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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Acid-sensing ion channel 5' AND taxid = 10116   
Target
(Institution)
LigandTarget
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
Acid-sensing ion channel 5


(Rattus norvegicus)
BDBM17636
PNG
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Show SMILES OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)
UniProtKB/SwissProt

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PubMed
n/an/an/an/a 2.60E+6n/an/an/an/a



RWTH Aachen University

Curated by ChEMBL


Assay Description
Binding affinity to rat bile acid-sensitive ion channel expressed in xenopus oocytes


Bioorg Med Chem Lett 25: 4437-40 (2015)

More data for this
Ligand-Target Pair
Acid-sensing ion channel 5


(Rattus norvegicus)
BDBM50124575
PNG
(CHEMBL3623735)
Show SMILES OC(=O)c1ccccc1Nc1cccc(c1)S(F)(F)(F)(F)F
Show InChI InChI=1S/C13H10F5NO2S/c14-22(15,16,17,18)10-5-3-4-9(8-10)19-12-7-2-1-6-11(12)13(20)21/h1-8,19H,(H,20,21)
UniProtKB/SwissProt

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PubMed
n/an/an/an/a 1.40E+6n/an/an/an/a



RWTH Aachen University

Curated by ChEMBL


Assay Description
Binding affinity to rat bile acid-sensitive ion channel expressed in xenopus oocytes


Bioorg Med Chem Lett 25: 4437-40 (2015)

More data for this
Ligand-Target Pair
Acid-sensing ion channel 5


(Rattus norvegicus)
BDBM50124577
PNG
(CHEMBL3623738)
Show SMILES OC(=O)c1ccccc1Nc1ccc(cc1)S(F)(F)(F)(F)F
Show InChI InChI=1S/C13H10F5NO2S/c14-22(15,16,17,18)10-7-5-9(6-8-10)19-12-4-2-1-3-11(12)13(20)21/h1-8,19H,(H,20,21)
UniProtKB/SwissProt

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UniChem

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PubMed
n/an/an/an/a 2.60E+6n/an/an/an/a



RWTH Aachen University

Curated by ChEMBL


Assay Description
Binding affinity to rat bile acid-sensitive ion channel expressed in xenopus oocytes


Bioorg Med Chem Lett 25: 4437-40 (2015)

More data for this
Ligand-Target Pair
Acid-sensing ion channel 5


(Rattus norvegicus)
BDBM50124574
PNG
(CHEMBL3623737)
Show SMILES OC(=O)c1cccc(Nc2ccc(cc2)S(F)(F)(F)(F)F)c1
Show InChI InChI=1S/C13H10F5NO2S/c14-22(15,16,17,18)12-6-4-10(5-7-12)19-11-3-1-2-9(8-11)13(20)21/h1-8,19H,(H,20,21)
UniProtKB/SwissProt

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PubMed
n/an/an/an/a 2.80E+6n/an/an/an/a



RWTH Aachen University

Curated by ChEMBL


Assay Description
Binding affinity to rat bile acid-sensitive ion channel expressed in xenopus oocytes


Bioorg Med Chem Lett 25: 4437-40 (2015)

More data for this
Ligand-Target Pair
Acid-sensing ion channel 5


(Rattus norvegicus)
BDBM50124576
PNG
(CHEMBL3623736)
Show SMILES OC(=O)c1cccc(Nc2cccc(c2)S(F)(F)(F)(F)F)c1
Show InChI InChI=1S/C13H10F5NO2S/c14-22(15,16,17,18)12-6-2-5-11(8-12)19-10-4-1-3-9(7-10)13(20)21/h1-8,19H,(H,20,21)
UniProtKB/SwissProt

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PubMed
n/an/an/an/a 2.90E+6n/an/an/an/a



RWTH Aachen University

Curated by ChEMBL


Assay Description
Binding affinity to rat bile acid-sensitive ion channel expressed in xenopus oocytes


Bioorg Med Chem Lett 25: 4437-40 (2015)

More data for this
Ligand-Target Pair