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Patent code US9718854

Compile Data Set for Download or QSAR
Found 20 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Dihydrodipicolinate synthase-like, mitochondrial


(Homo sapiens)
BDBM267947
PNG
((3aR,5R,6S,7R,7aR)-5- ((cyclopentylamino)methyl)-2...)
Show SMILES CNC1=N[C@H]2[C@H](O[C@H](CNC3CCCC3)[C@@H](O)[C@@H]2O)S1
Show InChI InChI=1S/C13H23N3O3S/c1-14-13-16-9-11(18)10(17)8(19-12(9)20-13)6-15-7-4-2-3-5-7/h7-12,15,17-18H,2-6H2,1H3,(H,14,16)/t8-,9-,10-,11-,12-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acet...


Citation and Details
More data for this
Ligand-Target Pair
Dihydrodipicolinate synthase-like, mitochondrial


(Homo sapiens)
BDBM267944
PNG
((3aR,5R,6S,7R,7aR)-5- ((cyclopropylamino)methyl)-2...)
Show SMILES CNC1=N[C@H]2[C@H](O[C@H](CNC3CC3)[C@@H](O)[C@@H]2O)S1
Show InChI InChI=1S/C11H19N3O3S/c1-12-11-14-7-9(16)8(15)6(17-10(7)18-11)4-13-5-2-3-5/h5-10,13,15-16H,2-4H2,1H3,(H,12,14)/t6-,7-,8-,9-,10-/m1/s1
PDB

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1.30n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acet...


Citation and Details
More data for this
Ligand-Target Pair
Dihydrodipicolinate synthase-like, mitochondrial


(Homo sapiens)
BDBM267946
PNG
((3aR,5R,6S,7R,7aR)-5- ((cyclobutylamino)methyl)-2-...)
Show SMILES CNC1=N[C@H]2[C@H](O[C@H](CNC3CCC3)[C@@H](O)[C@@H]2O)S1
Show InChI InChI=1S/C12H21N3O3S/c1-13-12-15-8-10(17)9(16)7(18-11(8)19-12)5-14-6-3-2-4-6/h6-11,14,16-17H,2-5H2,1H3,(H,13,15)/t7-,8-,9-,10-,11-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acet...


Citation and Details
More data for this
Ligand-Target Pair
Dihydrodipicolinate synthase-like, mitochondrial


(Homo sapiens)
BDBM267936
PNG
(((3aR,5R,6S,7R,7aR)-6,7-dihydroxy- 2-(methylamino)...)
Show SMILES CCN(CC)C(=O)OC[C@H]1O[C@@H]2SC(NC)=N[C@@H]2[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C13H23N3O5S/c1-4-16(5-2)13(19)20-6-7-9(17)10(18)8-11(21-7)22-12(14-3)15-8/h7-11,17-18H,4-6H2,1-3H3,(H,14,15)/t7-,8-,9-,10-,11-/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acet...


Citation and Details
More data for this
Ligand-Target Pair
Dihydrodipicolinate synthase-like, mitochondrial


(Homo sapiens)
BDBM267938
PNG
((3aR,5R,6S,7R,7aR)-2- (methylamino)-5- ((methylami...)
Show SMILES CNC[C@H]1O[C@@H]2SC(NC)=N[C@@H]2[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C9H17N3O3S/c1-10-3-4-6(13)7(14)5-8(15-4)16-9(11-2)12-5/h4-8,10,13-14H,3H2,1-2H3,(H,11,12)/t4-,5-,6-,7-,8-/m1/s1
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2.80n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acet...


Citation and Details
More data for this
Ligand-Target Pair
Dihydrodipicolinate synthase-like, mitochondrial


(Homo sapiens)
BDBM267964
PNG
((3aR,5R,6S,7R,7aR)-5-(((2- hydroxyethyl)amino)meth...)
Show SMILES CNC1=N[C@H]2[C@H](O[C@H](CNCCO)[C@@H](O)[C@@H]2O)S1
Show InChI InChI=1S/C10H19N3O4S/c1-11-10-13-6-8(16)7(15)5(4-12-2-3-14)17-9(6)18-10/h5-9,12,14-16H,2-4H2,1H3,(H,11,13)/t5-,6-,7-,8-,9-/m1/s1
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3n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acet...


Citation and Details
More data for this
Ligand-Target Pair
Dihydrodipicolinate synthase-like, mitochondrial


(Homo sapiens)
BDBM267943
PNG
((3aR,5R,6S,7R,7aR)-5-(((2- methoxyethyl)amino)meth...)
Show SMILES CNC1=N[C@H]2[C@H](O[C@H](CNCCOC)[C@@H](O)[C@@H]2O)S1
Show InChI InChI=1S/C11H21N3O4S/c1-12-11-14-7-9(16)8(15)6(18-10(7)19-11)5-13-3-4-17-2/h6-10,13,15-16H,3-5H2,1-2H3,(H,12,14)/t6-,7-,8-,9-,10-/m1/s1
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3.30n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acet...


Citation and Details
More data for this
Ligand-Target Pair
Dihydrodipicolinate synthase-like, mitochondrial


(Homo sapiens)
BDBM267941
PNG
((3aR,5R,6S,7R,7aR)-5- ((ethylamino)methyl)-2- (met...)
Show SMILES CCNC[C@H]1O[C@@H]2SC(NC)=N[C@@H]2[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C10H19N3O3S/c1-3-12-4-5-7(14)8(15)6-9(16-5)17-10(11-2)13-6/h5-9,12,14-15H,3-4H2,1-2H3,(H,11,13)/t5-,6-,7-,8-,9-/m1/s1
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3.70n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acet...


Citation and Details
More data for this
Ligand-Target Pair
Dihydrodipicolinate synthase-like, mitochondrial


(Homo sapiens)
BDBM267942
PNG
((3aR,5R,6S,7R,7aR)-5- ((allylamino)methyl)-2- (met...)
Show SMILES CNC1=N[C@H]2[C@H](O[C@H](CNCC=C)[C@@H](O)[C@@H]2O)S1
Show InChI InChI=1S/C11H19N3O3S/c1-3-4-13-5-6-8(15)9(16)7-10(17-6)18-11(12-2)14-7/h3,6-10,13,15-16H,1,4-5H2,2H3,(H,12,14)/t6-,7-,8-,9-,10-/m1/s1
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3.80n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acet...


Citation and Details
More data for this
Ligand-Target Pair
Dihydrodipicolinate synthase-like, mitochondrial


(Homo sapiens)
BDBM267937
PNG
((3aR,5R,6S,7R,7aR)-2-(ethylamino)- 5-((isopropylam...)
Show SMILES CCNC1=N[C@H]2[C@H](O[C@H](CNC(C)C)[C@@H](O)[C@@H]2O)S1
Show InChI InChI=1S/C12H23N3O3S/c1-4-13-12-15-8-10(17)9(16)7(5-14-6(2)3)18-11(8)19-12/h6-11,14,16-17H,4-5H2,1-3H3,(H,13,15)/t7-,8-,9-,10-,11-/m1/s1
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5.40n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acet...


Citation and Details
More data for this
Ligand-Target Pair
Dihydrodipicolinate synthase-like, mitochondrial


(Homo sapiens)
BDBM267965
PNG
(2-((((3aR,5R,6S,7R,7aR)-6,7- dihydroxy-2-(methylam...)
Show SMILES CNC1=N[C@H]2[C@H](O[C@H](CNC[N+]#[C-])[C@@H](O)[C@@H]2O)S1
Show InChI InChI=1S/C10H16N4O3S/c1-11-4-13-3-5-7(15)8(16)6-9(17-5)18-10(12-2)14-6/h5-9,13,15-16H,3-4H2,2H3,(H,12,14)/t5-,6-,7-,8-,9-/m1/s1
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5.40n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acet...


Citation and Details
More data for this
Ligand-Target Pair
Dihydrodipicolinate synthase-like, mitochondrial


(Homo sapiens)
BDBM267939
PNG
((3aR,5R,6S,7R,7aR)-2-(ethylamino)- 5-((methylamino...)
Show SMILES CCNC1=N[C@H]2[C@H](O[C@H](CNC)[C@@H](O)[C@@H]2O)S1
Show InChI InChI=1S/C10H19N3O3S/c1-3-12-10-13-6-8(15)7(14)5(4-11-2)16-9(6)17-10/h5-9,11,14-15H,3-4H2,1-2H3,(H,12,13)/t5-,6-,7-,8-,9-/m1/s1
PDB

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5.60n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acet...


Citation and Details
More data for this
Ligand-Target Pair
Dihydrodipicolinate synthase-like, mitochondrial


(Homo sapiens)
BDBM267963
PNG
((3aR,5R,6S,7R,7aR)-5-(((3- hydroxypropyl)amino)met...)
Show SMILES CNC1=N[C@H]2[C@H](O[C@H](CNCCCO)[C@@H](O)[C@@H]2O)S1
Show InChI InChI=1S/C11H21N3O4S/c1-12-11-14-7-9(17)8(16)6(18-10(7)19-11)5-13-3-2-4-15/h6-10,13,15-17H,2-5H2,1H3,(H,12,14)/t6-,7-,8-,9-,10-/m1/s1
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6n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acet...


Citation and Details
More data for this
Ligand-Target Pair
Dihydrodipicolinate synthase-like, mitochondrial


(Homo sapiens)
BDBM267945
PNG
((3aR,5R,6S,7R,7aR)-5- ((cyclopropylamino)methyl)-2...)
Show SMILES CN(C)C1=N[C@H]2[C@H](O[C@H](CNC3CC3)[C@@H](O)[C@@H]2O)S1
Show InChI InChI=1S/C12H21N3O3S/c1-15(2)12-14-8-10(17)9(16)7(18-11(8)19-12)5-13-6-3-4-6/h6-11,13,16-17H,3-5H2,1-2H3/t7-,8-,9-,10-,11-/m1/s1
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6n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acet...


Citation and Details
More data for this
Ligand-Target Pair
Dihydrodipicolinate synthase-like, mitochondrial


(Homo sapiens)
BDBM267962
PNG
((3aR,5R,6S,7R,7aR)-2- (methylamino)-5-(((tetrahydr...)
Show SMILES CNC1=N[C@H]2[C@H](O[C@H](CNC3CCOCC3)[C@@H](O)[C@@H]2O)S1
Show InChI InChI=1S/C13H23N3O4S/c1-14-13-16-9-11(18)10(17)8(20-12(9)21-13)6-15-7-2-4-19-5-3-7/h7-12,15,17-18H,2-6H2,1H3,(H,14,16)/t8-,9-,10-,11-,12-/m1/s1
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6.5n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acet...


Citation and Details
More data for this
Ligand-Target Pair
Dihydrodipicolinate synthase-like, mitochondrial


(Homo sapiens)
BDBM267966
PNG
((3aR,5R,6S,7R,7aR)-5-(((1H-pyrazol- 3-yl)amino)met...)
Show SMILES CNC1=N[C@H]2[C@H](O[C@H](CNc3cc[nH]n3)[C@@H](O)[C@@H]2O)S1
Show InChI InChI=1S/C11H17N5O3S/c1-12-11-15-7-9(18)8(17)5(19-10(7)20-11)4-13-6-2-3-14-16-6/h2-3,5,7-10,17-18H,4H2,1H3,(H,12,15)(H2,13,14,16)/t5-,7-,8-,9-,10-/m1/s1
PDB

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6.80n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acet...


Citation and Details
More data for this
Ligand-Target Pair
Dihydrodipicolinate synthase-like, mitochondrial


(Homo sapiens)
BDBM267948
PNG
((3aR,5R,6S,7R,7aR)-5- ((cyclohexylamino)methyl)-2-...)
Show SMILES CNC1=N[C@H]2[C@H](O[C@H](CNC3CCCCC3)[C@@H](O)[C@@H]2O)S1
Show InChI InChI=1S/C14H25N3O3S/c1-15-14-17-10-12(19)11(18)9(20-13(10)21-14)7-16-8-5-3-2-4-6-8/h8-13,16,18-19H,2-7H2,1H3,(H,15,17)/t9-,10-,11-,12-,13-/m1/s1
PDB

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9.30n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acet...


Citation and Details
More data for this
Ligand-Target Pair
Dihydrodipicolinate synthase-like, mitochondrial


(Homo sapiens)
BDBM267784
PNG
(((3aR,5R,6S,7R,7aR)-6,7-dihydroxy- 2-(methylamino)...)
Show SMILES CNC1=N[C@H]2[C@H](O[C@H](COC(=O)N(C)C)[C@@H](O)[C@@H]2O)S1
Show InChI InChI=1S/C11H19N3O5S/c1-12-10-13-6-8(16)7(15)5(19-9(6)20-10)4-18-11(17)14(2)3/h5-9,15-16H,4H2,1-3H3,(H,12,13)/t5-,6-,7-,8-,9-/m1/s1
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9.90n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acet...


Citation and Details
More data for this
Ligand-Target Pair
Dihydrodipicolinate synthase-like, mitochondrial


(Homo sapiens)
BDBM267968
PNG
((3aR,5R,6S,7R,7aR)-5 (aminomethyl)-2-(ethylamino)-...)
Show SMILES CCNC1=N[C@H]2[C@H](O[C@H](CN)[C@@H](O)[C@@H]2O)S1
Show InChI InChI=1S/C9H17N3O3S/c1-2-11-9-12-5-7(14)6(13)4(3-10)15-8(5)16-9/h4-8,13-14H,2-3,10H2,1H3,(H,11,12)/t4-,5-,6-,7-,8-/m1/s1
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11n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acet...


Citation and Details
More data for this
Ligand-Target Pair
Dihydrodipicolinate synthase-like, mitochondrial


(Homo sapiens)
BDBM267967
PNG
((3aR,5R,6S,7R,7aR)-5-(((4- fluorobenzyl)oxy)methyl...)
Show SMILES CNC1=N[C@H]2[C@H](O[C@H](COCc3ccc(F)cc3)[C@@H](O)[C@@H]2O)S1
Show InChI InChI=1S/C15H19FN2O4S/c1-17-15-18-11-13(20)12(19)10(22-14(11)23-15)7-21-6-8-2-4-9(16)5-3-8/h2-5,10-14,19-20H,6-7H2,1H3,(H,17,18)/t10-,11-,12-,13-,14-/m1/s1
PDB

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25n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acet...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%