BDBM50109313 4-[5-(6-amino-9H-9-purinyl)-3,4-dihydroxy-(3S,4R)-tetrahydro-2-furanylmethylsulfanyl]-2-ammonio-(2S)-butanoate::CHEMBL142828

SMILES: Nc1ncnc2n(cnc12)C1OC(CSCC[C@H]([NH3+])C([O-])=O)[C@@H](O)[C@H]1O

InChI Key: InChIKey=ZJUKTBDSGOFHSH-MMFIKTFOSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50109313   

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 (Rattus norvegicus)	BDBM50109313 (4-[5-(6-amino-9H-9-purinyl)-3,4-dihydroxy-(3S,4R)-...) Show SMILES Nc1ncnc2n(cnc12)C1OC(CSCC[C@H]([NH3+])C([O-])=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7?,9+,10+,13?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	3.45E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition constant for the compound was determined against the recombinant rat liver AdoHyc hydrolase (MV1304/pUCSAH)				Bioorg Med Chem Lett 12: 457-60 (2002) BindingDB Entry DOI: 10.7270/Q2T1546N
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Rattus norvegicus)	BDBM50109313 (4-[5-(6-amino-9H-9-purinyl)-3,4-dihydroxy-(3S,4R)-...) Show SMILES Nc1ncnc2n(cnc12)C1OC(CSCC[C@H]([NH3+])C([O-])=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7?,9+,10+,13?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.09E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition constant for the compound was determined against the recombinant rat liver AdoHyc hydrolase (MV1304/pUCSAH)				Bioorg Med Chem Lett 12: 457-60 (2002) BindingDB Entry DOI: 10.7270/Q2T1546N
					More data for this Ligand-Target Pair