BDBM50281293 2-amino-5-({[(2S,3S,4R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}(methyl)-sulfanyl)pentanenitrile dihydrobromide::CHEMBL3392185::CHEMBL540653

SMILES: Br.[Br-].C[S+](CCCC(N)C#N)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12

InChI Key: InChIKey=MSHZOBDXQWVFCO-XQTURGBQSA-O

Data: 1 KI  1 IC50

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 = 50281293   

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
S-adenosylmethionine decarboxylase 1 (Homo sapiens (Human))	BDBM50281293 (2-amino-5-({[(2S,3S,4R)-5-(6-amino-9H-purin-9-yl)-...) Show SMILES Br.[Br-].C[S+](CCCC(N)C#N)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C16H24N7O3S/c1-27(4-2-3-9(18)5-17)6-10-12(24)13(25)16(26-10)23-8-22-11-14(19)20-7-21-15(11)23/h7-10,12-13,16,24-25H,2-4,6,18H2,1H3,(H2,19,20,21)/q+1/p+1/t9?,10-,12-,13-,16?,27?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated to inactivate the human AdoMet-DC				Bioorg Med Chem Lett 3: 2811-2816 (1993) Article DOI: 10.1016/S0960-894X(01)80770-8 BindingDB Entry DOI: 10.7270/Q2TH8N6T
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase 1 (Homo sapiens (Human))	BDBM50281293 (2-amino-5-({[(2S,3S,4R)-5-(6-amino-9H-purin-9-yl)-...) Show SMILES Br.[Br-].C[S+](CCCC(N)C#N)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C16H24N7O3S/c1-27(4-2-3-9(18)5-17)6-10-12(24)13(25)16(26-10)23-8-22-11-14(19)20-7-21-15(11)23/h7-10,12-13,16,24-25H,2-4,6,18H2,1H3,(H2,19,20,21)/q+1/p+1/t9?,10-,12-,13-,16?,27?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated to inactivate the bacterial AdoMet-DC				Bioorg Med Chem Lett 3: 2811-2816 (1993) Article DOI: 10.1016/S0960-894X(01)80770-8 BindingDB Entry DOI: 10.7270/Q2TH8N6T
					More data for this Ligand-Target Pair