Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50035761   

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))	BDBM50023880 (9-(3-Methyl-but-2-enyl)-9H-purin-6-ylamine | CHEMB...) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-n1cnc2c(-[#7])ncnc12 Show InChI InChI=1S/C10H13N5/c1-7(2)3-4-15-6-14-8-9(11)12-5-13-10(8)15/h3,5-6H,4H2,1-2H3,(H2,11,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Evaluated for the 50% inhibition of bovine-liver S-Adenosyl-homocysteine (AdoHcy) hydrolase				J Med Chem 31: 1729-38 (1988) BindingDB Entry DOI: 10.7270/Q2HM5920
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50023888 (5-(6-Amino-purin-9-yl)-pent-3-ene-1,2-diol | CHEMB...) Show SMILES Nc1ncnc2n(C\C=C\C(O)CO)cnc12 Show InChI InChI=1S/C10H13N5O2/c11-9-8-10(13-5-12-9)15(6-14-8)3-1-2-7(17)4-16/h1-2,5-7,16-17H,3-4H2,(H2,11,12,13)/b2-1+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Evaluated for the 50% inhibition of bovine-liver S-Adenosyl-homocysteine (AdoHcy) hydrolase				J Med Chem 31: 1729-38 (1988) BindingDB Entry DOI: 10.7270/Q2HM5920
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50011163 (4-(6-Amino-purin-9-yl)-but-2-yn-1-ol | CHEMBL46348) Show SMILES Nc1ncnc2n(CC#CCO)cnc12 Show InChI InChI=1S/C9H9N5O/c10-8-7-9(12-5-11-8)14(6-13-7)3-1-2-4-15/h5-6,15H,3-4H2,(H2,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Evaluated for the 50% inhibition of bovine-liver S-Adenosyl-homocysteine (AdoHcy) hydrolase				J Med Chem 31: 1729-38 (1988) BindingDB Entry DOI: 10.7270/Q2HM5920
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50023883 (4-(4-Amino-imidazo[4,5-c]pyridin-1-yl)-but-2-en-1-...) Show SMILES Nc1nccc2n(C\C=C\CO)cnc12 Show InChI InChI=1S/C10H12N4O/c11-10-9-8(3-4-12-10)14(7-13-9)5-1-2-6-15/h1-4,7,15H,5-6H2,(H2,11,12)/b2-1+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Evaluated for the 50% inhibition of bovine-liver S-Adenosyl-homocysteine (AdoHcy) hydrolase				J Med Chem 31: 1729-38 (1988) BindingDB Entry DOI: 10.7270/Q2HM5920
					More data for this Ligand-Target Pair