine at 293...				J Med Chem 51: 948-56 (2008) Article DOI: 10.1021/jm701265n BindingDB Entry DOI: 10.7270/Q2QC01T3
					More data for this Ligand-Target Pair