Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 277.2 BDBM50373100

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

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 (Plasmodium falciparum 3D7)	BDBM50373100 (CHEMBL262063) Show SMILES Nc1ncnc2n(cnc12)[C@H]1[C@H](O)[C@H](O)[C@@H](CO)C1=C Show InChI InChI=1S/C12H15N5O3/c1-5-6(2-18)9(19)10(20)8(5)17-4-16-7-11(13)14-3-15-12(7)17/h3-4,6,8-10,18-20H,1-2H2,(H2,13,14,15)/t6-,8+,9+,10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum SAHH				Bioorg Med Chem 16: 3809-15 (2008) Article DOI: 10.1016/j.bmc.2008.01.046 BindingDB Entry DOI: 10.7270/Q2RJ4KB0
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50373100 (CHEMBL262063) Show SMILES Nc1ncnc2n(cnc12)[C@H]1[C@H](O)[C@H](O)[C@@H](CO)C1=C Show InChI InChI=1S/C12H15N5O3/c1-5-6(2-18)9(19)10(20)8(5)17-4-16-7-11(13)14-3-15-12(7)17/h3-4,6,8-10,18-20H,1-2H2,(H2,13,14,15)/t6-,8+,9+,10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibition of human SAHH				Bioorg Med Chem 16: 3809-15 (2008) Article DOI: 10.1016/j.bmc.2008.01.046 BindingDB Entry DOI: 10.7270/Q2RJ4KB0
					More data for this Ligand-Target Pair