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Compile Data Set for Download or QSAR

Found 11 hits of ic50 for UniProtKB: O35240   
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
Acid-sensing ion channel 3


(Rattus norvegicus)
BDBM50259583
PNG
(3-amino-5-(biphenyl-3-yl)-N-(diaminomethylene)pyra...)
Show SMILES NC(=N)NC(=O)c1ncc(nc1N)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C18H16N6O/c19-16-15(17(25)24-18(20)21)22-10-14(23-16)13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-10H,(H2,19,23)(H4,20,21,24,25)
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n/an/a 950n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat ASIC3 assessed as inhibition of peak current by patch clamp electrophisiology


Bioorg Med Chem Lett 19: 2514-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.029
BindingDB Entry DOI: 10.7270/Q2MK6CS6
More data for this
Ligand-Target Pair
Acid-sensing ion channel 3


(Rattus norvegicus)
BDBM50157090
PNG
(6-(2-(1-isopropyl-2-methyl-1,2,3,4-tetrahydroisoqu...)
Show SMILES CC(C)C1N(C)CCc2ccc(cc12)C1CC1c1ccc2cc(ccc2c1)C(N)=N
Show InChI InChI=1S/C27H31N3/c1-16(2)26-25-14-21(7-4-17(25)10-11-30(26)3)24-15-23(24)20-8-5-19-13-22(27(28)29)9-6-18(19)12-20/h4-9,12-14,16,23-24,26H,10-11,15H2,1-3H3,(H3,28,29)
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n/an/a 9.50E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ASIC3 in rat DRG neurons


J Med Chem 56: 593-624 (2013)


Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ
More data for this
Ligand-Target Pair
Acid-sensing ion channel 3


(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=1S/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 2.29E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rat ASIC3 receptor expressed in xenopus lavies oocytes assessed as inhibition of pH 6.4-gated currents by two electrode voltage clamp


J Med Chem 60: 8192-8200 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01072
BindingDB Entry DOI: 10.7270/Q2N58PSV
More data for this
Ligand-Target Pair
Acid-sensing ion channel 3


(Rattus norvegicus)
BDBM50250133
PNG
(Butibufen)
Show SMILES CCC(C(O)=O)c1ccc(CC(C)C)cc1
Show InChI InChI=1S/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 2.88E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rat ASIC3 receptor expressed in xenopus lavies oocytes assessed as inhibition of pH 6.4-gated currents by two electrode voltage clamp


J Med Chem 60: 8192-8200 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01072
BindingDB Entry DOI: 10.7270/Q2N58PSV
More data for this
Ligand-Target Pair
Acid-sensing ion channel 3


(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 3.02E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rat ASIC3 receptor expressed in xenopus lavies oocytes assessed as inhibition of pH 6.4-gated currents by two electrode voltage clamp


J Med Chem 60: 8192-8200 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01072
BindingDB Entry DOI: 10.7270/Q2N58PSV
More data for this
Ligand-Target Pair
Acid-sensing ion channel 3


(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 |r|
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-/m0/s1
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n/an/a 3.09E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rat ASIC3 receptor expressed in xenopus lavies oocytes assessed as inhibition of pH 6.4-gated currents by two electrode voltage clamp


J Med Chem 60: 8192-8200 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01072
BindingDB Entry DOI: 10.7270/Q2N58PSV
More data for this
Ligand-Target Pair
Acid-sensing ion channel 3


(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 3.89E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rat ASIC3 receptor expressed in xenopus lavies oocytes assessed as inhibition of pH 6.4-gated currents by two electrode voltage clamp


J Med Chem 60: 8192-8200 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01072
BindingDB Entry DOI: 10.7270/Q2N58PSV
More data for this
Ligand-Target Pair
Acid-sensing ion channel 3


(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 4.17E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rat ASIC3 receptor expressed in xenopus lavies oocytes assessed as inhibition of pH 6.4-gated currents by two electrode voltage clamp


J Med Chem 60: 8192-8200 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01072
BindingDB Entry DOI: 10.7270/Q2N58PSV
More data for this
Ligand-Target Pair
Acid-sensing ion channel 3


(Rattus norvegicus)
BDBM50009859
PNG
((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Show SMILES CC(C)Cc1ccc(cc1)C(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)
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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 ASIC3 receptor expressed in xenopus lavies oocytes assessed as inhibition of pH 6.4-gated currents by two electrode voltage clamp


J Med Chem 60: 8192-8200 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01072
BindingDB Entry DOI: 10.7270/Q2N58PSV
More data for this
Ligand-Target Pair
Acid-sensing ion channel 3


(Rattus norvegicus)
BDBM50250131
PNG
(CHEMBL190275)
Show SMILES CC(C(O)=O)c1ccc(C)cc1
Show InChI InChI=1S/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 7.08E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rat ASIC3 receptor expressed in xenopus lavies oocytes assessed as inhibition of pH 6.4-gated currents by two electrode voltage clamp


J Med Chem 60: 8192-8200 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01072
BindingDB Entry DOI: 10.7270/Q2N58PSV
More data for this
Ligand-Target Pair
Acid-sensing ion channel 3


(Rattus norvegicus)
BDBM50250132
PNG
(CHEMBL4080879)
Show SMILES CC(C)Cc1ccc(cc1)C(F)C(O)=O
Show InChI InChI=1S/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 8.91E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rat ASIC3 receptor expressed in xenopus lavies oocytes assessed as inhibition of pH 6.4-gated currents by two electrode voltage clamp


J Med Chem 60: 8192-8200 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01072
BindingDB Entry DOI: 10.7270/Q2N58PSV
More data for this
Ligand-Target Pair