Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Mevalonate pyrophosphate decarboxylase'   

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
Diphosphomevalonate decarboxylase (Homo sapiens (Human))	BDBM50287710 ((2S)-1-({[(phosphonatooxy)phosphinato]oxy}acetyl)p...) Show SMILES [O-]C(=O)[C@@H]1CCCN1C(=O)COP([O-])(=O)OP([O-])([O-])=O Show InChI InChI=1S/C7H13NO10P2/c9-6(8-3-1-2-5(8)7(10)11)4-17-20(15,16)18-19(12,13)14/h5H,1-4H2,(H,10,11)(H,15,16)(H2,12,13,14)/p-4/t5-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Mevalonate 5-pyrophosphate decarboxylase				Bioorg Med Chem Lett 6: 2091-2096 (1996) Article DOI: 10.1016/0960-894X(96)00374-5 BindingDB Entry DOI: 10.7270/Q2930TPB
					More data for this Ligand-Target Pair
Diphosphomevalonate decarboxylase (Homo sapiens (Human))	BDBM50287715 ((2R)-1-({[(phosphonatooxy)phosphinato]oxy}acetyl)p...) Show SMILES [O-]C(=O)[C@H]1CCCN1C(=O)COP([O-])(=O)OP([O-])([O-])=O Show InChI InChI=1S/C7H13NO10P2/c9-6(8-3-1-2-5(8)7(10)11)4-17-20(15,16)18-19(12,13)14/h5H,1-4H2,(H,10,11)(H,15,16)(H2,12,13,14)/p-4/t5-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Mevalonate 5-pyrophosphate decarboxylase				Bioorg Med Chem Lett 6: 2091-2096 (1996) Article DOI: 10.1016/0960-894X(96)00374-5 BindingDB Entry DOI: 10.7270/Q2930TPB
					More data for this Ligand-Target Pair
Diphosphomevalonate decarboxylase (Homo sapiens (Human))	BDBM50287715 ((2R)-1-({[(phosphonatooxy)phosphinato]oxy}acetyl)p...) Show SMILES [O-]C(=O)[C@H]1CCCN1C(=O)COP([O-])(=O)OP([O-])([O-])=O Show InChI InChI=1S/C7H13NO10P2/c9-6(8-3-1-2-5(8)7(10)11)4-17-20(15,16)18-19(12,13)14/h5H,1-4H2,(H,10,11)(H,15,16)(H2,12,13,14)/p-4/t5-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against MevPP decarboxylase				Bioorg Med Chem Lett 6: 2091-2096 (1996) Article DOI: 10.1016/0960-894X(96)00374-5 BindingDB Entry DOI: 10.7270/Q2930TPB
					More data for this Ligand-Target Pair
Diphosphomevalonate decarboxylase (Homo sapiens (Human))	BDBM50287712 ([(2-{[(phosphonatooxy)phosphinato]oxy}ethyl)thio]a...) Show SMILES [O-]C(=O)CSCCOP([O-])(=O)OP([O-])([O-])=O Show InChI InChI=1S/C4H10O9P2S/c5-4(6)3-16-2-1-12-15(10,11)13-14(7,8)9/h1-3H2,(H,5,6)(H,10,11)(H2,7,8,9)/p-4	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Mevalonate 5-pyrophosphate decarboxylase				Bioorg Med Chem Lett 6: 2091-2096 (1996) Article DOI: 10.1016/0960-894X(96)00374-5 BindingDB Entry DOI: 10.7270/Q2930TPB
					More data for this Ligand-Target Pair
Diphosphomevalonate decarboxylase (Homo sapiens (Human))	BDBM50287711 ([methyl({[(phosphonatooxy)phosphinato]oxy}acetyl)a...) Show SMILES CN(CC([O-])=O)C(=O)COP([O-])(=O)OP([O-])([O-])=O Show InChI InChI=1S/C5H11NO10P2/c1-6(2-5(8)9)4(7)3-15-18(13,14)16-17(10,11)12/h2-3H2,1H3,(H,8,9)(H,13,14)(H2,10,11,12)/p-4	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against MevPP decarboxylase				Bioorg Med Chem Lett 6: 2091-2096 (1996) Article DOI: 10.1016/0960-894X(96)00374-5 BindingDB Entry DOI: 10.7270/Q2930TPB
					More data for this Ligand-Target Pair
Diphosphomevalonate decarboxylase (Homo sapiens (Human))	BDBM50287714 ((3R)-3-(fluoromethyl)-3-hydroxy-5-{[(phosphonatoox...) Show SMILES O[C@](CF)(CCOP([O-])(=O)OP([O-])([O-])=O)CC([O-])=O Show InChI InChI=1S/C6H13FO10P2/c7-4-6(10,3-5(8)9)1-2-16-19(14,15)17-18(11,12)13/h10H,1-4H2,(H,8,9)(H,14,15)(H2,11,12,13)/p-4/t6-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Mevalonate 5-pyrophosphate decarboxylase				Bioorg Med Chem Lett 6: 2091-2096 (1996) Article DOI: 10.1016/0960-894X(96)00374-5 BindingDB Entry DOI: 10.7270/Q2930TPB
					More data for this Ligand-Target Pair
Diphosphomevalonate decarboxylase (Homo sapiens (Human))	BDBM50287713 ([methyl(2-{[(phosphonatooxy)phosphinato]oxy}ethyl)...) Show SMILES CN(CCOP([O-])(=O)OP([O-])([O-])=O)CC([O-])=O Show InChI InChI=1S/C5H13NO9P2/c1-6(4-5(7)8)2-3-14-17(12,13)15-16(9,10)11/h2-4H2,1H3,(H,7,8)(H,12,13)(H2,9,10,11)/p-4	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Mevalonate 5-pyrophosphate decarboxylase				Bioorg Med Chem Lett 6: 2091-2096 (1996) Article DOI: 10.1016/0960-894X(96)00374-5 BindingDB Entry DOI: 10.7270/Q2930TPB
					More data for this Ligand-Target Pair