Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosylhomocysteinase' and Ligand = 'BDBM50050866'   

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
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50050866 (CHEMBL3322558) Show SMILES CN(C1Cc2ccccc2C1)C(=O)CN(CC(=O)NC1CCNC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1 Show InChI InChI=1S/C30H32Cl2N4O3/c1-35(25-14-20-4-2-3-5-21(20)15-25)30(38)19-36(18-29(37)34-24-12-13-33-17-24)27-16-23(32)8-11-28(27)39-26-9-6-22(31)7-10-26/h2-11,16,24-25,33H,12-15,17-19H2,1H3,(H,34,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant S-adenosyl-L-homocysteine hydrolase assessed as AdoHcy hydrolysis activity by HPLC analysis				Bioorg Med Chem Lett 24: 4336-40 (2014) Article DOI: 10.1016/j.bmcl.2014.06.008 BindingDB Entry DOI: 10.7270/Q2377BCP
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