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Compile Data Set for Download or QSAR

Found 30 hits with Last Name = 'van dorsselaer' and Initial = 'v'   
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
Ornithine decarboxylase


(Rattus norvegicus)
BDBM50028200
PNG
(2,5-Diamino-2-methyl-pent-3-enoic acid | CHEMBL400...)
Show SMILES CC(N)(\C=C\CN)C(O)=O
Show InChI InChI=1S/C6H12N2O2/c1-6(8,5(9)10)3-2-4-7/h2-3H,4,7-8H2,1H3,(H,9,10)/b3-2+
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2.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The apparent dissociation constant for irreversible inhibition of rat liver ornithine decarboxylase (ODC)


J Med Chem 26: 1551-6 (1983)


BindingDB Entry DOI: 10.7270/Q2X9299M
More data for this
Ligand-Target Pair
Ornithine decarboxylase


(Rattus norvegicus)
BDBM50028199
PNG
(2,5-Diamino-2-fluoromethyl-pent-3-enoic acid | CHE...)
Show SMILES NC\C=C\C(N)(CF)C(O)=O
Show InChI InChI=1S/C6H11FN2O2/c7-4-6(9,5(10)11)2-1-3-8/h1-2H,3-4,8-9H2,(H,10,11)/b2-1+
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2.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The apparent dissociation constant for irreversible inhibition of rat liver ornithine decarboxylase (ODC)


J Med Chem 26: 1551-6 (1983)


BindingDB Entry DOI: 10.7270/Q2X9299M
More data for this
Ligand-Target Pair
Ornithine decarboxylase


(Rattus norvegicus)
BDBM50009841
PNG
(CHEMBL3247544)
Show SMILES NC\C=C\C(N)C(O)=O
Show InChI InChI=1S/C5H10N2O2/c6-3-1-2-4(7)5(8)9/h1-2,4H,3,6-7H2,(H,8,9)/b2-1+
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4.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat liver ornithine decarboxylase


J Med Chem 21: 50-5 (1978)


BindingDB Entry DOI: 10.7270/Q2BR8TQP
More data for this
Ligand-Target Pair
Ornithine decarboxylase


(Rattus norvegicus)
BDBM50009922
PNG
(CHEMBL3247533)
Show SMILES Cl.C[C@](N)(CCCN)C(O)=O |r|
Show InChI InChI=1S/C6H14N2O2.ClH/c1-6(8,5(9)10)3-2-4-7;/h2-4,7-8H2,1H3,(H,9,10);1H/t6-;/m0./s1
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1.90E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of rat liver ornithine decarboxylase using DL-[1-14C]ornithine as substrate after 1 hr by dixon plot analysis


J Med Chem 21: 50-5 (1978)


BindingDB Entry DOI: 10.7270/Q2BR8TQP
More data for this
Ligand-Target Pair
Ornithine decarboxylase


(Bos taurus)
BDBM50009922
PNG
(CHEMBL3247533)
Show SMILES Cl.C[C@](N)(CCCN)C(O)=O |r|
Show InChI InChI=1S/C6H14N2O2.ClH/c1-6(8,5(9)10)3-2-4-7;/h2-4,7-8H2,1H3,(H,9,10);1H/t6-;/m0./s1
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2.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of bull prostate ornithine decarboxylase using DL-[1-14C]ornithine as substrate after 1 hr by dixon plot analysis


J Med Chem 21: 50-5 (1978)


BindingDB Entry DOI: 10.7270/Q2BR8TQP
More data for this
Ligand-Target Pair
Ornithine decarboxylase


(Rattus norvegicus)
BDBM50009922
PNG
(CHEMBL3247533)
Show SMILES Cl.C[C@](N)(CCCN)C(O)=O |r|
Show InChI InChI=1S/C6H14N2O2.ClH/c1-6(8,5(9)10)3-2-4-7;/h2-4,7-8H2,1H3,(H,9,10);1H/t6-;/m0./s1
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2.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of ornithine decarboxylase in rat HTC cells using DL-[1-14C]ornithine as substrate after 1 hr by dixon plot analysis


J Med Chem 21: 50-5 (1978)


BindingDB Entry DOI: 10.7270/Q2BR8TQP
More data for this
Ligand-Target Pair
Ornithine decarboxylase


(Rattus norvegicus)
BDBM50028194
PNG
(5,5-Difluoro-pentane-1,4-diamine | CHEMBL39264)
Show SMILES NCCCC(N)C(F)F
Show InChI InChI=1S/C5H12F2N2/c6-5(7)4(9)2-1-3-8/h4-5H,1-3,8-9H2
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3.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The apparent dissociation constant for irreversible inhibition of rat liver ornithine decarboxylase (ODC)


J Med Chem 26: 1551-6 (1983)


BindingDB Entry DOI: 10.7270/Q2X9299M
More data for this
Ligand-Target Pair
Ornithine decarboxylase


(Rattus norvegicus)
BDBM50028198
PNG
(2,5-Diamino-2-difluoromethyl-pent-3-enoic acid | C...)
Show SMILES NC\C=C\C(N)(C(F)F)C(O)=O
Show InChI InChI=1S/C6H10F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h1-2,4H,3,9-10H2,(H,11,12)/b2-1+
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3.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The apparent dissociation constant for irreversible inhibition of rat liver ornithine decarboxylase (ODC)


J Med Chem 26: 1551-6 (1983)


BindingDB Entry DOI: 10.7270/Q2X9299M
More data for this
Ligand-Target Pair
Ornithine decarboxylase


(Rattus norvegicus)
BDBM50028197
PNG
(2-(difluoromethyl)ornithine | CHEMBL830 | EFLORNIT...)
Show SMILES NCCCC(N)(C(F)F)C(O)=O
Show InChI InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)
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3.90E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The apparent dissociation constant for irreversible inhibition of rat liver ornithine decarboxylase (ODC)


J Med Chem 26: 1551-6 (1983)


BindingDB Entry DOI: 10.7270/Q2X9299M
More data for this
Ligand-Target Pair
Ornithine decarboxylase


(Rattus norvegicus)
BDBM50028201
PNG
(2,5-Diamino-2-methyl-pentanoic acid | CHEMBL36743)
Show SMILES CC(N)(CCCN)C(O)=O
Show InChI InChI=1S/C6H14N2O2/c1-6(8,5(9)10)3-2-4-7/h2-4,7-8H2,1H3,(H,9,10)
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4.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of rat liver ornithine decarboxylase using DL-[1-14C]ornithine as substrate after 1 hr by dixon plot analysis


J Med Chem 21: 50-5 (1978)


BindingDB Entry DOI: 10.7270/Q2BR8TQP
More data for this
Ligand-Target Pair
Ornithine decarboxylase


(Rattus norvegicus)
BDBM50028201
PNG
(2,5-Diamino-2-methyl-pentanoic acid | CHEMBL36743)
Show SMILES CC(N)(CCCN)C(O)=O
Show InChI InChI=1S/C6H14N2O2/c1-6(8,5(9)10)3-2-4-7/h2-4,7-8H2,1H3,(H,9,10)
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4.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The apparent dissociation constant for irreversible inhibition of rat liver ornithine decarboxylase (ODC)


J Med Chem 26: 1551-6 (1983)


BindingDB Entry DOI: 10.7270/Q2X9299M
More data for this
Ligand-Target Pair
Ornithine decarboxylase


(Rattus norvegicus)
BDBM50028201
PNG
(2,5-Diamino-2-methyl-pentanoic acid | CHEMBL36743)
Show SMILES CC(N)(CCCN)C(O)=O
Show InChI InChI=1S/C6H14N2O2/c1-6(8,5(9)10)3-2-4-7/h2-4,7-8H2,1H3,(H,9,10)
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4.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of ornithine decarboxylase in rat HTC cells using DL-[1-14C]ornithine as substrate after 1 hr by dixon plot analysis


J Med Chem 21: 50-5 (1978)


BindingDB Entry DOI: 10.7270/Q2BR8TQP
More data for this
Ligand-Target Pair
Ornithine decarboxylase


(Rattus norvegicus)
BDBM50028193
PNG
(5-Fluoro-pent-2-ene-1,4-diamine | CHEMBL288059)
Show SMILES NC\C=C\C(N)CF
Show InChI InChI=1S/C5H11FN2/c6-4-5(8)2-1-3-7/h1-2,5H,3-4,7-8H2/b2-1+
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4.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The apparent dissociation constant for irreversible inhibition of rat liver ornithine decarboxylase (ODC)


J Med Chem 26: 1551-6 (1983)


BindingDB Entry DOI: 10.7270/Q2X9299M
More data for this
Ligand-Target Pair
Ornithine decarboxylase


(Rattus norvegicus)
BDBM50028195
PNG
(5-Fluoro-pentane-1,4-diamine | CHEMBL290500)
Show SMILES NCCCC(N)CF
Show InChI InChI=1S/C5H13FN2/c6-4-5(8)2-1-3-7/h5H,1-4,7-8H2
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5.60E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The apparent dissociation constant for irreversible inhibition of rat liver ornithine decarboxylase (ODC)


J Med Chem 26: 1551-6 (1983)


BindingDB Entry DOI: 10.7270/Q2X9299M
More data for this
Ligand-Target Pair
Ornithine decarboxylase


(Rattus norvegicus)
BDBM50028196
PNG
(5,5-Difluoro-pent-2-ene-1,4-diamine | CHEMBL41597)
Show SMILES NC\C=C\C(N)C(F)F
Show InChI InChI=1S/C5H10F2N2/c6-5(7)4(9)2-1-3-8/h1-2,4-5H,3,8-9H2/b2-1+
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6.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The apparent dissociation constant for irreversible inhibition of rat liver ornithine decarboxylase (ODC)


J Med Chem 26: 1551-6 (1983)


BindingDB Entry DOI: 10.7270/Q2X9299M
More data for this
Ligand-Target Pair
Ornithine decarboxylase


(Rattus norvegicus)
BDBM50009924
PNG
(CHEMBL3247542)
Show SMILES N[C@H]1CC[C@@](N)(CC1)C(O)=O |r,wU:4.8,wD:1.0,(19.99,-29.56,;19.99,-28.02,;21.32,-27.25,;21.32,-25.71,;19.99,-24.94,;20.74,-23.6,;18.66,-25.71,;18.66,-27.25,;19.19,-23.6,;17.65,-23.63,;19.93,-22.26,)|
Show InChI InChI=1S/C7H14N2O2/c8-5-1-3-7(9,4-2-5)6(10)11/h5H,1-4,8-9H2,(H,10,11)/t5-,7+
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7.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of ornithine decarboxylase in rat HTC cells using DL-[1-14C]ornithine as substrate after 1 hr by dixon plot analysis


J Med Chem 21: 50-5 (1978)


BindingDB Entry DOI: 10.7270/Q2BR8TQP
More data for this
Ligand-Target Pair
Ornithine decarboxylase


(Bos taurus)
BDBM50009740
PNG
(CHEMBL3247539)
Show SMILES Cl.NCCCC(N)c1nnn[nH]1
Show InChI InChI=1S/C5H12N6.ClH/c6-3-1-2-4(7)5-8-10-11-9-5;/h4H,1-3,6-7H2,(H,8,9,10,11);1H
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7.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of bull prostate ornithine decarboxylase using DL-[1-14C]ornithine as substrate after 1 hr by dixon plot analysis


J Med Chem 21: 50-5 (1978)


BindingDB Entry DOI: 10.7270/Q2BR8TQP
More data for this
Ligand-Target Pair
Ornithine decarboxylase


(Rattus norvegicus)
BDBM50009924
PNG
(CHEMBL3247542)
Show SMILES N[C@H]1CC[C@@](N)(CC1)C(O)=O |r,wU:4.8,wD:1.0,(19.99,-29.56,;19.99,-28.02,;21.32,-27.25,;21.32,-25.71,;19.99,-24.94,;20.74,-23.6,;18.66,-25.71,;18.66,-27.25,;19.19,-23.6,;17.65,-23.63,;19.93,-22.26,)|
Show InChI InChI=1S/C7H14N2O2/c8-5-1-3-7(9,4-2-5)6(10)11/h5H,1-4,8-9H2,(H,10,11)/t5-,7+
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7.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of rat liver ornithine decarboxylase using DL-[1-14C]ornithine as substrate after 1 hr by dixon plot analysis


J Med Chem 21: 50-5 (1978)


BindingDB Entry DOI: 10.7270/Q2BR8TQP
More data for this
Ligand-Target Pair
Ornithine decarboxylase


(Rattus norvegicus)
BDBM50020273
PNG
(2,5-Diamino-2-fluoromethyl-pentanoic acid | CHEMBL...)
Show SMILES NCCCC(N)(CF)C(O)=O
Show InChI InChI=1S/C6H13FN2O2/c7-4-6(9,5(10)11)2-1-3-8/h1-4,8-9H2,(H,10,11)
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7.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The apparent dissociation constant for irreversible inhibition of rat liver ornithine decarboxylase (ODC)


J Med Chem 26: 1551-6 (1983)


BindingDB Entry DOI: 10.7270/Q2X9299M
More data for this
Ligand-Target Pair
Ornithine decarboxylase


(Rattus norvegicus)
BDBM50009740
PNG
(CHEMBL3247539)
Show SMILES Cl.NCCCC(N)c1nnn[nH]1
Show InChI InChI=1S/C5H12N6.ClH/c6-3-1-2-4(7)5-8-10-11-9-5;/h4H,1-3,6-7H2,(H,8,9,10,11);1H
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1.20E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of rat liver ornithine decarboxylase using DL-[1-14C]ornithine as substrate after 1 hr by dixon plot analysis


J Med Chem 21: 50-5 (1978)


BindingDB Entry DOI: 10.7270/Q2BR8TQP
More data for this
Ligand-Target Pair
Ornithine decarboxylase


(Rattus norvegicus)
BDBM50009740
PNG
(CHEMBL3247539)
Show SMILES Cl.NCCCC(N)c1nnn[nH]1
Show InChI InChI=1S/C5H12N6.ClH/c6-3-1-2-4(7)5-8-10-11-9-5;/h4H,1-3,6-7H2,(H,8,9,10,11);1H
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1.40E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of ornithine decarboxylase in rat HTC cells using DL-[1-14C]ornithine as substrate after 1 hr by dixon plot analysis


J Med Chem 21: 50-5 (1978)


BindingDB Entry DOI: 10.7270/Q2BR8TQP
More data for this
Ligand-Target Pair
Ornithine decarboxylase


(Rattus norvegicus)
BDBM50009921
PNG
(CHEMBL3247530)
Show SMILES CNCCCC(C)(N)C(O)=O
Show InChI InChI=1S/C7H16N2O2/c1-7(8,6(10)11)4-3-5-9-2/h9H,3-5,8H2,1-2H3,(H,10,11)
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5.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of rat liver ornithine decarboxylase using DL-[1-14C]ornithine as substrate after 1 hr by dixon plot analysis


J Med Chem 21: 50-5 (1978)


BindingDB Entry DOI: 10.7270/Q2BR8TQP
More data for this
Ligand-Target Pair
Ornithine decarboxylase


(Bos taurus)
BDBM50009921
PNG
(CHEMBL3247530)
Show SMILES CNCCCC(C)(N)C(O)=O
Show InChI InChI=1S/C7H16N2O2/c1-7(8,6(10)11)4-3-5-9-2/h9H,3-5,8H2,1-2H3,(H,10,11)
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7.40E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of bull prostate ornithine decarboxylase using DL-[1-14C]ornithine as substrate after 1 hr by dixon plot analysis


J Med Chem 21: 50-5 (1978)


BindingDB Entry DOI: 10.7270/Q2BR8TQP
More data for this
Ligand-Target Pair
Ornithine decarboxylase


(Bos taurus)
BDBM50009923
PNG
(CHEMBL3247534)
Show SMILES Cl.C[C@@](N)(CCCN)C(O)=O |r|
Show InChI InChI=1S/C6H14N2O2.ClH/c1-6(8,5(9)10)3-2-4-7;/h2-4,7-8H2,1H3,(H,9,10);1H/t6-;/m1./s1
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1.00E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of bull prostate ornithine decarboxylase using DL-[1-14C]ornithine as substrate after 1 hr by dixon plot analysis


J Med Chem 21: 50-5 (1978)


BindingDB Entry DOI: 10.7270/Q2BR8TQP
More data for this
Ligand-Target Pair
Ornithine decarboxylase


(Rattus norvegicus)
BDBM50009923
PNG
(CHEMBL3247534)
Show SMILES Cl.C[C@@](N)(CCCN)C(O)=O |r|
Show InChI InChI=1S/C6H14N2O2.ClH/c1-6(8,5(9)10)3-2-4-7;/h2-4,7-8H2,1H3,(H,9,10);1H/t6-;/m1./s1
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PubMed
1.05E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of ornithine decarboxylase in rat HTC cells using DL-[1-14C]ornithine as substrate after 1 hr by dixon plot analysis


J Med Chem 21: 50-5 (1978)


BindingDB Entry DOI: 10.7270/Q2BR8TQP
More data for this
Ligand-Target Pair
Ornithine decarboxylase


(Rattus norvegicus)
BDBM50009923
PNG
(CHEMBL3247534)
Show SMILES Cl.C[C@@](N)(CCCN)C(O)=O |r|
Show InChI InChI=1S/C6H14N2O2.ClH/c1-6(8,5(9)10)3-2-4-7;/h2-4,7-8H2,1H3,(H,9,10);1H/t6-;/m1./s1
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PubMed
1.30E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of rat liver ornithine decarboxylase using DL-[1-14C]ornithine as substrate after 1 hr by dixon plot analysis


J Med Chem 21: 50-5 (1978)


BindingDB Entry DOI: 10.7270/Q2BR8TQP
More data for this
Ligand-Target Pair
Ornithine decarboxylase


(Rattus norvegicus)
BDBM50009353
PNG
(1,5,10-triazadecane | 4-azaoctamethylenediamine | ...)
Show SMILES NCCCCNCCCN
Show InChI InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2
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2.70E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of Sprague-Dawley rat prostate ornithine decarboxylase using DL-[1-14C]ornithine as substrate by liquid scintillation counting...


J Med Chem 21: 50-5 (1978)


BindingDB Entry DOI: 10.7270/Q2BR8TQP
More data for this
Ligand-Target Pair
Ornithine decarboxylase


(Bos taurus)
BDBM50009353
PNG
(1,5,10-triazadecane | 4-azaoctamethylenediamine | ...)
Show SMILES NCCCCNCCCN
Show InChI InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2
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PubMed
3.00E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of bull prostate ornithine decarboxylase using DL-[1-14C]ornithine as substrate after 1 hr by dixon plot analysis


J Med Chem 21: 50-5 (1978)


BindingDB Entry DOI: 10.7270/Q2BR8TQP
More data for this
Ligand-Target Pair
Ornithine decarboxylase


(Bos taurus)
BDBM50009925
PNG
(CHEMBL3247532)
Show SMILES CC(N)(CCCNCCCN)C(O)=O
Show InChI InChI=1S/C9H21N3O2/c1-9(11,8(13)14)4-2-6-12-7-3-5-10/h12H,2-7,10-11H2,1H3,(H,13,14)
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4.40E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of bull prostate ornithine decarboxylase using DL-[1-14C]ornithine as substrate after 1 hr by dixon plot analysis


J Med Chem 21: 50-5 (1978)


BindingDB Entry DOI: 10.7270/Q2BR8TQP
More data for this
Ligand-Target Pair
Ornithine decarboxylase


(Bos taurus)
BDBM50009925
PNG
(CHEMBL3247532)
Show SMILES CC(N)(CCCNCCCN)C(O)=O
Show InChI InChI=1S/C9H21N3O2/c1-9(11,8(13)14)4-2-6-12-7-3-5-10/h12H,2-7,10-11H2,1H3,(H,13,14)
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PubMed
5.50E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of bull prostate ornithine decarboxylase using DL-[1-14C]ornithine as substrate after 1 hr by dixon plot analysis


J Med Chem 21: 50-5 (1978)


BindingDB Entry DOI: 10.7270/Q2BR8TQP
More data for this
Ligand-Target Pair