Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with Target = 'Dihydrodipicolinate synthase-like, mitochondrial'   

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
4-hydroxy-2-oxoglutarate aldolase, mitochondrial (Homo sapiens (Human))	BDBM267947 ((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 |r,t:2| 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	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.600	-52.6	n/a	n/a	n/a	n/a	n/a	7.0	25
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...				US Patent US9718854 (2017) BindingDB Entry DOI: 10.7270/Q2CJ8GH3
					More data for this Ligand-Target Pair
4-hydroxy-2-oxoglutarate aldolase, mitochondrial (Homo sapiens (Human))	BDBM267944 ((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 |r,t:2| 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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.30	-50.7	n/a	n/a	n/a	n/a	n/a	7.0	25
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...				US Patent US9718854 (2017) BindingDB Entry DOI: 10.7270/Q2CJ8GH3
					More data for this Ligand-Target Pair
4-hydroxy-2-oxoglutarate aldolase, mitochondrial (Homo sapiens (Human))	BDBM267946 ((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 |r,t:2| 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	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.40	-50.5	n/a	n/a	n/a	n/a	n/a	7.0	25
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...				US Patent US9718854 (2017) BindingDB Entry DOI: 10.7270/Q2CJ8GH3
					More data for this Ligand-Target Pair
4-hydroxy-2-oxoglutarate aldolase, mitochondrial (Homo sapiens (Human))	BDBM267936 (((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 |r,c:15| 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	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.70	-48.9	n/a	n/a	n/a	n/a	n/a	7.0	25
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...				US Patent US9718854 (2017) BindingDB Entry DOI: 10.7270/Q2CJ8GH3
					More data for this Ligand-Target Pair
4-hydroxy-2-oxoglutarate aldolase, mitochondrial (Homo sapiens (Human))	BDBM267938 ((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 |r,c:9| 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	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.80	-48.8	n/a	n/a	n/a	n/a	n/a	7.0	25
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...				US Patent US9718854 (2017) BindingDB Entry DOI: 10.7270/Q2CJ8GH3
					More data for this Ligand-Target Pair
4-hydroxy-2-oxoglutarate aldolase, mitochondrial (Homo sapiens (Human))	BDBM267964 ((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 |r,t:2| 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	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	-48.6	n/a	n/a	n/a	n/a	n/a	7.0	25
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...				US Patent US9718854 (2017) BindingDB Entry DOI: 10.7270/Q2CJ8GH3
					More data for this Ligand-Target Pair
4-hydroxy-2-oxoglutarate aldolase, mitochondrial (Homo sapiens (Human))	BDBM267943 ((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 |r,t:2| 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	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.30	-48.4	n/a	n/a	n/a	n/a	n/a	7.0	25
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...				US Patent US9718854 (2017) BindingDB Entry DOI: 10.7270/Q2CJ8GH3
					More data for this Ligand-Target Pair
4-hydroxy-2-oxoglutarate aldolase, mitochondrial (Homo sapiens (Human))	BDBM267941 ((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 |r,c:10| 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	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.70	-48.1	n/a	n/a	n/a	n/a	n/a	7.0	25
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...				US Patent US9718854 (2017) BindingDB Entry DOI: 10.7270/Q2CJ8GH3
					More data for this Ligand-Target Pair
4-hydroxy-2-oxoglutarate aldolase, mitochondrial (Homo sapiens (Human))	BDBM267942 ((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 |r,t:2| 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	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.80	-48.1	n/a	n/a	n/a	n/a	n/a	7.0	25
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...				US Patent US9718854 (2017) BindingDB Entry DOI: 10.7270/Q2CJ8GH3
					More data for this Ligand-Target Pair
4-hydroxy-2-oxoglutarate aldolase, mitochondrial (Homo sapiens (Human))	BDBM267965 (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 |r,t:2| 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	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.40	-47.2	n/a	n/a	n/a	n/a	n/a	7.0	25
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...				US Patent US9718854 (2017) BindingDB Entry DOI: 10.7270/Q2CJ8GH3
					More data for this Ligand-Target Pair
4-hydroxy-2-oxoglutarate aldolase, mitochondrial (Homo sapiens (Human))	BDBM267937 ((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 |r,t:3| 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	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.40	-47.2	n/a	n/a	n/a	n/a	n/a	7.0	25
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...				US Patent US9718854 (2017) BindingDB Entry DOI: 10.7270/Q2CJ8GH3
					More data for this Ligand-Target Pair
4-hydroxy-2-oxoglutarate aldolase, mitochondrial (Homo sapiens (Human))	BDBM267939 ((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 |r,t:3| 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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.60	-47.1	n/a	n/a	n/a	n/a	n/a	7.0	25
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...				US Patent US9718854 (2017) BindingDB Entry DOI: 10.7270/Q2CJ8GH3
					More data for this Ligand-Target Pair
4-hydroxy-2-oxoglutarate aldolase, mitochondrial (Homo sapiens (Human))	BDBM267945 ((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 |r,t:3| 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	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6	-46.9	n/a	n/a	n/a	n/a	n/a	7.0	25
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...				US Patent US9718854 (2017) BindingDB Entry DOI: 10.7270/Q2CJ8GH3
					More data for this Ligand-Target Pair
4-hydroxy-2-oxoglutarate aldolase, mitochondrial (Homo sapiens (Human))	BDBM267963 ((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 |r,t:2| 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	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6	-46.9	n/a	n/a	n/a	n/a	n/a	7.0	25
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...				US Patent US9718854 (2017) BindingDB Entry DOI: 10.7270/Q2CJ8GH3
					More data for this Ligand-Target Pair
4-hydroxy-2-oxoglutarate aldolase, mitochondrial (Homo sapiens (Human))	BDBM267962 ((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 |r,t:2| 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	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.5	-46.7	n/a	n/a	n/a	n/a	n/a	7.0	25
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...				US Patent US9718854 (2017) BindingDB Entry DOI: 10.7270/Q2CJ8GH3
					More data for this Ligand-Target Pair
4-hydroxy-2-oxoglutarate aldolase, mitochondrial (Homo sapiens (Human))	BDBM267966 ((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 |r,t:2| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.80	-46.6	n/a	n/a	n/a	n/a	n/a	7.0	25
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...				US Patent US9718854 (2017) BindingDB Entry DOI: 10.7270/Q2CJ8GH3
					More data for this Ligand-Target Pair
4-hydroxy-2-oxoglutarate aldolase, mitochondrial (Homo sapiens (Human))	BDBM267948 ((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 |r,t:2| 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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9.30	-45.8	n/a	n/a	n/a	n/a	n/a	7.0	25
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...				US Patent US9718854 (2017) BindingDB Entry DOI: 10.7270/Q2CJ8GH3
					More data for this Ligand-Target Pair
4-hydroxy-2-oxoglutarate aldolase, mitochondrial (Homo sapiens (Human))	BDBM267784 (((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 |r,t:2| 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	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9.90	-45.7	n/a	n/a	n/a	n/a	n/a	7.0	25
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...				US Patent US9718854 (2017) BindingDB Entry DOI: 10.7270/Q2CJ8GH3
					More data for this Ligand-Target Pair
4-hydroxy-2-oxoglutarate aldolase, mitochondrial (Homo sapiens (Human))	BDBM267968 ((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 |r,t:3| 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	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11	-45.4	n/a	n/a	n/a	n/a	n/a	7.0	25
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...				US Patent US9718854 (2017) BindingDB Entry DOI: 10.7270/Q2CJ8GH3
					More data for this Ligand-Target Pair
4-hydroxy-2-oxoglutarate aldolase, mitochondrial (Homo sapiens (Human))	BDBM267967 ((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 |r,t:2| 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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	25	-43.4	n/a	n/a	n/a	n/a	n/a	7.0	25
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...				US Patent US9718854 (2017) BindingDB Entry DOI: 10.7270/Q2CJ8GH3
					More data for this Ligand-Target Pair
4-hydroxy-2-oxoglutarate aldolase, mitochondrial (Homo sapiens (Human))	BDBM50160721 (2-Oxo-heptanedioic acid | 2-oxoheptanedioic acid |...) Show SMILES OC(=O)CCCCC(=O)C(O)=O Show InChI InChI=1S/C7H10O5/c8-5(7(11)12)3-1-2-4-6(9)10/h1-4H2,(H,9,10)(H,11,12)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Melbourne Curated by ChEMBL					Assay Description Inhibition of dihydrodipicolinate synthase				Bioorg Med Chem Lett 18: 460-3 (2008) Article DOI: 10.1016/j.bmcl.2007.11.108 BindingDB Entry DOI: 10.7270/Q2QZ29QP
					More data for this Ligand-Target Pair
4-hydroxy-2-oxoglutarate aldolase, mitochondrial (Homo sapiens (Human))	BDBM50229870 (4-oxo-1,4-dihydropyridine-2,6-dicarboxylic acid | ...) Show SMILES OC(=O)c1cc(O)cc(n1)C(O)=O Show InChI InChI=1S/C7H5NO5/c9-3-1-4(6(10)11)8-5(2-3)7(12)13/h1-2H,(H,8,9)(H,10,11)(H,12,13)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Melbourne Curated by ChEMBL					Assay Description Inhibition of dihydrodipicolinate synthase				Bioorg Med Chem Lett 18: 460-3 (2008) Article DOI: 10.1016/j.bmcl.2007.11.108 BindingDB Entry DOI: 10.7270/Q2QZ29QP
					More data for this Ligand-Target Pair
4-hydroxy-2-oxoglutarate aldolase, mitochondrial (Homo sapiens (Human))	BDBM50411597 (CHEMBL403480) Show SMILES COC(=O)C(N=O)c1cccc(c1)C(N=O)C(=O)OC Show InChI InChI=1S/C12H12N2O6/c1-19-11(15)9(13-17)7-4-3-5-8(6-7)10(14-18)12(16)20-2/h3-6,9-10H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Melbourne Curated by ChEMBL					Assay Description Inhibition of dihydrodipicolinate synthase				Bioorg Med Chem Lett 18: 460-3 (2008) Article DOI: 10.1016/j.bmcl.2007.11.108 BindingDB Entry DOI: 10.7270/Q2QZ29QP
					More data for this Ligand-Target Pair
4-hydroxy-2-oxoglutarate aldolase, mitochondrial (Homo sapiens (Human))	BDBM50411596 (CHEMBL253062) Show SMILES OC(=O)C(=O)c1cccc(c1)C(=O)C(O)=O Show InChI InChI=1S/C10H6O6/c11-7(9(13)14)5-2-1-3-6(4-5)8(12)10(15)16/h1-4H,(H,13,14)(H,15,16)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.96E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Melbourne Curated by ChEMBL					Assay Description Inhibition of dihydrodipicolinate synthase				Bioorg Med Chem Lett 18: 460-3 (2008) Article DOI: 10.1016/j.bmcl.2007.11.108 BindingDB Entry DOI: 10.7270/Q2QZ29QP
					More data for this Ligand-Target Pair
4-hydroxy-2-oxoglutarate aldolase, mitochondrial (Homo sapiens (Human))	BDBM26116 (CHEMBL284104 | Dipicolinate | pyridine carboxylate...) Show SMILES OC(=O)c1cccc(n1)C(O)=O Show InChI InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.10E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Melbourne Curated by ChEMBL					Assay Description Inhibition of dihydrodipicolinate synthase				Bioorg Med Chem Lett 18: 460-3 (2008) Article DOI: 10.1016/j.bmcl.2007.11.108 BindingDB Entry DOI: 10.7270/Q2QZ29QP
					More data for this Ligand-Target Pair