Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'S-adenosylmethionine synthase isoform type-2' and Ligand = 'BDBM50367305'   

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
S-adenosylmethionine synthase isoform type-2 (Rattus norvegicus)	BDBM50367305 (CHEMBL1791430) Show SMILES CC(OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C11H18N5O13P3/c1-4(27-31(22,23)29-32(24,25)28-30(19,20)21)8-6(17)7(18)11(26-8)16-3-15-5-9(12)13-2-14-10(5)16/h2-4,6-8,11,17-18H,1H3,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t4?,6-,7+,8+,11+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.90E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant against rat kidney Methionine adenosyltransferase II, activity expressed as Ki				J Med Chem 29: 318-22 (1986) BindingDB Entry DOI: 10.7270/Q2DF6RSH
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