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Compile Data Set for Download or QSAR

Found 17 hits of ic50 data for polymerid = 50007455   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acid-sensing ion channel 1


(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 2.00E+3n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of ASIC1a in rat dorsal root ganglion neurons assessed as reduction in peak current preincubated for 120 secs followed by acid medium stim...


Bioorg Med Chem 26: 3158-3165 (2018)


Article DOI: 10.1016/j.bmc.2018.04.042
BindingDB Entry DOI: 10.7270/Q2PZ5CBD
More data for this
Ligand-Target Pair
Acid-sensing ion channel 1


(Rattus norvegicus)
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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n/an/a 3.02E+4n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of ASIC1 in Sprague-Dawley rat articular chondrocytes assessed as decrease in acid-induced intracellular calcium level by Fluo-3AM dye bas...


Bioorg Med Chem 26: 3158-3165 (2018)


Article DOI: 10.1016/j.bmc.2018.04.042
BindingDB Entry DOI: 10.7270/Q2PZ5CBD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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=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 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)


Article DOI: 10.1021/acs.jmedchem.7b01072
BindingDB Entry DOI: 10.7270/Q2N58PSV
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=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 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)


Article DOI: 10.1021/acs.jmedchem.7b01072
BindingDB Entry DOI: 10.7270/Q2N58PSV
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=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 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)


Article DOI: 10.1021/acs.jmedchem.7b01072
BindingDB Entry DOI: 10.7270/Q2N58PSV
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=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 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)


Article DOI: 10.1021/acs.jmedchem.7b01072
BindingDB Entry DOI: 10.7270/Q2N58PSV
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)


Article DOI: 10.1021/acs.jmedchem.7b01072
BindingDB Entry DOI: 10.7270/Q2N58PSV
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=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 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 6.4 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 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=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 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 6.4 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 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=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 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)


Article DOI: 10.1021/acs.jmedchem.7b01072
BindingDB Entry DOI: 10.7270/Q2N58PSV
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=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 3.47E+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)


Article DOI: 10.1021/acs.jmedchem.7b01072
BindingDB Entry DOI: 10.7270/Q2N58PSV
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)


Article DOI: 10.1021/acs.jmedchem.7b01072
BindingDB Entry DOI: 10.7270/Q2N58PSV
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=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 ASIC1a receptor expressed in xenopus lavies oocytes at pH 6.7 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 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=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 ASIC1a receptor expressed in xenopus lavies oocytes at pH 6.7 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 1


(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 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)


Article DOI: 10.1021/acs.jmedchem.7b01072
BindingDB Entry DOI: 10.7270/Q2N58PSV
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)


Article DOI: 10.1021/acs.jmedchem.7b01072
BindingDB Entry DOI: 10.7270/Q2N58PSV
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=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<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)


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