Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Orotidine 5'-phosphate decarboxylase' and Ligand = 'BDBM21340'   

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
Orotidine 5'-phosphate decarboxylase (Saccharomyces cerevisiae)	BDBM21340 (6-aza-UMP | C6-Uridine Derivative, 18 | {[(2R,3S,4...) Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1ncc(=O)[nH]c1=O |r| Show InChI InChI=1S/C8H12N3O9P/c12-4-1-9-11(8(15)10-4)7-6(14)5(13)3(20-7)2-19-21(16,17)18/h1,3,5-7,13-14H,2H2,(H,10,12,15)(H2,16,17,18)/t3-,5-,6-,7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae ODCase at 25 degreeC by competitive binding assay				J Med Chem 49: 4937-45 (2006) Article DOI: 10.1021/jm060202r BindingDB Entry DOI: 10.7270/Q2J9676J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Orotidine 5'-phosphate decarboxylase (Methanobacterium thermoautotrophicum)	BDBM21340 (6-aza-UMP | C6-Uridine Derivative, 18 | {[(2R,3S,4...) Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1ncc(=O)[nH]c1=O |r| Show InChI InChI=1S/C8H12N3O9P/c12-4-1-9-11(8(15)10-4)7-6(14)5(13)3(20-7)2-19-21(16,17)18/h1,3,5-7,13-14H,2H2,(H,10,12,15)(H2,16,17,18)/t3-,5-,6-,7-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.24E+4	-30.8	n/a	n/a	n/a	n/a	n/a	7.5	55
Toronto General Research Institute					Assay Description An enzyme assay method using isothermal titration calorimetry (ITC) was developed to investigate the inhibition kinetics of ODCase. Titrations were p...				J Med Chem 51: 439-48 (2008) Article DOI: 10.1021/jm7010673 BindingDB Entry DOI: 10.7270/Q27H1GWS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Orotidine 5'-phosphate decarboxylase (Methanobacterium thermoautotrophicum)	BDBM21340 (6-aza-UMP | C6-Uridine Derivative, 18 | {[(2R,3S,4...) Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1ncc(=O)[nH]c1=O |r| Show InChI InChI=1S/C8H12N3O9P/c12-4-1-9-11(8(15)10-4)7-6(14)5(13)3(20-7)2-19-21(16,17)18/h1,3,5-7,13-14H,2H2,(H,10,12,15)(H2,16,17,18)/t3-,5-,6-,7-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of Methanobacterium thermoautotrophicum ODCase at 55 degreeC by competitive binding assay				J Med Chem 49: 4937-45 (2006) Article DOI: 10.1021/jm060202r BindingDB Entry DOI: 10.7270/Q2J9676J
					More data for this Ligand-Target Pair				3D Structure (crystal)