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Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with Target = 'Ornithine decarboxylase' AND taxid = 9606   
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
Ornithine decarboxylase


(Homo sapiens)
BDBM50241692
PNG
((2S)-6-(gamma,gamma-dimethylallyl)-5,4'-dihydroxy-...)
Show SMILES COc1cc(ccc1O)[C@@H]1CC(=O)c2c(O)c(CC=C(C)C)c3OC(C)(C)C=Cc3c2O1
Show InChI InChI=1S/C26H28O6/c1-14(2)6-8-16-23(29)22-19(28)13-20(15-7-9-18(27)21(12-15)30-5)31-25(22)17-10-11-26(3,4)32-24(16)17/h6-7,9-12,20,27,29H,8,13H2,1-5H3/t20-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of phorbol ester-induced ornithine decraboxylase in human MCF7 cells after 6 hrs


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


(Homo sapiens)
BDBM50241688
PNG
((2S)-6-(gamma,gamma-dimethylallyl)-5-3'-dihydroxy-...)
Show SMILES COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)c(CC=C(C)C)c3OC(C)(C)C=Cc3c2O1
Show InChI InChI=1S/C26H28O6/c1-14(2)6-8-16-23(29)22-19(28)13-21(15-7-9-20(30-5)18(27)12-15)31-25(22)17-10-11-26(3,4)32-24(16)17/h6-7,9-12,21,27,29H,8,13H2,1-5H3/t21-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of phorbol ester-induced ornithine decraboxylase in human MCF7 cells after 6 hrs


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


(Homo sapiens)
BDBM50241687
PNG
((2S)-6-(gamma,gamma-dimethylallyl)-5-hydroxy-3',4'...)
Show SMILES COc1ccc(cc1OC)[C@@H]1CC(=O)c2c(O)c(CC=C(C)C)c3OC(C)(C)C=Cc3c2O1
Show InChI InChI=1S/C27H30O6/c1-15(2)7-9-17-24(29)23-19(28)14-21(16-8-10-20(30-5)22(13-16)31-6)32-26(23)18-11-12-27(3,4)33-25(17)18/h7-8,10-13,21,29H,9,14H2,1-6H3/t21-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of phorbol ester-induced ornithine decraboxylase in human MCF7 cells after 6 hrs


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


(Homo sapiens)
BDBM50241693
PNG
((2S)-6-(gamma,gamma-dimethylallyl)-3',4'-dimethoxy...)
Show SMILES COc1ccc(cc1OC)[C@@H]1CC(=O)c2cc(CC=C(C)C)c3OC(C)(C)C=Cc3c2O1
Show InChI InChI=1S/C27H30O5/c1-16(2)7-8-18-13-20-21(28)15-23(17-9-10-22(29-5)24(14-17)30-6)31-26(20)19-11-12-27(3,4)32-25(18)19/h7,9-14,23H,8,15H2,1-6H3/t23-/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of phorbol ester-induced ornithine decraboxylase in human MCF7 cells after 6 hrs


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


(Homo sapiens)
BDBM50241685
PNG
(CHEMBL455604 | lonchocarpusone)
Show SMILES COc1cc(OC)c(cc1OC)C1COc2c(ccc3OC(C)(C)C=Cc23)C1=O
Show InChI InChI=1S/C23H24O6/c1-23(2)9-8-13-17(29-23)7-6-14-21(24)16(12-28-22(13)14)15-10-19(26-4)20(27-5)11-18(15)25-3/h6-11,16H,12H2,1-5H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of phorbol ester-induced ornithine decraboxylase in human MCF7 cells after 6 hrs


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


(Homo sapiens)
BDBM50202558
PNG
(5,6,2',6'-tetramethoxyflavone | CHEMBL375582)
Show SMILES COc1ccc2oc(cc(=O)c2c1OC)-c1c(OC)cccc1OC
Show InChI InChI=1S/C19H18O6/c1-21-12-6-5-7-13(22-2)18(12)16-10-11(20)17-14(25-16)8-9-15(23-3)19(17)24-4/h5-10H,1-4H3
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n/an/a 3.40E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of TPA-induced ODC activity in T24 cells


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


(Homo sapiens)
BDBM50241694
PNG
(3-methoxy-4-hydroxylonchocarpin | CHEMBL463206)
Show SMILES COc1cc(\C=C\C(=O)c2ccc3OC(C)(C)C=Cc3c2O)ccc1O
Show InChI InChI=1S/C21H20O5/c1-21(2)11-10-15-18(26-21)9-6-14(20(15)24)16(22)7-4-13-5-8-17(23)19(12-13)25-3/h4-12,23-24H,1-3H3/b7-4+
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n/an/a 3.60E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of phorbol ester-induced ornithine decraboxylase in human MCF7 cells after 6 hrs


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


(Homo sapiens)
BDBM50241698
PNG
(3,4,5-trimethoxy-6'',6''-dimethylpyran[2'',3'':3',...)
Show SMILES COc1cc(\C=C\c2ccc3C=CC(C)(C)Oc3c2)cc(OC)c1OC
Show InChI InChI=1S/C22H24O4/c1-22(2)11-10-17-9-8-15(12-18(17)26-22)6-7-16-13-19(23-3)21(25-5)20(14-16)24-4/h6-14H,1-5H3/b7-6+
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n/an/a 3.90E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of phorbol ester-induced ornithine decraboxylase in human MCF7 cells after 6 hrs


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


(Homo sapiens)
BDBM50240945
PNG
((E)-1-(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)-3-(...)
Show SMILES CC1(C)Oc2ccc(C(=O)\C=C\c3ccc(O)cc3)c(O)c2C=C1
Show InChI InChI=1S/C20H18O4/c1-20(2)12-11-16-18(24-20)10-8-15(19(16)23)17(22)9-5-13-3-6-14(21)7-4-13/h3-12,21,23H,1-2H3/b9-5+
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n/an/a 4.70E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of phorbol ester-induced ornithine decraboxylase in human MCF7 cells after 6 hrs


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


(Homo sapiens)
BDBM50241696
PNG
(4-hydroxy-5'-methoxy-6'',6''-dimethyl-pyran[2'',3'...)
Show SMILES COc1cc(\C=C\c2ccc(O)cc2)cc2OC(C)(C)C=Cc12
Show InChI InChI=1S/C20H20O3/c1-20(2)11-10-17-18(22-3)12-15(13-19(17)23-20)5-4-14-6-8-16(21)9-7-14/h4-13,21H,1-3H3/b5-4+
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n/an/a 5.20E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of phorbol ester-induced ornithine decraboxylase in human MCF7 cells after 6 hrs


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


(Homo sapiens)
BDBM50241697
PNG
(3,5'-dimethoxy-4-hydroxy-6'',6''-dimethylpyran[2''...)
Show SMILES COc1cc(\C=C\c2cc(OC)c3C=CC(C)(C)Oc3c2)ccc1O
Show InChI InChI=1S/C21H22O4/c1-21(2)10-9-16-18(23-3)12-15(13-19(16)25-21)6-5-14-7-8-17(22)20(11-14)24-4/h5-13,22H,1-4H3/b6-5+
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n/an/a 7.40E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of phorbol ester-induced ornithine decraboxylase in human MCF7 cells after 6 hrs


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


(Homo sapiens)
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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n/an/a 1.90E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of phorbol ester-induced ornithine decraboxylase in human MCF7 cells after 6 hrs


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


(Homo sapiens)
BDBM19459
PNG
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
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n/an/a 2.60E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of phorbol ester-induced ornithine decraboxylase in human MCF7 cells after 6 hrs


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


(Homo sapiens)
BDBM50241686
PNG
(CHEMBL455605 | cis-4'',5''-dihydro-4'',5''-dihydro...)
Show SMILES COc1cc(OC)c(cc1OC)C1COc2c(ccc3OC(C)(C)[C@@H](O)[C@@H](O)c23)C1=O
Show InChI InChI=1S/C23H26O8/c1-23(2)22(26)20(25)18-14(31-23)7-6-11-19(24)13(10-30-21(11)18)12-8-16(28-4)17(29-5)9-15(12)27-3/h6-9,13,20,22,25-26H,10H2,1-5H3/t13?,20-,22-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of phorbol ester-induced ornithine decraboxylase in human MCF7 cells after 6 hrs


Citation and Details
More data for this
Ligand-Target Pair