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Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 50037188   
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
Hydroxycarboxylic acid receptor 2


(Rattus norvegicus)
BDBM23515
PNG
(CHEMBL573 | Niacin | Nicotinic Acid | [5, 6-3H]-ni...)
Show SMILES OC(=O)c1cccnc1
Show InChI InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
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33n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane.


J Med Chem 46: 3945-51 (2003)


Article DOI: 10.1021/jm030888c
BindingDB Entry DOI: 10.7270/Q2V988TK
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Rattus norvegicus)
BDBM50220842
PNG
(3-butyl-1H-pyrazole-5-carboxylic acid | 5-butyl-1H...)
Show SMILES CCCCc1cc(n[nH]1)C(O)=O
Show InChI InChI=1S/C8H12N2O2/c1-2-3-4-6-5-7(8(11)12)10-9-6/h5H,2-4H2,1H3,(H,9,10)(H,11,12)
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72n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane.


J Med Chem 46: 3945-51 (2003)


Article DOI: 10.1021/jm030888c
BindingDB Entry DOI: 10.7270/Q2V988TK
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Rattus norvegicus)
BDBM50220850
PNG
(3-propyl-1H-pyrazole-5-carboxylic acid | 5-propyl-...)
Show SMILES CCCc1cc(n[nH]1)C(O)=O
Show InChI InChI=1S/C7H10N2O2/c1-2-3-5-4-6(7(10)11)9-8-5/h4H,2-3H2,1H3,(H,8,9)(H,10,11)
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143n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane.


J Med Chem 46: 3945-51 (2003)


Article DOI: 10.1021/jm030888c
BindingDB Entry DOI: 10.7270/Q2V988TK
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Rattus norvegicus)
BDBM50132140
PNG
(1,4,5,6-Tetrahydro-cyclopentapyrazole-3-carboxylic...)
Show SMILES OC(=O)c1n[nH]c2CCCc12
Show InChI InChI=1S/C7H8N2O2/c10-7(11)6-4-2-1-3-5(4)8-9-6/h1-3H2,(H,8,9)(H,10,11)
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156n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane.


J Med Chem 46: 3945-51 (2003)


Article DOI: 10.1021/jm030888c
BindingDB Entry DOI: 10.7270/Q2V988TK
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Rattus norvegicus)
BDBM50216550
PNG
(3-(3-chlorobenzyl)-1H-pyrazole-5-carboxylic acid |...)
Show SMILES OC(=O)c1cc(Cc2cccc(Cl)c2)[nH]n1
Show InChI InChI=1S/C11H9ClN2O2/c12-8-3-1-2-7(4-8)5-9-6-10(11(15)16)14-13-9/h1-4,6H,5H2,(H,13,14)(H,15,16)
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504n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane.


J Med Chem 46: 3945-51 (2003)


Article DOI: 10.1021/jm030888c
BindingDB Entry DOI: 10.7270/Q2V988TK
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Rattus norvegicus)
BDBM50132132
PNG
(1H-pyrazole-3-carboxylic acid | CHEMBL128679)
Show SMILES OC(=O)c1ccn[nH]1
Show InChI InChI=1S/C4H4N2O2/c7-4(8)3-1-2-5-6-3/h1-2H,(H,5,6)(H,7,8)
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594n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane.


J Med Chem 46: 3945-51 (2003)


Article DOI: 10.1021/jm030888c
BindingDB Entry DOI: 10.7270/Q2V988TK
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Rattus norvegicus)
BDBM50211363
PNG
(3-isopropyl-1H-pyrazole-5-carboxylic acid | 5-Isop...)
Show SMILES CC(C)c1cc(n[nH]1)C(O)=O
Show InChI InChI=1S/C7H10N2O2/c1-4(2)5-3-6(7(10)11)9-8-5/h3-4H,1-2H3,(H,8,9)(H,10,11)
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683n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane.


J Med Chem 46: 3945-51 (2003)


Article DOI: 10.1021/jm030888c
BindingDB Entry DOI: 10.7270/Q2V988TK
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Rattus norvegicus)
BDBM50216537
PNG
(3-benzyl-1H-pyrazole-5-carboxylic acid | 5-Benzyl-...)
Show SMILES OC(=O)c1cc(Cc2ccccc2)[nH]n1
Show InChI InChI=1S/C11H10N2O2/c14-11(15)10-7-9(12-13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,12,13)(H,14,15)
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1.25E+3n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane.


J Med Chem 46: 3945-51 (2003)


Article DOI: 10.1021/jm030888c
BindingDB Entry DOI: 10.7270/Q2V988TK
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Rattus norvegicus)
BDBM50132146
PNG
(5-Phenethyl-1H-pyrazole-3-carboxylic acid | CHEMBL...)
Show SMILES OC(=O)c1cc(CCc2ccccc2)[nH]n1
Show InChI InChI=1S/C12H12N2O2/c15-12(16)11-8-10(13-14-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,13,14)(H,15,16)
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1.57E+3n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane.


J Med Chem 46: 3945-51 (2003)


Article DOI: 10.1021/jm030888c
BindingDB Entry DOI: 10.7270/Q2V988TK
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Rattus norvegicus)
BDBM50132142
PNG
(4,5,6,7-Tetrahydro-1H-indazole-3-carboxylic acid |...)
Show SMILES OC(=O)c1n[nH]c2CCCCc12
Show InChI InChI=1S/C8H10N2O2/c11-8(12)7-5-3-1-2-4-6(5)9-10-7/h1-4H2,(H,9,10)(H,11,12)
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3.54E+3n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane.


J Med Chem 46: 3945-51 (2003)


Article DOI: 10.1021/jm030888c
BindingDB Entry DOI: 10.7270/Q2V988TK
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Rattus norvegicus)
BDBM50132144
PNG
(5-(4-Chloro-benzyl)-1H-pyrazole-3-carboxylic acid ...)
Show SMILES OC(=O)c1cc(Cc2ccc(Cl)cc2)[nH]n1
Show InChI InChI=1S/C11H9ClN2O2/c12-8-3-1-7(2-4-8)5-9-6-10(11(15)16)14-13-9/h1-4,6H,5H2,(H,13,14)(H,15,16)
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3.61E+3n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane.


J Med Chem 46: 3945-51 (2003)


Article DOI: 10.1021/jm030888c
BindingDB Entry DOI: 10.7270/Q2V988TK
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Rattus norvegicus)
BDBM50132139
PNG
(5-(3-Phenyl-propyl)-1H-pyrazole-3-carboxylic acid ...)
Show SMILES OC(=O)c1cc(CCCc2ccccc2)[nH]n1
Show InChI InChI=1S/C13H14N2O2/c16-13(17)12-9-11(14-15-12)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,14,15)(H,16,17)
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6.30E+3n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane.


J Med Chem 46: 3945-51 (2003)


Article DOI: 10.1021/jm030888c
BindingDB Entry DOI: 10.7270/Q2V988TK
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Rattus norvegicus)
BDBM50132150
PNG
(5-(4-Methyl-benzyl)-1H-pyrazole-3-carboxylic acid ...)
Show SMILES Cc1ccc(Cc2cc(n[nH]2)C(O)=O)cc1
Show InChI InChI=1S/C12H12N2O2/c1-8-2-4-9(5-3-8)6-10-7-11(12(15)16)14-13-10/h2-5,7H,6H2,1H3,(H,13,14)(H,15,16)
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2.03E+4n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane.


J Med Chem 46: 3945-51 (2003)


Article DOI: 10.1021/jm030888c
BindingDB Entry DOI: 10.7270/Q2V988TK
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Rattus norvegicus)
BDBM50132136
PNG
(5-Undecyl-1H-pyrazole-3-carboxylic acid | CHEMBL12...)
Show SMILES CCCCCCCCCCCc1cc(n[nH]1)C(O)=O
Show InChI InChI=1S/C15H26N2O2/c1-2-3-4-5-6-7-8-9-10-11-13-12-14(15(18)19)17-16-13/h12H,2-11H2,1H3,(H,16,17)(H,18,19)
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2.14E+4n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane.


J Med Chem 46: 3945-51 (2003)


Article DOI: 10.1021/jm030888c
BindingDB Entry DOI: 10.7270/Q2V988TK
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Rattus norvegicus)
BDBM50132133
PNG
(5-p-Tolyl-1H-pyrazole-3-carboxylic acid | CHEMBL34...)
Show SMILES Cc1ccc(cc1)-c1cc([nH]n1)C(O)=O
Show InChI InChI=1S/C11H10N2O2/c1-7-2-4-8(5-3-7)9-6-10(11(14)15)13-12-9/h2-6H,1H3,(H,12,13)(H,14,15)
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3.79E+4n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane.


J Med Chem 46: 3945-51 (2003)


Article DOI: 10.1021/jm030888c
BindingDB Entry DOI: 10.7270/Q2V988TK
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Rattus norvegicus)
BDBM50132149
PNG
(5-(3-Chloro-phenyl)-1H-pyrazole-3-carboxylic acid ...)
Show SMILES OC(=O)c1cc(n[nH]1)-c1cccc(Cl)c1
Show InChI InChI=1S/C10H7ClN2O2/c11-7-3-1-2-6(4-7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15)
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6.37E+4n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane.


J Med Chem 46: 3945-51 (2003)


Article DOI: 10.1021/jm030888c
BindingDB Entry DOI: 10.7270/Q2V988TK
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Rattus norvegicus)
BDBM50132134
PNG
(5-(4-Methoxy-benzyl)-1H-pyrazole-3-carboxylic acid...)
Show SMILES COc1ccc(Cc2cc(n[nH]2)C(O)=O)cc1
Show InChI InChI=1S/C12H12N2O3/c1-17-10-4-2-8(3-5-10)6-9-7-11(12(15)16)14-13-9/h2-5,7H,6H2,1H3,(H,13,14)(H,15,16)
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6.60E+4n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane.


J Med Chem 46: 3945-51 (2003)


Article DOI: 10.1021/jm030888c
BindingDB Entry DOI: 10.7270/Q2V988TK
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Rattus norvegicus)
BDBM50132135
PNG
(4,6-Dihydro-1H-furo[3,4-c]pyrazole-3-carboxylic ac...)
Show SMILES OC(=O)c1[nH]nc2COCc12
Show InChI InChI=1S/C6H6N2O3/c9-6(10)5-3-1-11-2-4(3)7-8-5/h1-2H2,(H,7,8)(H,9,10)
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>1.00E+5n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane.


J Med Chem 46: 3945-51 (2003)


Article DOI: 10.1021/jm030888c
BindingDB Entry DOI: 10.7270/Q2V988TK
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Rattus norvegicus)
BDBM50241312
PNG
(3-phenyl-1H-pyrazole-5-carboxylic acid | 5-Phenyl-...)
Show SMILES OC(=O)c1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C10H8N2O2/c13-10(14)9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)
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1.01E+5n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane.


J Med Chem 46: 3945-51 (2003)


Article DOI: 10.1021/jm030888c
BindingDB Entry DOI: 10.7270/Q2V988TK
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Rattus norvegicus)
BDBM44423
PNG
(3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid |...)
Show SMILES OC(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C10H7ClN2O2/c11-7-3-1-6(2-4-7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15)
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1.07E+5n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane.


J Med Chem 46: 3945-51 (2003)


Article DOI: 10.1021/jm030888c
BindingDB Entry DOI: 10.7270/Q2V988TK
More data for this
Ligand-Target Pair