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Compile Data Set for Download or QSAR

Found 31 hits Enz. Inhib. hit(s) with Target = 'Dihydropteridine reductase' AND taxid = 10116   
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
Dihydropteridine reductase


(Rattus norvegicus)
BDBM50025881
PNG
(4-(3,4-Dihydroxy-phenyl)-1-methyl-pyridinium; brom...)
Show SMILES C[n+]1ccc(cc1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C12H11NO2/c1-13-6-4-9(5-7-13)10-2-3-11(14)12(15)8-10/h2-8,15H,1H3/p+1
PDB
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1.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Noncompetitive Inhibitory activity against rat striatal synaptosomal DHPR enzyme


J Med Chem 28: 311-7 (1985)

More data for this
Ligand-Target Pair
Dihydropteridine reductase


(Rattus norvegicus)
BDBM50025878
PNG
(4-(1-Methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-benze...)
Show SMILES CN1CCC(=CC1)c1ccc(O)c(O)c1
Show InChI InChI=1S/C12H15NO2/c1-13-6-4-9(5-7-13)10-2-3-11(14)12(15)8-10/h2-4,8,14-15H,5-7H2,1H3
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3.30E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Noncompetitive Inhibitory activity against rat striatal synaptosomal DHPR enzyme


J Med Chem 28: 311-7 (1985)

More data for this
Ligand-Target Pair
Dihydropteridine reductase


(Rattus norvegicus)
BDBM50025880
PNG
(4-(1-Methyl-piperidin-4-yl)-benzene-1,2-diol | CHE...)
Show SMILES CN1CCC(CC1)c1ccc(O)c(O)c1
Show InChI InChI=1S/C12H17NO2/c1-13-6-4-9(5-7-13)10-2-3-11(14)12(15)8-10/h2-3,8-9,14-15H,4-7H2,1H3
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7.40E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Noncompetitive Inhibitory activity against rat striatal synaptosomal DHPR enzyme


J Med Chem 28: 311-7 (1985)

More data for this
Ligand-Target Pair
Dihydropteridine reductase


(Rattus norvegicus)
BDBM50405251
PNG
(CHEMBL324880)
Show SMILES CC(=O)N1CCC(=CC1)c1ccc(O)c(O)c1
Show InChI InChI=1S/C13H15NO3/c1-9(15)14-6-4-10(5-7-14)11-2-3-12(16)13(17)8-11/h2-4,8,16-17H,5-7H2,1H3
PDB
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n/an/a 250n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)


J Med Chem 28: 311-7 (1985)

More data for this
Ligand-Target Pair
Dihydropteridine reductase


(Rattus norvegicus)
BDBM50405258
PNG
(CHEMBL110377)
Show SMILES Oc1ccc(cc1O)-c1ccncc1
Show InChI InChI=1S/C11H9NO2/c13-10-2-1-9(7-11(10)14)8-3-5-12-6-4-8/h1-7,13-14H
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n/an/a 280n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)


J Med Chem 28: 311-7 (1985)

More data for this
Ligand-Target Pair
Dihydropteridine reductase


(Rattus norvegicus)
BDBM50025878
PNG
(4-(1-Methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-benze...)
Show SMILES CN1CCC(=CC1)c1ccc(O)c(O)c1
Show InChI InChI=1S/C12H15NO2/c1-13-6-4-9(5-7-13)10-2-3-11(14)12(15)8-10/h2-4,8,14-15H,5-7H2,1H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase using 10 uM qBH2 and 50 uM NADH assays


J Med Chem 28: 311-7 (1985)

More data for this
Ligand-Target Pair
Dihydropteridine reductase


(Rattus norvegicus)
BDBM50025881
PNG
(4-(3,4-Dihydroxy-phenyl)-1-methyl-pyridinium; brom...)
Show SMILES C[n+]1ccc(cc1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C12H11NO2/c1-13-6-4-9(5-7-13)10-2-3-11(14)12(15)8-10/h2-8,15H,1H3/p+1
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n/an/a 1.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)


J Med Chem 28: 311-7 (1985)

More data for this
Ligand-Target Pair
Dihydropteridine reductase


(Rattus norvegicus)
BDBM50405257
PNG
(CHEMBL105897)
Show SMILES Oc1ccc(cc1O)C1=CCNCC1
Show InChI InChI=1S/C11H13NO2/c13-10-2-1-9(7-11(10)14)8-3-5-12-6-4-8/h1-3,7,12-14H,4-6H2
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n/an/a 1.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)


J Med Chem 28: 311-7 (1985)

More data for this
Ligand-Target Pair
Dihydropteridine reductase


(Rattus norvegicus)
BDBM50025878
PNG
(4-(1-Methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-benze...)
Show SMILES CN1CCC(=CC1)c1ccc(O)c(O)c1
Show InChI InChI=1S/C12H15NO2/c1-13-6-4-9(5-7-13)10-2-3-11(14)12(15)8-10/h2-4,8,14-15H,5-7H2,1H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)


J Med Chem 28: 311-7 (1985)

More data for this
Ligand-Target Pair
Dihydropteridine reductase


(Rattus norvegicus)
BDBM50025879
PNG
(4-(1-Methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-pheno...)
Show SMILES CN1CCC(=CC1)c1ccc(O)cc1
Show InChI InChI=1S/C12H15NO/c1-13-8-6-11(7-9-13)10-2-4-12(14)5-3-10/h2-6,14H,7-9H2,1H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)


J Med Chem 28: 311-7 (1985)

More data for this
Ligand-Target Pair
Dihydropteridine reductase


(Rattus norvegicus)
BDBM50405247
PNG
(CHEMBL108679)
Show SMILES CC(=O)N1CCC(CC1)c1ccc(O)c(O)c1
Show InChI InChI=1S/C13H17NO3/c1-9(15)14-6-4-10(5-7-14)11-2-3-12(16)13(17)8-11/h2-3,8,10,16-17H,4-7H2,1H3
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n/an/a 3.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)


J Med Chem 28: 311-7 (1985)

More data for this
Ligand-Target Pair
Dihydropteridine reductase


(Rattus norvegicus)
BDBM50405242
PNG
(CHEMBL108787)
Show SMILES Oc1ccc(cc1)C1=CCNCC1
Show InChI InChI=1S/C11H13NO/c13-11-3-1-9(2-4-11)10-5-7-12-8-6-10/h1-5,12-13H,6-8H2
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n/an/a 3.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)


J Med Chem 28: 311-7 (1985)

More data for this
Ligand-Target Pair
Dihydropteridine reductase


(Rattus norvegicus)
BDBM50405246
PNG
(CHEMBL322323)
Show SMILES COc1cc(ccc1O)C1=CCN(C)CC1
Show InChI InChI=1S/C13H17NO2/c1-14-7-5-10(6-8-14)11-3-4-12(15)13(9-11)16-2/h3-5,9,15H,6-8H2,1-2H3
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n/an/a 5.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)


J Med Chem 28: 311-7 (1985)

More data for this
Ligand-Target Pair
Dihydropteridine reductase


(Rattus norvegicus)
BDBM50405255
PNG
(CHEMBL108496)
Show SMILES COc1cc(ccc1O)C1=CCNCC1
Show InChI InChI=1S/C12H15NO2/c1-15-12-8-10(2-3-11(12)14)9-4-6-13-7-5-9/h2-4,8,13-14H,5-7H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)


J Med Chem 28: 311-7 (1985)

More data for this
Ligand-Target Pair
Dihydropteridine reductase


(Rattus norvegicus)
BDBM50405245
PNG
(CHEMBL109076)
Show SMILES COc1cc(ccc1O)C1CCN(C)CC1
Show InChI InChI=1S/C13H19NO2/c1-14-7-5-10(6-8-14)11-3-4-12(15)13(9-11)16-2/h3-4,9-10,15H,5-8H2,1-2H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)


J Med Chem 28: 311-7 (1985)

More data for this
Ligand-Target Pair
Dihydropteridine reductase


(Rattus norvegicus)
BDBM50405254
PNG
(CHEMBL110602)
Show SMILES Oc1ccc(cc1O)C1CCNCC1
Show InChI InChI=1S/C11H15NO2/c13-10-2-1-9(7-11(10)14)8-3-5-12-6-4-8/h1-2,7-8,12-14H,3-6H2
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n/an/a 3.80E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)


J Med Chem 28: 311-7 (1985)

More data for this
Ligand-Target Pair
Dihydropteridine reductase


(Rattus norvegicus)
BDBM50405249
PNG
(CHEMBL108680)
Show SMILES COc1cc(ccc1O)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C14H19NO3/c1-10(16)15-7-5-11(6-8-15)12-3-4-13(17)14(9-12)18-2/h3-4,9,11,17H,5-8H2,1-2H3
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n/an/a 4.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)


J Med Chem 28: 311-7 (1985)

More data for this
Ligand-Target Pair
Dihydropteridine reductase


(Rattus norvegicus)
BDBM50025880
PNG
(4-(1-Methyl-piperidin-4-yl)-benzene-1,2-diol | CHE...)
Show SMILES CN1CCC(CC1)c1ccc(O)c(O)c1
Show InChI InChI=1S/C12H17NO2/c1-13-6-4-9(5-7-13)10-2-3-11(14)12(15)8-10/h2-3,8-9,14-15H,4-7H2,1H3
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n/an/a 6.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)


J Med Chem 28: 311-7 (1985)

More data for this
Ligand-Target Pair
Dihydropteridine reductase


(Rattus norvegicus)
BDBM50405253
PNG
(CHEMBL110621)
Show SMILES COc1cc(ccc1O)C1=CCN(CC1)C(C)=O
Show InChI InChI=1S/C14H17NO3/c1-10(16)15-7-5-11(6-8-15)12-3-4-13(17)14(9-12)18-2/h3-5,9,17H,6-8H2,1-2H3
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n/an/a 9.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)


J Med Chem 28: 311-7 (1985)

More data for this
Ligand-Target Pair
Dihydropteridine reductase


(Rattus norvegicus)
BDBM50121955
PNG
(4-Phenyl-pyridine | CHEMBL109074)
Show SMILES c1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C11H9N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-9H
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n/an/a 1.90E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)


J Med Chem 28: 311-7 (1985)

More data for this
Ligand-Target Pair
Dihydropteridine reductase


(Rattus norvegicus)
BDBM50405244
PNG
(CHEMBL110142)
Show SMILES COc1ccc(cc1OC)-c1ccncc1
Show InChI InChI=1S/C13H13NO2/c1-15-12-4-3-11(9-13(12)16-2)10-5-7-14-8-6-10/h3-9H,1-2H3
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n/an/a 2.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)


J Med Chem 28: 311-7 (1985)

More data for this
Ligand-Target Pair
Dihydropteridine reductase


(Rattus norvegicus)
BDBM50405250
PNG
(CHEMBL108466)
Show SMILES COc1ccc(cc1OC)C1=CCN(CC1)C(C)=O
Show InChI InChI=1S/C15H19NO3/c1-11(17)16-8-6-12(7-9-16)13-4-5-14(18-2)15(10-13)19-3/h4-6,10H,7-9H2,1-3H3
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n/an/a 2.30E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)


J Med Chem 28: 311-7 (1985)

More data for this
Ligand-Target Pair
Dihydropteridine reductase


(Rattus norvegicus)
BDBM81945
PNG
(CAS_39484 | CHEMBL105891 | CHEMBL108926 | CHEMBL27...)
Show SMILES C[n+]1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C12H12N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3/q+1
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n/an/a 3.40E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)


J Med Chem 28: 311-7 (1985)

More data for this
Ligand-Target Pair
Dihydropteridine reductase


(Rattus norvegicus)
BDBM50036712
PNG
(4-(4-Chloro-phenyl)-1,2,3,6-tetrahydro-pyridine | ...)
Show SMILES Clc1ccc(cc1)C1=CCNCC1
Show InChI InChI=1S/C11H12ClN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-5,13H,6-8H2
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n/an/a 4.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)


J Med Chem 28: 311-7 (1985)

More data for this
Ligand-Target Pair
Dihydropteridine reductase


(Rattus norvegicus)
BDBM50003599
PNG
(1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine | CHE...)
Show SMILES CN1CCC(=CC1)c1ccccc1
Show InChI InChI=1S/C12H15N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-7H,8-10H2,1H3
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n/an/a 4.60E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)


J Med Chem 28: 311-7 (1985)

More data for this
Ligand-Target Pair
Dihydropteridine reductase


(Rattus norvegicus)
BDBM50405243
PNG
(CHEMBL440702)
Show SMILES CN1CCC(=CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C12H14ClN/c1-14-8-6-11(7-9-14)10-2-4-12(13)5-3-10/h2-6H,7-9H2,1H3
PDB
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n/an/a 6.40E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)


J Med Chem 28: 311-7 (1985)

More data for this
Ligand-Target Pair
Dihydropteridine reductase


(Rattus norvegicus)
BDBM50036718
PNG
(4-Phenyl-1,2,3,6-tetrahydro-pyridine | 4-phenyl-1,...)
Show SMILES C1CC(=CCN1)c1ccccc1
Show InChI InChI=1S/C11H13N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-6,12H,7-9H2
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n/an/a 6.60E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)


J Med Chem 28: 311-7 (1985)

More data for this
Ligand-Target Pair
Dihydropteridine reductase


(Rattus norvegicus)
BDBM50405241
PNG
(CHEMBL106131)
Show SMILES C=CC[n+]1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C14H14N/c1-2-10-15-11-8-14(9-12-15)13-6-4-3-5-7-13/h2-9,11-12H,1,10H2/q+1
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n/an/a 7.40E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)


J Med Chem 28: 311-7 (1985)

More data for this
Ligand-Target Pair
Dihydropteridine reductase


(Rattus norvegicus)
BDBM50003599
PNG
(1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine | CHE...)
Show SMILES CN1CCC(=CC1)c1ccccc1
Show InChI InChI=1S/C12H15N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-7H,8-10H2,1H3
PDB
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n/an/a 8.40E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase using 10 uM qBH2 and 50 uM NADH assays


J Med Chem 28: 311-7 (1985)

More data for this
Ligand-Target Pair
Dihydropteridine reductase


(Rattus norvegicus)
BDBM81945
PNG
(CAS_39484 | CHEMBL105891 | CHEMBL108926 | CHEMBL27...)
Show SMILES C[n+]1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C12H12N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3/q+1
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n/an/a 1.20E+7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)


J Med Chem 28: 311-7 (1985)

More data for this
Ligand-Target Pair
Dihydropteridine reductase


(Rattus norvegicus)
BDBM50405256
PNG
(CHEMBL98417)
Show SMILES CN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C12H17N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
PDB
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n/an/a 1.20E+7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)


J Med Chem 28: 311-7 (1985)

More data for this
Ligand-Target Pair