BDBM50096960 CHEMBL3580899

SMILES: Nc1ncnc2n(ccc12)[C@@H]1C=C(CCO)[C@@H](O)[C@H]1O

InChI Key: InChIKey=GPFUAJAVHZVMCR-MXWKQRLJSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50096960   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50096960 (CHEMBL3580899) Show SMILES Nc1ncnc2n(ccc12)[C@@H]1C=C(CCO)[C@@H](O)[C@H]1O |r,t:13| Show InChI InChI=1S/C13H16N4O3/c14-12-8-1-3-17(13(8)16-6-15-12)9-5-7(2-4-18)10(19)11(9)20/h1,3,5-6,9-11,18-20H,2,4H2,(H2,14,15,16)/t9-,10-,11+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of recombinant human placental AdoHcy hydrolase expressed in Escherichia coli BL21 using AdoHcy as substrate preincubated for 10 mins foll...				J Med Chem 58: 5108-20 (2015) Article DOI: 10.1021/acs.jmedchem.5b00553 BindingDB Entry DOI: 10.7270/Q2T155DR
					More data for this Ligand-Target Pair