Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'S-adenosylmethionine decarboxylase proenzyme' and Ligand = 'BDBM28429'   

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 decarboxylase proenzyme (Homo sapiens (Human))	BDBM28429 ((2R,3R,4S,5R)-2-(6-amino-8-ethyl-9H-purin-9-yl)-5-...) Show SMILES CCc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CCCCON)[C@@H](O)[C@H]1O Show InChI InChI=1S/C17H29N7O4/c1-3-11-22-12-15(18)20-9-21-16(12)24(11)17-14(26)13(25)10(28-17)8-23(2)6-4-5-7-27-19/h9-10,13-14,17,25-26H,3-8,19H2,1-2H3,(H2,18,20,21)/t10-,13-,14-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	6.8	22
Cornell University					Assay Description The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotec...				J Med Chem 52: 1388-407 (2009) Article DOI: 10.1021/jm801126a BindingDB Entry DOI: 10.7270/Q2222S3J
					More data for this Ligand-Target Pair				3D Structure (docked)