Compile Data Set for Download or QSAR

Found 27 hits of ki data for polymerid = 2140   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Orotidine 5'-phosphate decarboxylase (Methanobacterium thermoautotrophicum)	BDBM21337 (6-Azido-uridine 5-O-Monophosphate | C6-Uridine Der...) Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1c(cc(=O)[nH]c1=O)N=[N+]=[N-] |r| Show InChI InChI=1S/C9H12N5O9P/c10-13-12-4-1-5(15)11-9(18)14(4)8-7(17)6(16)3(23-8)2-22-24(19,20)21/h1,3,6-8,16-17H,2H2,(H,11,15,18)(H2,19,20,21)/t3-,6-,7-,8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	190	-10.1	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)	BDBM21337 (6-Azido-uridine 5-O-Monophosphate | C6-Uridine Der...) Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1c(cc(=O)[nH]c1=O)N=[N+]=[N-] |r| Show InChI InChI=1S/C9H12N5O9P/c10-13-12-4-1-5(15)11-9(18)14(4)8-7(17)6(16)3(23-8)2-22-24(19,20)21/h1,3,6-8,16-17H,2H2,(H,11,15,18)(H2,19,20,21)/t3-,6-,7-,8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	200	-10.1	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 52: 1648-58 (2009) Article DOI: 10.1021/jm801224t BindingDB Entry DOI: 10.7270/Q2RR1WJB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Orotidine 5'-phosphate decarboxylase (Methanobacterium thermoautotrophicum)	BDBM27944 (uridine derivative, 41 | {[(2R,3S,4R,5R)-5-(6-azid...) Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)n1c(N=[N+]=[N-])c(F)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C9H11FN5O9P/c10-3-6(13-14-11)15(9(19)12-7(3)18)8-5(17)4(16)2(24-8)1-23-25(20,21)22/h2,4-5,8,16-17H,1H2,(H,12,18,19)(H2,20,21,22)/t2-,4-,5-,8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	360	-9.67	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 52: 1648-58 (2009) Article DOI: 10.1021/jm801224t BindingDB Entry DOI: 10.7270/Q2RR1WJB
					More data for this Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase (Methanobacterium thermoautotrophicum)	BDBM50341908 (((2S,3S,4R,5R)-5-(5-azido-2,4-dioxo-3,4-dihydropyr...) Show SMILES O[C@@H]1[C@@H](CP(O)(O)=O)O[C@H]([C@@H]1O)n1cc(N=[N+]=[N-])c(=O)[nH]c1=O |r| Show InChI InChI=1S/C9H12N5O8P/c10-13-12-3-1-14(9(18)11-7(3)17)8-6(16)5(15)4(22-8)2-23(19,20)21/h1,4-6,8,15-16H,2H2,(H,11,17,18)(H2,19,20,21)/t4-,5-,6-,8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Irreversible inhibition of Methanobacterium thermoautotrophicum 5'-monophosphate decarboxylase				J Med Chem 54: 2891-901 (2011) Article DOI: 10.1021/jm101642g BindingDB Entry DOI: 10.7270/Q2V98924
					More data for this Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase (Methanobacterium thermoautotrophicum)	BDBM21338 (6-Amino-uridine 5-O-Monophosphate | C6-Uridine Der...) Show SMILES Nc1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C9H14N3O9P/c10-4-1-5(13)11-9(16)12(4)8-7(15)6(14)3(21-8)2-20-22(17,18)19/h1,3,6-8,14-15H,2,10H2,(H,11,13,16)(H2,17,18,19)/t3-,6-,7-,8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	840	-9.12	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)	BDBM21338 (6-Amino-uridine 5-O-Monophosphate | C6-Uridine Der...) Show SMILES Nc1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C9H14N3O9P/c10-4-1-5(13)11-9(16)12(4)8-7(15)6(14)3(21-8)2-20-22(17,18)19/h1,3,6-8,14-15H,2,10H2,(H,11,13,16)(H2,17,18,19)/t3-,6-,7-,8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	840	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)
Orotidine 5'-phosphate decarboxylase (Methanobacterium thermoautotrophicum)	BDBM21338 (6-Amino-uridine 5-O-Monophosphate | C6-Uridine Der...) Show SMILES Nc1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C9H14N3O9P/c10-4-1-5(13)11-9(16)12(4)8-7(15)6(14)3(21-8)2-20-22(17,18)19/h1,3,6-8,14-15H,2,10H2,(H,11,13,16)(H2,17,18,19)/t3-,6-,7-,8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	840	-9.12	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 52: 1648-58 (2009) Article DOI: 10.1021/jm801224t BindingDB Entry DOI: 10.7270/Q2RR1WJB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Orotidine 5'-phosphate decarboxylase (Methanobacterium thermoautotrophicum)	BDBM50459997 (47599 | CHEBI:90284 | Pirazofurin | Pyrazofurin) Show SMILES NC(=O)c1[nH]nc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1O Show InChI InChI=1S/C9H13N3O6/c10-9(17)4-6(15)3(11-12-4)8-7(16)5(14)2(1-13)18-8/h2,5,7-8,13-16H,1H2,(H2,10,17)(H,11,12)/t2-,5-,7-,8+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Methanobacterium thermoautotrophicum ODCase				Bioorg Med Chem 26: 551-565 (2018) Article DOI: 10.1016/j.bmc.2017.11.037 BindingDB Entry DOI: 10.7270/Q2639SBX
					More data for this Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase (Methanobacterium thermoautotrophicum)	BDBM47402 (2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ncc(=O)[nH]c1=O Show InChI InChI=1S/C8H11N3O6/c12-2-3-5(14)6(15)7(17-3)11-8(16)10-4(13)1-9-11/h1,3,5-7,12,14-15H,2H2,(H,10,13,16)/t3-,5-,6-,7-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Methanobacterium thermoautotrophicum ODCase				Bioorg Med Chem 26: 551-565 (2018) Article DOI: 10.1016/j.bmc.2017.11.037 BindingDB Entry DOI: 10.7270/Q2639SBX
					More data for this Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase (Methanobacterium thermoautotrophicum)	BDBM50398698 (CHEMBL2178721) Show SMILES Nc1ccn([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]2O)c(=O)[n+]1[O-] |r| Show InChI InChI=1S/C9H14N3O9P/c10-5-1-2-11(9(15)12(5)16)8-7(14)6(13)4(21-8)3-20-22(17,18)19/h1-2,4,6-8,13-14H,3,10H2,(H2,17,18,19)/p-2/t4-,6-,7-,8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.11E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of Methanobacterium thermoautotrophicum ODCase by isothermal titration calorimetry				J Med Chem 55: 9988-97 (2012) Article DOI: 10.1021/jm301176r BindingDB Entry DOI: 10.7270/Q2DR2WPD
					More data for this Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase (Methanobacterium thermoautotrophicum)	BDBM27945 (uridine derivative, 42 | {[(2R,3S,4R,5R)-5-(6-amin...) Show SMILES Nc1c(F)c(=O)[nH]c(=O)n1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C9H13FN3O9P/c10-3-6(11)13(9(17)12-7(3)16)8-5(15)4(14)2(22-8)1-21-23(18,19)20/h2,4-5,8,14-15H,1,11H2,(H,12,16,17)(H2,18,19,20)/t2-,4-,5-,8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.14E+4	-7.42	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 52: 1648-58 (2009) Article DOI: 10.1021/jm801224t BindingDB Entry DOI: 10.7270/Q2RR1WJB
					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	-7.36	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)
Orotidine 5'-phosphate decarboxylase (Methanobacterium thermoautotrophicum)	BDBM21335 (6-cyanouridine 5-monophosphate | C6-Uridine Deriva...) Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1c(cc(=O)[nH]c1=O)C#N |r| Show InChI InChI=1S/C10H12N3O9P/c11-2-4-1-6(14)12-10(17)13(4)9-8(16)7(15)5(22-9)3-21-23(18,19)20/h1,5,7-9,15-16H,3H2,(H,12,14,17)(H2,18,19,20)/t5-,7-,8-,9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	2.90E+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)
Orotidine 5'-phosphate decarboxylase (Methanobacterium thermoautotrophicum)	BDBM21335 (6-cyanouridine 5-monophosphate | C6-Uridine Deriva...) Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1c(cc(=O)[nH]c1=O)C#N |r| Show InChI InChI=1S/C10H12N3O9P/c11-2-4-1-6(14)12-10(17)13(4)9-8(16)7(15)5(22-9)3-21-23(18,19)20/h1,5,7-9,15-16H,3H2,(H,12,14,17)(H2,18,19,20)/t5-,7-,8-,9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	2.90E+4	-6.81	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)	BDBM21335 (6-cyanouridine 5-monophosphate | C6-Uridine Deriva...) Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1c(cc(=O)[nH]c1=O)C#N |r| Show InChI InChI=1S/C10H12N3O9P/c11-2-4-1-6(14)12-10(17)13(4)9-8(16)7(15)5(22-9)3-21-23(18,19)20/h1,5,7-9,15-16H,3H2,(H,12,14,17)(H2,18,19,20)/t5-,7-,8-,9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	2.90E+4	-6.81	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 52: 1648-58 (2009) Article DOI: 10.1021/jm801224t BindingDB Entry DOI: 10.7270/Q2RR1WJB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Orotidine 5'-phosphate decarboxylase (Methanobacterium thermoautotrophicum)	BDBM27946 (uridine derivative, 43 | {[(2R,3S,4R,5R)-5-(6-ethy...) Show SMILES CCc1c(F)c(=O)[nH]c(=O)n1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H16FN2O9P/c1-2-4-6(12)9(17)13-11(18)14(4)10-8(16)7(15)5(23-10)3-22-24(19,20)21/h5,7-8,10,15-16H,2-3H2,1H3,(H,13,17,18)(H2,19,20,21)/t5-,7-,8-,10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.90E+4	-6.81	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 52: 1648-58 (2009) Article DOI: 10.1021/jm801224t BindingDB Entry DOI: 10.7270/Q2RR1WJB
					More data for this Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase (Methanobacterium thermoautotrophicum)	BDBM50341905 (CHEMBL1765124 | ammonium 6-Cyano-2'-deoxy-2'-fluor...) Show SMILES O[C@@H]1[C@@H](CP([O-])([O-])=O)O[C@H]([C@@H]1F)n1c(cc(=O)[nH]c1=O)C#N |r| Show InChI InChI=1S/C10H11FN3O7P/c11-7-8(16)5(3-22(18,19)20)21-9(7)14-4(2-12)1-6(15)13-10(14)17/h1,5,7-9,16H,3H2,(H,13,15,17)(H2,18,19,20)/p-2/t5-,7-,8-,9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of Methanobacterium thermoautotrophicum 5'-monophosphate decarboxylase by VP-ITC microcalorimeter				J Med Chem 54: 2891-901 (2011) Article DOI: 10.1021/jm101642g BindingDB Entry DOI: 10.7270/Q2V98924
					More data for this Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase (Methanobacterium thermoautotrophicum)	BDBM21339 (6-Methyl-uridine 5-O-Monophosphate | C6-Uridine De...) Show SMILES Cc1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H15N2O9P/c1-4-2-6(13)11-10(16)12(4)9-8(15)7(14)5(21-9)3-20-22(17,18)19/h2,5,7-9,14-15H,3H2,1H3,(H,11,13,16)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.34E+5	-5.81	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 52: 1648-58 (2009) Article DOI: 10.1021/jm801224t BindingDB Entry DOI: 10.7270/Q2RR1WJB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Orotidine 5'-phosphate decarboxylase (Methanobacterium thermoautotrophicum)	BDBM21339 (6-Methyl-uridine 5-O-Monophosphate | C6-Uridine De...) Show SMILES Cc1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H15N2O9P/c1-4-2-6(13)11-10(16)12(4)9-8(15)7(14)5(21-9)3-20-22(17,18)19/h2,5,7-9,14-15H,3H2,1H3,(H,11,13,16)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.34E+5	-5.81	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)	BDBM50398699 (CHEMBL214393) Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	3.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of Methanobacterium thermoautotrophicum ODCase by isothermal titration calorimetry				J Med Chem 55: 9988-97 (2012) Article DOI: 10.1021/jm301176r BindingDB Entry DOI: 10.7270/Q2DR2WPD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Orotidine 5'-phosphate decarboxylase (Methanobacterium thermoautotrophicum)	BDBM50341907 (CHEMBL1765122 | ammonium 5-Cyano-2'-deoxy-2'-fluor...) Show SMILES O[C@@H]1[C@@H](CP([O-])([O-])=O)O[C@H]([C@@H]1F)n1cc(C#N)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H11FN3O7P/c11-6-7(15)5(3-22(18,19)20)21-9(6)14-2-4(1-12)8(16)13-10(14)17/h2,5-7,9,15H,3H2,(H,13,16,17)(H2,18,19,20)/p-2/t5-,6-,7-,9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of Methanobacterium thermoautotrophicum 5'-monophosphate decarboxylase by VP-ITC microcalorimeter				J Med Chem 54: 2891-901 (2011) Article DOI: 10.1021/jm101642g BindingDB Entry DOI: 10.7270/Q2V98924
					More data for this Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase (Methanobacterium thermoautotrophicum)	BDBM27943 (uridine derivative, 39 | {[(2R,3S,4R,5R)-5-(5-fluo...) Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(F)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C9H12FN2O9P/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(21-8)2-20-22(17,18)19/h1,4-6,8,13-14H,2H2,(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	6.45E+5	-4.79	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 52: 1648-58 (2009) Article DOI: 10.1021/jm801224t BindingDB Entry DOI: 10.7270/Q2RR1WJB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Orotidine 5'-phosphate decarboxylase (Methanobacterium thermoautotrophicum)	BDBM50341909 (CHEMBL1765126 | ammonium 6-Azido-2'-deoxy-2'-fluor...) Show SMILES O[C@@H]1[C@@H](CP([O-])([O-])=O)O[C@H]([C@@H]1O)n1c(cc(=O)[nH]c1=O)N=[N+]=[N-] |r| Show InChI InChI=1S/C9H12N5O8P/c10-13-12-4-1-5(15)11-9(18)14(4)8-7(17)6(16)3(22-8)2-23(19,20)21/h1,3,6-8,16-17H,2H2,(H,11,15,18)(H2,19,20,21)/p-2/t3-,6-,7-,8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Irreversible inhibition of Methanobacterium thermoautotrophicum 5'-monophosphate decarboxylase				J Med Chem 54: 2891-901 (2011) Article DOI: 10.1021/jm101642g BindingDB Entry DOI: 10.7270/Q2V98924
					More data for this Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase (Methanobacterium thermoautotrophicum)	BDBM50310540 (((2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)...) Show SMILES Nc1ccn([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r| Show InChI InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.20E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of Methanobacterium thermoautotrophicum ODCase by isothermal titration calorimetry				J Med Chem 55: 9988-97 (2012) Article DOI: 10.1021/jm301176r BindingDB Entry DOI: 10.7270/Q2DR2WPD
					More data for this Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase (Methanobacterium thermoautotrophicum)	BDBM50341906 (Ammonium 6-Amido-2'-deoxy-2'-fluoro-beta-D-uridine...) Show SMILES NC(=O)c1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](CP([O-])([O-])=O)[C@@H](O)[C@H]1F |r| Show InChI InChI=1S/C10H13FN3O8P/c11-6-7(16)4(2-23(19,20)21)22-9(6)14-3(8(12)17)1-5(15)13-10(14)18/h1,4,6-7,9,16H,2H2,(H2,12,17)(H,13,15,18)(H2,19,20,21)/p-2/t4-,6-,7-,9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.32E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of Methanobacterium thermoautotrophicum 5'-monophosphate decarboxylase by VP-ITC microcalorimeter				J Med Chem 54: 2891-901 (2011) Article DOI: 10.1021/jm101642g BindingDB Entry DOI: 10.7270/Q2V98924
					More data for this Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase (Methanobacterium thermoautotrophicum)	BDBM50341905 (CHEMBL1765124 | ammonium 6-Cyano-2'-deoxy-2'-fluor...) Show SMILES O[C@@H]1[C@@H](CP([O-])([O-])=O)O[C@H]([C@@H]1F)n1c(cc(=O)[nH]c1=O)C#N |r| Show InChI InChI=1S/C10H11FN3O7P/c11-7-8(16)5(3-22(18,19)20)21-9(7)14-4(2-12)1-6(15)13-10(14)17/h1,5,7-9,16H,3H2,(H,13,15,17)(H2,18,19,20)/p-2/t5-,7-,8-,9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Irreversible inhibition of Methanobacterium thermoautotrophicum 5'-monophosphate decarboxylase				J Med Chem 54: 2891-901 (2011) Article DOI: 10.1021/jm101642g BindingDB Entry DOI: 10.7270/Q2V98924
					More data for this Ligand-Target Pair