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Compile Data Set for Download or QSAR

Found 15 hits of ic50 data for polymerid = 50006628   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Aromatic-L-amino-acid decarboxylase


(Homo sapiens (Human))		BDBM50017577
PNG
(CHEMBL2323160)
Show SMILES [Cl-].COc1ccc2c(c1)c[n+](C)c1ccc(O)cc21
Show InChI InChI=1S/C15H13NO2.ClH/c1-16-9-10-7-12(18-2)4-5-13(10)14-8-11(17)3-6-15(14)16;/h3-9H,1-2H3;1H
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n/an/a 1.20E+5n/an/an/an/an/an/a



Hunan Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DOPA decarboxylase assessed as inhibition of dopamine production after 30 mins by HPLC method

Bioorg Med Chem Lett 24: 2712-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.047
BindingDB Entry DOI: 10.7270/Q29S1SKV
More data for this
Ligand-Target Pair
Aromatic-L-amino-acid decarboxylase


(Homo sapiens (Human))		BDBM50017576
PNG
(CHEMBL2323151)
Show SMILES [Cl-].COc1ccc2c(c1)c[n+](C)c1ccc(OC)cc21
Show InChI InChI=1S/C16H16NO2.ClH/c1-17-10-11-8-12(18-2)4-6-14(11)15-9-13(19-3)5-7-16(15)17;/h4-10H,1-3H3;1H/q+1;/p-1
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n/an/a 1.90E+5n/an/an/an/an/an/a



Hunan Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DOPA decarboxylase assessed as inhibition of dopamine production after 30 mins by HPLC method

Bioorg Med Chem Lett 24: 2712-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.047
BindingDB Entry DOI: 10.7270/Q29S1SKV
More data for this
Ligand-Target Pair
Aromatic-L-amino-acid decarboxylase


(Homo sapiens (Human))		BDBM25525
PNG
(24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11...)
Show SMILES C[n+]1cc2c3OCOc3ccc2c2ccc3cc4OCOc4cc3c12
Show InChI InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1
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n/an/a 2.00E+5n/an/an/an/an/an/a



Hunan Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DOPA decarboxylase assessed as inhibition of dopamine production after 30 mins by HPLC method

Bioorg Med Chem Lett 24: 2712-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.047
BindingDB Entry DOI: 10.7270/Q29S1SKV
More data for this
Ligand-Target Pair
Aromatic-L-amino-acid decarboxylase


(Homo sapiens (Human))		BDBM50017565
PNG
(CHEMBL3288322)
Show SMILES [Cl-].C[n+]1cc2ccccc2c2ccccc12
Show InChI InChI=1S/C14H12N.ClH/c1-15-10-11-6-2-3-7-12(11)13-8-4-5-9-14(13)15;/h2-10H,1H3;1H/q+1;/p-1
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n/an/a 4.00E+5n/an/an/an/an/an/a



Hunan Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DOPA decarboxylase assessed as inhibition of dopamine production after 30 mins by HPLC method

Bioorg Med Chem Lett 24: 2712-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.047
BindingDB Entry DOI: 10.7270/Q29S1SKV
More data for this
Ligand-Target Pair
Aromatic-L-amino-acid decarboxylase


(Homo sapiens (Human))		BDBM50017573
PNG
(CHEMBL3288327)
Show SMILES [Cl-].COc1ccc2c(c1)c[n+](C)c1ccc(F)cc21
Show InChI InChI=1S/C15H13FNO.ClH/c1-17-9-10-7-12(18-2)4-5-13(10)14-8-11(16)3-6-15(14)17;/h3-9H,1-2H3;1H/q+1;/p-1
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n/an/a 5.70E+5n/an/an/an/an/an/a



Hunan Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DOPA decarboxylase assessed as inhibition of dopamine production after 30 mins by HPLC method

Bioorg Med Chem Lett 24: 2712-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.047
BindingDB Entry DOI: 10.7270/Q29S1SKV
More data for this
Ligand-Target Pair
Aromatic-L-amino-acid decarboxylase


(Homo sapiens (Human))		BDBM50017575
PNG
(CHEMBL3288329)
Show SMILES [Cl-].COc1ccc2c(c1)c[n+](C)c1ccc(C)cc21
Show InChI InChI=1S/C16H16NO.ClH/c1-11-4-7-16-15(8-11)14-6-5-13(18-3)9-12(14)10-17(16)2;/h4-10H,1-3H3;1H/q+1;/p-1
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n/an/a 6.00E+5n/an/an/an/an/an/a



Hunan Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DOPA decarboxylase assessed as inhibition of dopamine production after 30 mins by HPLC method

Bioorg Med Chem Lett 24: 2712-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.047
BindingDB Entry DOI: 10.7270/Q29S1SKV
More data for this
Ligand-Target Pair
Aromatic-L-amino-acid decarboxylase


(Homo sapiens (Human))		BDBM50017574
PNG
(CHEMBL3288328)
Show SMILES [Cl-].COc1ccc2c(c1)c[n+](C)c1ccc(Cl)cc21
Show InChI InChI=1S/C15H13ClNO.ClH/c1-17-9-10-7-12(18-2)4-5-13(10)14-8-11(16)3-6-15(14)17;/h3-9H,1-2H3;1H/q+1;/p-1
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n/an/a 9.30E+5n/an/an/an/an/an/a



Hunan Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DOPA decarboxylase assessed as inhibition of dopamine production after 30 mins by HPLC method

Bioorg Med Chem Lett 24: 2712-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.047
BindingDB Entry DOI: 10.7270/Q29S1SKV
More data for this
Ligand-Target Pair
Aromatic-L-amino-acid decarboxylase


(Homo sapiens (Human))		BDBM50017572
PNG
(CHEMBL3288326)
Show SMILES [Cl-].COc1ccc2c(c1)c[n+](C)c1ccccc21
Show InChI InChI=1S/C15H14NO.ClH/c1-16-10-11-9-12(17-2)7-8-13(11)14-5-3-4-6-15(14)16;/h3-10H,1-2H3;1H/q+1;/p-1
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n/an/a 9.50E+5n/an/an/an/an/an/a



Hunan Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DOPA decarboxylase assessed as inhibition of dopamine production after 30 mins by HPLC method

Bioorg Med Chem Lett 24: 2712-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.047
BindingDB Entry DOI: 10.7270/Q29S1SKV
More data for this
Ligand-Target Pair
Aromatic-L-amino-acid decarboxylase


(Homo sapiens (Human))		BDBM50017571
PNG
(CHEMBL2323153)
Show SMILES [Cl-].COc1ccc2[n+](C)cc3cc(OC)c(OC)cc3c2c1
Show InChI InChI=1S/C17H18NO3.ClH/c1-18-10-11-7-16(20-3)17(21-4)9-13(11)14-8-12(19-2)5-6-15(14)18;/h5-10H,1-4H3;1H/q+1;/p-1
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n/an/a 1.17E+6n/an/an/an/an/an/a



Hunan Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DOPA decarboxylase assessed as inhibition of dopamine production after 30 mins by HPLC method

Bioorg Med Chem Lett 24: 2712-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.047
BindingDB Entry DOI: 10.7270/Q29S1SKV
More data for this
Ligand-Target Pair
Aromatic-L-amino-acid decarboxylase


(Homo sapiens (Human))		BDBM25524
PNG
(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)
Show SMILES COc1ccc2c(c[n+](C)c3c4cc5OCOc5cc4ccc23)c1OC
Show InChI InChI=1S/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1
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n/an/a 1.28E+6n/an/an/an/an/an/a



Hunan Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DOPA decarboxylase assessed as inhibition of dopamine production after 30 mins by HPLC method

Bioorg Med Chem Lett 24: 2712-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.047
BindingDB Entry DOI: 10.7270/Q29S1SKV
More data for this
Ligand-Target Pair
Aromatic-L-amino-acid decarboxylase


(Homo sapiens (Human))		BDBM50017566
PNG
(CHEBI:7578 | NITIDINE)
Show SMILES COc1cc2c[n+](C)c3c(ccc4cc5OCOc5cc34)c2cc1OC
Show InChI InChI=1S/C21H18NO4/c1-22-10-13-7-17(23-2)18(24-3)8-15(13)14-5-4-12-6-19-20(26-11-25-19)9-16(12)21(14)22/h4-10H,11H2,1-3H3/q+1
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n/an/a 1.34E+6n/an/an/an/an/an/a



Hunan Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DOPA decarboxylase assessed as inhibition of dopamine production after 30 mins by HPLC method

Bioorg Med Chem Lett 24: 2712-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.047
BindingDB Entry DOI: 10.7270/Q29S1SKV
More data for this
Ligand-Target Pair
Aromatic-L-amino-acid decarboxylase


(Homo sapiens (Human))		BDBM50017569
PNG
(CHEMBL3288324)
Show SMILES [Cl-].COc1cc2c[n+](C)c3ccc(Cl)cc3c2cc1OC
Show InChI InChI=1S/C16H15ClNO2.ClH/c1-18-9-10-6-15(19-2)16(20-3)8-12(10)13-7-11(17)4-5-14(13)18;/h4-9H,1-3H3;1H/q+1;/p-1
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n/an/a 1.39E+6n/an/an/an/an/an/a



Hunan Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DOPA decarboxylase assessed as inhibition of dopamine production after 30 mins by HPLC method

Bioorg Med Chem Lett 24: 2712-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.047
BindingDB Entry DOI: 10.7270/Q29S1SKV
More data for this
Ligand-Target Pair
Aromatic-L-amino-acid decarboxylase


(Homo sapiens (Human))		BDBM50017570
PNG
(CHEMBL3288325)
Show SMILES [Cl-].COc1cc2c[n+](C)c3ccc(C)cc3c2cc1OC
Show InChI InChI=1S/C17H18NO2.ClH/c1-11-5-6-15-14(7-11)13-9-17(20-4)16(19-3)8-12(13)10-18(15)2;/h5-10H,1-4H3;1H/q+1;/p-1
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n/an/a 1.49E+6n/an/an/an/an/an/a



Hunan Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DOPA decarboxylase assessed as inhibition of dopamine production after 30 mins by HPLC method

Bioorg Med Chem Lett 24: 2712-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.047
BindingDB Entry DOI: 10.7270/Q29S1SKV
More data for this
Ligand-Target Pair
Aromatic-L-amino-acid decarboxylase


(Homo sapiens (Human))		BDBM50017568
PNG
(CHEMBL3288323)
Show SMILES [Cl-].COc1cc2c[n+](C)c3ccc(F)cc3c2cc1OC
Show InChI InChI=1S/C16H15FNO2.ClH/c1-18-9-10-6-15(19-2)16(20-3)8-12(10)13-7-11(17)4-5-14(13)18;/h4-9H,1-3H3;1H/q+1;/p-1
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n/an/a 2.69E+6n/an/an/an/an/an/a



Hunan Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DOPA decarboxylase assessed as inhibition of dopamine production after 30 mins by HPLC method

Bioorg Med Chem Lett 24: 2712-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.047
BindingDB Entry DOI: 10.7270/Q29S1SKV
More data for this
Ligand-Target Pair
Aromatic-L-amino-acid decarboxylase


(Homo sapiens (Human))		BDBM50017567
PNG
(CHEMBL3248107)
Show SMILES [Cl-].COc1cc2c[n+](C)c3ccccc3c2cc1OC
Show InChI InChI=1S/C16H16NO2.ClH/c1-17-10-11-8-15(18-2)16(19-3)9-13(11)12-6-4-5-7-14(12)17;/h4-10H,1-3H3;1H/q+1;/p-1
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n/an/a 3.50E+6n/an/an/an/an/an/a



Hunan Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DOPA decarboxylase assessed as inhibition of dopamine production after 30 mins by HPLC method

Bioorg Med Chem Lett 24: 2712-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.047
BindingDB Entry DOI: 10.7270/Q29S1SKV
More data for this
Ligand-Target Pair