Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'S-methyl-5'-thioadenosine phosphorylase' and Ligand = 'BDBM50510223'   

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'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM50510223 (CHEMBL4444249) Show SMILES Nc1ncnc2c(CN3C[C@H](O)[C@@H](CSCc4cn(Cc5ccccc5)nn4)C3)c[nH]c12 |r| Show InChI InChI=1S/C22H26N8OS/c23-22-21-20(25-14-26-22)16(6-24-21)8-29-9-17(19(31)11-29)12-32-13-18-10-30(28-27-18)7-15-4-2-1-3-5-15/h1-6,10,14,17,19,24,31H,7-9,11-13H2,(H2,23,25,26)/t17-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a
Albert Einstein College of Medicine Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal TEV cleavage site-fused-His6-tagged MTAP expressed in Escherichia coli BL21-CodonPlus(DE3)-RIPL comp...				J Med Chem 62: 3286-3296 (2019) Article DOI: 10.1021/acs.jmedchem.8b01642 BindingDB Entry DOI: 10.7270/Q2JM2DXM
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