Compile Data Set for Download or QSAR

Found 31 hits Enz. Inhib. hit(s) with Target = 'Orotate phosphoribosyltransferase (HsOPRT)'   

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
Uridine 5'-monophosphate synthase (Homo sapiens (Human))	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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	350	-38.3	n/a	n/a	n/a	n/a	n/a	7.5	37
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
Uridine 5'-monophosphate synthase (Homo sapiens (Human))	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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.66E+4	-28.4	n/a	n/a	n/a	n/a	n/a	7.5	37
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
Uridine 5'-monophosphate synthase (Homo sapiens (Human))	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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	9.80E+4	-23.8	n/a	n/a	n/a	n/a	n/a	7.5	37
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)
Uridine 5'-monophosphate synthase (Homo sapiens (Human))	BDBM214779 (OPRT inhibitor, 2) Show SMILES OC1C(O)[C@H](Oc2ccc(cc2)[N+]([O-])=O)O[C@@H]1COP(O)(O)=O |r| Show InChI InChI=1S/C11H14NO10P/c13-9-8(5-20-23(17,18)19)22-11(10(9)14)21-7-3-1-6(2-4-7)12(15)16/h1-4,8-11,13-14H,5H2,(H2,17,18,19)/t8-,9?,10?,11-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	41	-42.2	n/a	n/a	n/a	n/a	n/a	8.0	25
Albert Einstein College of Medicine					Assay Description Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...				J Biol Chem 288: 34746-54 (2013) Article DOI: 10.1074/jbc.M113.521955 BindingDB Entry DOI: 10.7270/Q2T152GD
					More data for this Ligand-Target Pair
Uridine 5'-monophosphate synthase (Homo sapiens (Human))	BDBM214786 (OPRT inhibitor, 9) Show SMILES OC[C@@H]1C(O)C(O)C[NH+]1CCn1cc(Br)c(=O)[nH]c1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	80	-40.5	n/a	n/a	n/a	n/a	n/a	8.0	25
Albert Einstein College of Medicine					Assay Description Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...				J Biol Chem 288: 34746-54 (2013) Article DOI: 10.1074/jbc.M113.521955 BindingDB Entry DOI: 10.7270/Q2T152GD
					More data for this Ligand-Target Pair
Uridine 5'-monophosphate synthase (Homo sapiens (Human))	BDBM214791 (OPRT inhibitor, 14) Show SMILES OC[C@H]1C[N@@H+](Cc2c([nH]c(=O)[nH]c2=O)C(O)=O)CC1O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	83	-40.4	n/a	n/a	n/a	n/a	n/a	8.0	25
Albert Einstein College of Medicine					Assay Description Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...				J Biol Chem 288: 34746-54 (2013) Article DOI: 10.1074/jbc.M113.521955 BindingDB Entry DOI: 10.7270/Q2T152GD
					More data for this Ligand-Target Pair
Uridine 5'-monophosphate synthase (Homo sapiens (Human))	BDBM214785 (OPRT inhibitor, 8) Show SMILES OC1C(O)[C@@H]2Cn3c(cc(=O)[nH]c3=O)C(=O)N2[C@@H]1COP(O)(O)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	90	-40.2	n/a	n/a	n/a	n/a	n/a	8.0	25
Albert Einstein College of Medicine					Assay Description Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...				J Biol Chem 288: 34746-54 (2013) Article DOI: 10.1074/jbc.M113.521955 BindingDB Entry DOI: 10.7270/Q2T152GD
					More data for this Ligand-Target Pair
Uridine 5'-monophosphate synthase (Homo sapiens (Human))	BDBM214784 (OPRT inhibitor, 7) Show SMILES OC[C@@H]1C(O)C(O)[C@@H]2Cn3c(cc(=O)[nH]c3=O)C(=O)N12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	110	-39.7	n/a	n/a	n/a	n/a	n/a	8.0	25
Albert Einstein College of Medicine					Assay Description Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...				J Biol Chem 288: 34746-54 (2013) Article DOI: 10.1074/jbc.M113.521955 BindingDB Entry DOI: 10.7270/Q2T152GD
					More data for this Ligand-Target Pair
Uridine 5'-monophosphate synthase (Homo sapiens (Human))	BDBM214778 (OPRT inhibitor, 1 ) Show SMILES OC[C@H]1O[C@@H](Oc2ccc(cc2)[N+]([O-])=O)C(O)C1O |r| Show InChI InChI=1S/C11H13NO7/c13-5-8-9(14)10(15)11(19-8)18-7-3-1-6(2-4-7)12(16)17/h1-4,8-11,13-15H,5H2/t8-,9?,10?,11-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	120	-39.5	n/a	n/a	n/a	n/a	n/a	8.0	25
Albert Einstein College of Medicine					Assay Description Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...				J Biol Chem 288: 34746-54 (2013) Article DOI: 10.1074/jbc.M113.521955 BindingDB Entry DOI: 10.7270/Q2T152GD
					More data for this Ligand-Target Pair
Uridine 5'-monophosphate synthase (Homo sapiens (Human))	BDBM214797 (OPRT inhibitor, 20) Show SMILES OCC(CO)[NH2+]CCc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C11H16N2O4/c14-7-10(8-15)12-6-5-9-1-3-11(4-2-9)13(16)17/h1-4,10,12,14-15H,5-8H2/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	120	-39.5	n/a	n/a	n/a	n/a	n/a	8.0	25
Albert Einstein College of Medicine					Assay Description Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...				J Biol Chem 288: 34746-54 (2013) Article DOI: 10.1074/jbc.M113.521955 BindingDB Entry DOI: 10.7270/Q2T152GD
					More data for this Ligand-Target Pair
Uridine 5'-monophosphate synthase (Homo sapiens (Human))	BDBM214783 (OPRT inhibitor, 6) Show SMILES OC1[C@@H](COP(O)(O)=O)[NH2+][C@@H](Cn2c(cc(=O)[nH]c2=O)C#N)C1O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	140	-39.1	n/a	n/a	n/a	n/a	n/a	8.0	25
Albert Einstein College of Medicine					Assay Description Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...				J Biol Chem 288: 34746-54 (2013) Article DOI: 10.1074/jbc.M113.521955 BindingDB Entry DOI: 10.7270/Q2T152GD
					More data for this Ligand-Target Pair
Uridine 5'-monophosphate synthase (Homo sapiens (Human))	BDBM214796 (OPRT inhibitor, 19) Show SMILES OCC(CO)[NH2+]Cc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C10H14N2O4/c13-6-9(7-14)11-5-8-1-3-10(4-2-8)12(15)16/h1-4,9,11,13-14H,5-7H2/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	150	-38.9	n/a	n/a	n/a	n/a	n/a	8.0	25
Albert Einstein College of Medicine					Assay Description Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...				J Biol Chem 288: 34746-54 (2013) Article DOI: 10.1074/jbc.M113.521955 BindingDB Entry DOI: 10.7270/Q2T152GD
					More data for this Ligand-Target Pair
Uridine 5'-monophosphate synthase (Homo sapiens (Human))	BDBM214781 (OPRT inhibitor, 4) Show SMILES OC1C(O)[C@H](Cn2cc(Br)c(=O)[nH]c2=O)[NH2+][C@@H]1COP(O)(O)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	200	-38.2	n/a	n/a	n/a	n/a	n/a	8.0	25
Albert Einstein College of Medicine					Assay Description Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...				J Biol Chem 288: 34746-54 (2013) Article DOI: 10.1074/jbc.M113.521955 BindingDB Entry DOI: 10.7270/Q2T152GD
					More data for this Ligand-Target Pair
Uridine 5'-monophosphate synthase (Homo sapiens (Human))	BDBM214794 (OPRT inhibitor, 17) Show SMILES OC[C@H]1C[N@@H+](Cc2ccc(cc2)[N+]([O-])=O)CC1O |r| Show InChI InChI=1S/C12H16N2O4/c15-8-10-6-13(7-12(10)16)5-9-1-3-11(4-2-9)14(17)18/h1-4,10,12,15-16H,5-8H2/p+1/t10-,12?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	200	-38.2	n/a	n/a	n/a	n/a	n/a	8.0	25
Albert Einstein College of Medicine					Assay Description Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...				J Biol Chem 288: 34746-54 (2013) Article DOI: 10.1074/jbc.M113.521955 BindingDB Entry DOI: 10.7270/Q2T152GD
					More data for this Ligand-Target Pair
Uridine 5'-monophosphate synthase (Homo sapiens (Human))	BDBM214795 (OPRT inhibitor, 18) Show SMILES OC[C@H]1C[N@@H+](CCc2ccc(cc2)[N+]([O-])=O)CC1O |r| Show InChI InChI=1S/C13H18N2O4/c16-9-11-7-14(8-13(11)17)6-5-10-1-3-12(4-2-10)15(18)19/h1-4,11,13,16-17H,5-9H2/p+1/t11-,13?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	230	-37.9	n/a	n/a	n/a	n/a	n/a	8.0	25
Albert Einstein College of Medicine					Assay Description Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...				J Biol Chem 288: 34746-54 (2013) Article DOI: 10.1074/jbc.M113.521955 BindingDB Entry DOI: 10.7270/Q2T152GD
					More data for this Ligand-Target Pair
Uridine 5'-monophosphate synthase (Homo sapiens (Human))	BDBM214793 (OPRT inhibitor, 16) Show SMILES OC[C@H]1[NH2+][C@H](C(O)C1O)c1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C11H14N2O5/c14-5-8-10(15)11(16)9(12-8)6-1-3-7(4-2-6)13(17)18/h1-4,8-12,14-16H,5H2/p+1/t8-,9+,10?,11?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	230	-37.9	n/a	n/a	n/a	n/a	n/a	8.0	25
Albert Einstein College of Medicine					Assay Description Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...				J Biol Chem 288: 34746-54 (2013) Article DOI: 10.1074/jbc.M113.521955 BindingDB Entry DOI: 10.7270/Q2T152GD
					More data for this Ligand-Target Pair
Uridine 5'-monophosphate synthase (Homo sapiens (Human))	BDBM214792 (OPRT inhibitor, 15) Show SMILES OC1C[N@H+](Cc2c([nH]c(=O)[nH]c2=O)C(O)=O)C[C@@H]1COP(O)(O)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	240	-37.8	n/a	n/a	n/a	n/a	n/a	8.0	25
Albert Einstein College of Medicine					Assay Description Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...				J Biol Chem 288: 34746-54 (2013) Article DOI: 10.1074/jbc.M113.521955 BindingDB Entry DOI: 10.7270/Q2T152GD
					More data for this Ligand-Target Pair
Uridine 5'-monophosphate synthase (Homo sapiens (Human))	BDBM214790 (OPRT inhibitor, 13) Show SMILES OC(=O)c1[nH]c(=O)[nH]c(=O)c1C[NH+]1CCCC1 Show InChI InChI=1S/C10H13N3O4/c14-8-6(5-13-3-1-2-4-13)7(9(15)16)11-10(17)12-8/h1-5H2,(H,15,16)(H2,11,12,14,17)/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	250	-37.7	n/a	n/a	n/a	n/a	n/a	8.0	25
Albert Einstein College of Medicine					Assay Description Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...				J Biol Chem 288: 34746-54 (2013) Article DOI: 10.1074/jbc.M113.521955 BindingDB Entry DOI: 10.7270/Q2T152GD
					More data for this Ligand-Target Pair
Uridine 5'-monophosphate synthase (Homo sapiens (Human))	BDBM214787 (OPRT inhibitor, 10) Show SMILES OC[C@@H]1C(O)C(O)C[NH+]1CCn1c(cc(=O)[nH]c1=O)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	290	-37.3	n/a	n/a	n/a	n/a	n/a	8.0	25
Albert Einstein College of Medicine					Assay Description Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...				J Biol Chem 288: 34746-54 (2013) Article DOI: 10.1074/jbc.M113.521955 BindingDB Entry DOI: 10.7270/Q2T152GD
					More data for this Ligand-Target Pair
Uridine 5'-monophosphate synthase (Homo sapiens (Human))	BDBM214782 (OPRT inhibitor, 5) Show SMILES OC[C@H]1[NH2+][C@@H](Cn2c(cc(=O)[nH]c2=O)C#N)C(O)C1O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	360	-36.8	n/a	n/a	n/a	n/a	n/a	8.0	25
Albert Einstein College of Medicine					Assay Description Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...				J Biol Chem 288: 34746-54 (2013) Article DOI: 10.1074/jbc.M113.521955 BindingDB Entry DOI: 10.7270/Q2T152GD
					More data for this Ligand-Target Pair
Uridine 5'-monophosphate synthase (Homo sapiens (Human))	BDBM214788 (OPRT inhibitor, 11) Show SMILES OC[C@H]1C[N@@H+](CCn2cc(Br)c(=O)[nH]c2=O)CC1O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	520	-35.9	n/a	n/a	n/a	n/a	n/a	8.0	25
Albert Einstein College of Medicine					Assay Description Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...				J Biol Chem 288: 34746-54 (2013) Article DOI: 10.1074/jbc.M113.521955 BindingDB Entry DOI: 10.7270/Q2T152GD
					More data for this Ligand-Target Pair
Uridine 5'-monophosphate synthase (Homo sapiens (Human))	BDBM214780 (OPRT inhibitor, 3) Show SMILES OC[C@H]1[NH2+][C@@H](Cn2cc(Br)c(=O)[nH]c2=O)C(O)C1O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	530	-35.8	n/a	n/a	n/a	n/a	n/a	8.0	25
Albert Einstein College of Medicine					Assay Description Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...				J Biol Chem 288: 34746-54 (2013) Article DOI: 10.1074/jbc.M113.521955 BindingDB Entry DOI: 10.7270/Q2T152GD
					More data for this Ligand-Target Pair
Uridine 5'-monophosphate synthase (Homo sapiens (Human))	BDBM214789 (OPRT inhibitor, 12) Show SMILES OC1[C@@H](COP(O)(O)=O)[NH2+][C@H](C1O)c1cnccc1C(O)=O |r| Show InChI InChI=1S/C11H15N2O8P/c14-9-7(4-21-22(18,19)20)13-8(10(9)15)6-3-12-2-1-5(6)11(16)17/h1-3,7-10,13-15H,4H2,(H,16,17)(H2,18,19,20)/p+1/t7-,8+,9?,10?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.30E+3	-30.6	n/a	n/a	n/a	n/a	n/a	8.0	25
Albert Einstein College of Medicine					Assay Description Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...				J Biol Chem 288: 34746-54 (2013) Article DOI: 10.1074/jbc.M113.521955 BindingDB Entry DOI: 10.7270/Q2T152GD
					More data for this Ligand-Target Pair
Uridine 5'-monophosphate synthase (Homo sapiens (Human))	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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	17	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 human 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
Uridine 5'-monophosphate synthase (Homo sapiens (Human))	BDBM50378784 (CHEMBL1164953) Show SMILES NC(=O)c1[nH]nc([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)c1O |r| Show InChI InChI=1S/C9H14N3O9P/c10-9(16)4-6(14)3(11-12-4)8-7(15)5(13)2(21-8)1-20-22(17,18)19/h2,5,7-8,13-15H,1H2,(H2,10,16)(H,11,12)(H2,17,18,19)/t2-,5-,7-,8+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	17	-44.3	n/a	n/a	n/a	n/a	n/a	n/a	25
University Health Network Curated by ChEMBL					Assay Description Inhibition of human uridine 5'-monophosphate synthase after overnight incubation at room temperature by UV spectroscopy				Bioorg Med Chem 18: 4032-41 (2010) Article DOI: 10.1016/j.bmc.2010.04.017 BindingDB Entry DOI: 10.7270/Q24T6KBX
					More data for this Ligand-Target Pair
Uridine 5'-monophosphate synthase (Homo sapiens (Human))	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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.83E+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 human 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
Uridine 5'-monophosphate synthase (Homo sapiens (Human))	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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2.20E+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 human 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
Uridine 5'-monophosphate synthase (Homo sapiens (Human))	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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.59E+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 human 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
Uridine 5'-monophosphate synthase (Homo sapiens (Human))	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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.40E+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 human 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
Uridine 5'-monophosphate synthase (Homo sapiens (Human))	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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+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 human 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
Uridine 5'-monophosphate synthase (Homo sapiens (Human))	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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+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 human 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