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Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with Target = 'Acid-sensing ion channel 1'   
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
Amiloride-sensitive cation channel 2, neuronal


(Homo sapiens (Human))
BDBM50096642
PNG
(CHEMBL3577296)
Show SMILES CCN(CC)CCN(Cc1ccc(Cl)cc1)c1ccc2cc(C(N)=N)c(=O)oc2c1
Show InChI InChI=1S/C23H27ClN4O2/c1-3-27(4-2)11-12-28(15-16-5-8-18(24)9-6-16)19-10-7-17-13-20(22(25)26)23(29)30-21(17)14-19/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H3,25,26)
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n/an/a 27n/an/an/an/a6.7n/a



Bogomoletz Institute of Physiology of NAS Ukraine

Curated by ChEMBL


Assay Description
Inhibition of human ASIC1a endogenously expressed in HEK293 cells clamped at -100 mV gated ionic current at pH 6.7 by standard whole cell patch clamp...


J Med Chem 58: 4449-61 (2015)


Article DOI: 10.1021/jm5017329
BindingDB Entry DOI: 10.7270/Q2FT8NTK
More data for this
Ligand-Target Pair
Amiloride-sensitive cation channel 2, neuronal


(Homo sapiens (Human))
BDBM50348098
PNG
(CHEMBL1800430)
Show SMILES NCc1sc2cc(ccc2c1Cl)C#Cc1ccc2CCNCc2c1
Show InChI InChI=1S/C20H17ClN2S/c21-20-17-6-4-14(10-18(17)24-19(20)11-22)2-1-13-3-5-15-7-8-23-12-16(15)9-13/h3-6,9-10,23H,7-8,11-12,22H2
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n/an/a 224n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ASIC1a


Bioorg Med Chem Lett 21: 4255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.064
BindingDB Entry DOI: 10.7270/Q2DZ08P8
More data for this
Ligand-Target Pair
Amiloride-sensitive cation channel 2, neuronal


(Homo sapiens (Human))
BDBM50096642
PNG
(CHEMBL3577296)
Show SMILES CCN(CC)CCN(Cc1ccc(Cl)cc1)c1ccc2cc(C(N)=N)c(=O)oc2c1
Show InChI InChI=1S/C23H27ClN4O2/c1-3-27(4-2)11-12-28(15-16-5-8-18(24)9-6-16)19-10-7-17-13-20(22(25)26)23(29)30-21(17)14-19/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H3,25,26)
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n/an/a 7.34E+3n/an/an/an/a5.0n/a



Bogomoletz Institute of Physiology of NAS Ukraine

Curated by ChEMBL


Assay Description
Inhibition of human ASIC1a endogenously expressed in HEK293 cells clamped at -100 mV gated ionic current at pH 5.0 by standard whole cell patch clamp...


J Med Chem 58: 4449-61 (2015)


Article DOI: 10.1021/jm5017329
BindingDB Entry DOI: 10.7270/Q2FT8NTK
More data for this
Ligand-Target Pair
Acid-sensing ion channel 1


(Rattus norvegicus)
BDBM50009859
PNG
((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
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n/an/a 1.35E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rat ASIC1a receptor expressed in xenopus lavies oocytes at pH 6.9 by two electrode voltage clamp


J Med Chem 60: 8192-8200 (2017)

More data for this
Ligand-Target Pair
Acid-sensing ion channel 1


(Rattus norvegicus)
BDBM50009859
PNG
((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
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n/an/a 1.35E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rat ASIC1a receptor expressed in xenopus lavies oocytes at pH 6.9 by two electrode voltage clamp


J Med Chem 60: 8192-8200 (2017)

More data for this
Ligand-Target Pair
Acid-sensing ion channel 1


(Rattus norvegicus)
BDBM50074922
PNG
((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid |...)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
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n/an/a 1.70E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rat ASIC1a receptor expressed in xenopus lavies oocytes assessed as inhibition of pH 6.7-gated currents by two electrode voltage clamp


J Med Chem 60: 8192-8200 (2017)

More data for this
Ligand-Target Pair
Acid-sensing ion channel 1


(Rattus norvegicus)
BDBM50250133
PNG
(BUTIBUFEN | Butibufen)
Show SMILES CCC(C(O)=O)c1ccc(CC(C)C)cc1
Show InChI InChI=1/C14H20O2/c1-4-13(14(15)16)12-7-5-11(6-8-12)9-10(2)3/h5-8,10,13H,4,9H2,1-3H3,(H,15,16)
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n/an/a 1.82E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rat ASIC1a receptor expressed in xenopus lavies oocytes assessed as inhibition of pH 6.7-gated currents by two electrode voltage clamp


J Med Chem 60: 8192-8200 (2017)

More data for this
Ligand-Target Pair
Acid-sensing ion channel 1


(Rattus norvegicus)
BDBM50169044
PNG
((-)-ibuprofen | (2R)-2-(4-isobutylphenyl)propanoic...)
Show SMILES CC(C)Cc1ccc(cc1)[C@@H](C)C(O)=O
Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1
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n/an/a 2.88E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rat ASIC1a receptor expressed in xenopus lavies oocytes assessed as inhibition of pH 6.7-gated currents by two electrode voltage clamp


J Med Chem 60: 8192-8200 (2017)

More data for this
Ligand-Target Pair
Acid-sensing ion channel 1


(Rattus norvegicus)
BDBM50009859
PNG
((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
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n/an/a 2.95E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rat ASIC1a receptor expressed in xenopus lavies oocytes at pH 6.7 by two electrode voltage clamp


J Med Chem 60: 8192-8200 (2017)

More data for this
Ligand-Target Pair
Acid-sensing ion channel 1


(Rattus norvegicus)
BDBM50009859
PNG
((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
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n/an/a 2.95E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rat ASIC1a receptor expressed in xenopus lavies oocytes at pH 6.7 by two electrode voltage clamp


J Med Chem 60: 8192-8200 (2017)

More data for this
Ligand-Target Pair
Acid-sensing ion channel 1


(Rattus norvegicus)
BDBM50009859
PNG
((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
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n/an/a 2.95E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rat ASIC1a receptor expressed in xenopus lavies oocytes assessed as inhibition of pH 6.7-gated currents by two electrode voltage clamp


J Med Chem 60: 8192-8200 (2017)

More data for this
Ligand-Target Pair
Acid-sensing ion channel 1


(Rattus norvegicus)
BDBM50169047
PNG
((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
Show SMILES CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O
Show InChI InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/s2
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n/an/a 3.47E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rat ASIC1a receptor expressed in xenopus lavies oocytes assessed as inhibition of pH 6.7-gated currents by two electrode voltage clamp


J Med Chem 60: 8192-8200 (2017)

More data for this
Ligand-Target Pair
Acid-sensing ion channel 1


(Rattus norvegicus)
BDBM50250130
PNG
(CHEMBL4083814)
Show SMILES CC(C)Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C11H14O2/c1-8(2)7-9-3-5-10(6-4-9)11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)
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n/an/a 4.17E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rat ASIC1a receptor expressed in xenopus lavies oocytes assessed as inhibition of pH 6.7-gated currents by two electrode voltage clamp


J Med Chem 60: 8192-8200 (2017)

More data for this
Ligand-Target Pair
Acid-sensing ion channel 1


(Rattus norvegicus)
BDBM50009859
PNG
((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
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n/an/a 5.13E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rat ASIC1a receptor expressed in xenopus lavies oocytes at pH 6.4 by two electrode voltage clamp


J Med Chem 60: 8192-8200 (2017)

More data for this
Ligand-Target Pair
Acid-sensing ion channel 1


(Rattus norvegicus)
BDBM50009859
PNG
((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
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n/an/a 5.13E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rat ASIC1a receptor expressed in xenopus lavies oocytes at pH 6.4 by two electrode voltage clamp


J Med Chem 60: 8192-8200 (2017)

More data for this
Ligand-Target Pair
Acid-sensing ion channel 1


(Rattus norvegicus)
BDBM50250132
PNG
(CHEMBL4080879)
Show SMILES CC(C)Cc1ccc(cc1)C(F)C(O)=O
Show InChI InChI=1/C12H15FO2/c1-8(2)7-9-3-5-10(6-4-9)11(13)12(14)15/h3-6,8,11H,7H2,1-2H3,(H,14,15)
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n/an/a 9.55E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rat ASIC1a receptor expressed in xenopus lavies oocytes assessed as inhibition of pH 6.7-gated currents by two electrode voltage clamp


J Med Chem 60: 8192-8200 (2017)

More data for this
Ligand-Target Pair
Acid-sensing ion channel 1


(Rattus norvegicus)
BDBM50295285
PNG
((4-Isobutyl-phenyl)-acetic acid | 2-(4-isobutylphe...)
Show SMILES CC(C)Cc1ccc(CC(O)=O)cc1
Show InChI InChI=1S/C12H16O2/c1-9(2)7-10-3-5-11(6-4-10)8-12(13)14/h3-6,9H,7-8H2,1-2H3,(H,13,14)
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n/an/a 1.02E+6n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rat ASIC1a receptor expressed in xenopus lavies oocytes assessed as inhibition of pH 6.7-gated currents by two electrode voltage clamp


J Med Chem 60: 8192-8200 (2017)

More data for this
Ligand-Target Pair
Acid-sensing ion channel 1


(Rattus norvegicus)
BDBM50250131
PNG
(CHEMBL190275)
Show SMILES CC(C(O)=O)c1ccc(C)cc1
Show InChI InChI=1/C10H12O2/c1-7-3-5-9(6-4-7)8(2)10(11)12/h3-6,8H,1-2H3,(H,11,12)
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n/an/a<1.00E+7n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rat ASIC1a receptor expressed in xenopus lavies oocytes assessed as inhibition of pH 6.7-gated currents by two electrode voltage clamp


J Med Chem 60: 8192-8200 (2017)

More data for this
Ligand-Target Pair
Amiloride-sensitive cation channel 2, neuronal


(Homo sapiens (Human))
BDBM50096642
PNG
(CHEMBL3577296)
Show SMILES CCN(CC)CCN(Cc1ccc(Cl)cc1)c1ccc2cc(C(N)=N)c(=O)oc2c1
Show InChI InChI=1S/C23H27ClN4O2/c1-3-27(4-2)11-12-28(15-16-5-8-18(24)9-6-16)19-10-7-17-13-20(22(25)26)23(29)30-21(17)14-19/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H3,25,26)
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n/an/an/an/a 6.5n/an/an/an/a



Bogomoletz Institute of Physiology of NAS Ukraine

Curated by ChEMBL


Assay Description
Orthosteric non-competitive inhibition of human ASIC1a endogenously expressed in HEK293 cells clamped at -100 mV gated ionic current assessed as EC50...


J Med Chem 58: 4449-61 (2015)


Article DOI: 10.1021/jm5017329
BindingDB Entry DOI: 10.7270/Q2FT8NTK
More data for this
Ligand-Target Pair
Amiloride-sensitive cation channel 2, neuronal


(Homo sapiens (Human))
BDBM50096642
PNG
(CHEMBL3577296)
Show SMILES CCN(CC)CCN(Cc1ccc(Cl)cc1)c1ccc2cc(C(N)=N)c(=O)oc2c1
Show InChI InChI=1S/C23H27ClN4O2/c1-3-27(4-2)11-12-28(15-16-5-8-18(24)9-6-16)19-10-7-17-13-20(22(25)26)23(29)30-21(17)14-19/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H3,25,26)
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n/an/an/an/a 6.40n/an/an/an/a



Bogomoletz Institute of Physiology of NAS Ukraine

Curated by ChEMBL


Assay Description
Orthosteric non-competitive inhibition of human ASIC1a endogenously expressed in HEK293 cells clamped at -100 mV gated ionic current assessed as EC50...


J Med Chem 58: 4449-61 (2015)


Article DOI: 10.1021/jm5017329
BindingDB Entry DOI: 10.7270/Q2FT8NTK
More data for this
Ligand-Target Pair
Amiloride-sensitive cation channel 2, neuronal


(Homo sapiens (Human))
BDBM50096642
PNG
(CHEMBL3577296)
Show SMILES CCN(CC)CCN(Cc1ccc(Cl)cc1)c1ccc2cc(C(N)=N)c(=O)oc2c1
Show InChI InChI=1S/C23H27ClN4O2/c1-3-27(4-2)11-12-28(15-16-5-8-18(24)9-6-16)19-10-7-17-13-20(22(25)26)23(29)30-21(17)14-19/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H3,25,26)
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n/an/an/an/a 6.20n/an/an/an/a



Bogomoletz Institute of Physiology of NAS Ukraine

Curated by ChEMBL


Assay Description
Orthosteric non-competitive inhibition of human ASIC1a endogenously expressed in HEK293 cells clamped at -100 mV gated ionic current assessed as EC50...


J Med Chem 58: 4449-61 (2015)


Article DOI: 10.1021/jm5017329
BindingDB Entry DOI: 10.7270/Q2FT8NTK
More data for this
Ligand-Target Pair