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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Mevalonate pyrophosphate decarboxylase'   
Target
(Institution)
LigandTarget
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
pHTemp
°C
Mevalonate pyrophosphate decarboxylase


(Homo sapiens)
BDBM50287710
PNG
((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
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n/an/a 9n/an/an/an/an/an/a


TBA

Assay Description
Compound was evaluated for its inhibitory activity against Mevalonate 5-pyrophosphate decarboxylase


Citation and Details
More data for this
Ligand-Target Pair
Mevalonate pyrophosphate decarboxylase


(Homo sapiens)
BDBM50287715
PNG
((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
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n/an/a 15n/an/an/an/an/an/a


TBA

Assay Description
Compound was evaluated for its inhibitory activity against Mevalonate 5-pyrophosphate decarboxylase


Citation and Details
More data for this
Ligand-Target Pair
Mevalonate pyrophosphate decarboxylase


(Homo sapiens)
BDBM50287712
PNG
([(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
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n/an/a 150n/an/an/an/an/an/a


TBA

Assay Description
Compound was evaluated for its inhibitory activity against Mevalonate 5-pyrophosphate decarboxylase


Citation and Details
More data for this
Ligand-Target Pair
Mevalonate pyrophosphate decarboxylase


(Homo sapiens)
BDBM50287711
PNG
([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
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n/an/a 300n/an/an/an/an/an/a


TBA

Assay Description
Compound was evaluated for its inhibitory activity against MevPP decarboxylase


Citation and Details
More data for this
Ligand-Target Pair
Mevalonate pyrophosphate decarboxylase


(Homo sapiens)
BDBM50287715
PNG
((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
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n/an/a 5.00E+6n/an/an/an/an/an/a


TBA

Assay Description
Compound was evaluated for its inhibitory activity against Mevalonate 5-pyrophosphate decarboxylase


Citation and Details
More data for this
Ligand-Target Pair
Mevalonate pyrophosphate decarboxylase


(Homo sapiens)
BDBM50287714
PNG
((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
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37n/an/an/an/an/an/an/an/a


TBA

Assay Description
Compound was evaluated for its inhibitory activity against Mevalonate 5-pyrophosphate decarboxylase


Citation and Details
More data for this
Ligand-Target Pair
Mevalonate pyrophosphate decarboxylase


(Homo sapiens)
BDBM50287713
PNG
([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
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750n/an/an/an/an/an/an/an/a


TBA

Assay Description
Compound was evaluated for its inhibitory activity against Mevalonate 5-pyrophosphate decarboxylase


Citation and Details
More data for this
Ligand-Target Pair