BDBM85447 Epoxy analogue, I(a)

SMILES: N[C@@H](C[C@H]1CO1)C(O)=O

InChI Key: InChIKey=HKPCHCJYQVJLIZ-IMJSIDKUSA-N

Data: 1 KI  1 IC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 85447   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
S-Adenosylmethionine Synthase (AdoMet) (Rattus norvegicus)	BDBM85447 (Epoxy analogue, I(a)) Show SMILES N[C@@H](C[C@H]1CO1)C(O)=O Show InChI InChI=1S/C5H9NO3/c6-4(5(7)8)1-3-2-9-3/h3-4H,1-2,6H2,(H,7,8)/t3-,4-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	7.00E+3	-7.31	5.00E+4	n/a	n/a	n/a	n/a	7.5	37
Laboratoire de chimie bioorganique					Assay Description AdoMet synthetase activity was measured by a radioactive assay using (14C-methyl)-L-methionine as described by Sullivan and Hoffman with minor modifi...				J Enzym Inhib 13: 361-7 (1998) Article DOI: 10.3109/14756369809021481 BindingDB Entry DOI: 10.7270/Q2668BQ4
					More data for this Ligand-Target Pair				3D Structure (crystal)