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Compile Data Set for Download or QSAR

Found 58 hits with Last Name = 'wyle' and Initial = 'mj'   
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
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24198
PNG
(3-aminopropylphosphinic derivative, (R)-8 | [(2R)-...)
Show SMILES CP(O)(=O)C[C@H](F)CN
Show InChI InChI=1S/C4H11FNO2P/c1-9(7,8)3-4(5)2-6/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1
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4.30 -47.3n/an/a 14n/an/a7.422



AstraZeneca



Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24195
PNG
(3-aminopropylphosphinic derivative, (R)-7 | AZD335...)
Show SMILES NC[C@@H](F)CP(O)=O
Show InChI InChI=1S/C3H9FNO2P/c4-3(1-5)2-8(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m1/s1
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5.10 -46.9n/an/a 8.64n/an/a7.422



AstraZeneca



Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24193
PNG
((3-amino-2-fluoropropyl)phosphinic acid | 3-aminop...)
Show SMILES NCC(F)CP(O)=O
Show InChI InChI=1S/C3H9FNO2P/c4-3(1-5)2-8(6)7/h3,8H,1-2,5H2,(H,6,7)
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10 -45.2n/an/a 15n/an/a7.422



AstraZeneca



Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24196
PNG
((3-amino-2-fluoropropyl)(methyl)phosphinic acid | ...)
Show SMILES CP(O)(=O)CC(F)CN
Show InChI InChI=1S/C4H11FNO2P/c1-9(7,8)3-4(5)2-6/h4H,2-3,6H2,1H3,(H,7,8)
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14 -44.4n/an/a 23n/an/a7.422



AstraZeneca



Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24184
PNG
((3-aminopropyl)phosphinic acid | 3-aminopropylphos...)
Show SMILES NCCCP(O)=O
Show InChI InChI=1S/C3H10NO2P/c4-2-1-3-7(5)6/h7H,1-4H2,(H,5,6)
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15 -44.2n/an/a 19n/an/a7.422



AstraZeneca



Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24185
PNG
((3-aminopropyl)(methyl)phosphinic acid | 3-Apmpa |...)
Show SMILES CP(O)(=O)CCCN
Show InChI InChI=1S/C4H12NO2P/c1-8(6,7)4-2-3-5/h2-5H2,1H3,(H,6,7)
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33 -42.3n/an/a 41n/an/a7.422



AstraZeneca



Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24191
PNG
((3-amino-2-oxopropyl)phosphinic acid | (3-amino-2-...)
Show SMILES NCC(=O)CP(O)=O
Show InChI InChI=1S/C3H8NO3P/c4-1-3(5)2-8(6)7/h8H,1-2,4H2,(H,6,7)
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48 -41.4n/an/a 81n/an/a7.422



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Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24186
PNG
((3-amino-2-hydroxypropyl)phosphinic acid | 3-amino...)
Show SMILES NCC(=O)CP(O)O
Show InChI InChI=1S/C3H8NO3P/c4-1-3(5)2-8(6)7/h6-7H,1-2,4H2
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50 -41.3n/an/a 130n/an/a7.422



AstraZeneca



Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24194
PNG
(3-aminopropylphosphinic derivative, (S)-7 | [(2S)-...)
Show SMILES NC[C@H](F)CP(O)=O
Show InChI InChI=1S/C3H9FNO2P/c4-3(1-5)2-8(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1
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70 -40.4n/an/a 250n/an/a7.422



AstraZeneca



Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24186
PNG
((3-amino-2-hydroxypropyl)phosphinic acid | 3-amino...)
Show SMILES NCC(=O)CP(O)O
Show InChI InChI=1S/C3H8NO3P/c4-1-3(5)2-8(6)7/h6-7H,1-2,4H2
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94 -39.7n/an/a 220n/an/a7.422



AstraZeneca



Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24189
PNG
(3-aminopropylphosphinic derivative, (R)-4 | 3-amin...)
Show SMILES CP(O)(O)CC(=O)CN
Show InChI InChI=1S/C4H12NO3P/c1-9(7,8)3-4(6)2-5/h7-9H,2-3,5H2,1H3
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180 -38.1n/an/a 150n/an/a7.422



AstraZeneca



Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24192
PNG
((3-amino-2-oxopropyl)(methyl)phosphinic acid | (3-...)
Show SMILES CP(O)(=O)CC(=O)CN
Show InChI InChI=1S/C4H10NO3P/c1-9(7,8)3-4(6)2-5/h2-3,5H2,1H3,(H,7,8)
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200 -37.9n/an/a 270n/an/a7.422



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Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24182
PNG
(4-amino-3-(4-chlorophenyl)butanoic acid | Baclofen...)
Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
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220 -37.6n/an/a 750n/an/a7.422



AstraZeneca



Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24197
PNG
(3-aminopropylphosphinic derivative, (S)-8 | [(2S)-...)
Show SMILES CP(O)(=O)C[C@@H](F)CN
Show InChI InChI=1S/C4H11FNO2P/c1-9(7,8)3-4(5)2-6/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
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480 -35.7n/an/a 1.70E+3n/an/a7.422



AstraZeneca



Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24189
PNG
(3-aminopropylphosphinic derivative, (R)-4 | 3-amin...)
Show SMILES CP(O)(O)CC(=O)CN
Show InChI InChI=1S/C4H12NO3P/c1-9(7,8)3-4(6)2-5/h7-9H,2-3,5H2,1H3
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840 -34.3n/an/a 600n/an/a7.422



AstraZeneca



Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor


(Rattus norvegicus (rat))
BDBM24186
PNG
((3-amino-2-hydroxypropyl)phosphinic acid | 3-amino...)
Show SMILES NCC(=O)CP(O)O
Show InChI InChI=1S/C3H8NO3P/c4-1-3(5)2-8(6)7/h6-7H,1-2,4H2
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2.10E+3 -32.1n/an/a 1.10E+3n/an/a7.422



AstraZeneca



Assay Description
Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...


J Med Chem 51: 4315-20 (2008)


Article DOI: 10.1021/jm701425k
BindingDB Entry DOI: 10.7270/Q2M32T2T
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel alpha-subunit


(Homo sapiens (Human))
BDBM50190466
PNG
(CHEMBL212431 | N-(3,5-diamino-6-chloropyrazine-2-c...)
Show SMILES NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCCCCc1ccc(OCCCO)cc1
Show InChI InChI=1S/C19H26ClN7O3/c20-15-17(22)26-16(21)14(25-15)18(29)27-19(23)24-9-2-1-4-12-5-7-13(8-6-12)30-11-3-10-28/h5-8,28H,1-4,9-11H2,(H4,21,22,26)(H3,23,24,27,29)
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n/an/a 7n/an/an/an/an/an/a



Parion Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay


J Med Chem 49: 4098-115 (2006)


Article DOI: 10.1021/jm051134w
BindingDB Entry DOI: 10.7270/Q2FT8KNH
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel alpha-subunit


(Homo sapiens (Human))
BDBM50190487
PNG
(CHEMBL212531 | N-(3,5-diamino-6-chloropyrazine-2-c...)
Show SMILES NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCCCCc1ccc(OC[C@@H](O)CO)cc1
Show InChI InChI=1S/C19H26ClN7O4/c20-15-17(22)26-16(21)14(25-15)18(30)27-19(23)24-8-2-1-3-11-4-6-13(7-5-11)31-10-12(29)9-28/h4-7,12,28-29H,1-3,8-10H2,(H4,21,22,26)(H3,23,24,27,30)/t12-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Parion Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay


J Med Chem 49: 4098-115 (2006)


Article DOI: 10.1021/jm051134w
BindingDB Entry DOI: 10.7270/Q2FT8KNH
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel alpha-subunit


(Homo sapiens (Human))
BDBM50190462
PNG
(CHEMBL212432 | N-(3,5-diamino-6-chloropyrazine-2-c...)
Show SMILES NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCCCCc1ccc(OCC(O)CO)cc1
Show InChI InChI=1S/C19H26ClN7O4/c20-15-17(22)26-16(21)14(25-15)18(30)27-19(23)24-8-2-1-3-11-4-6-13(7-5-11)31-10-12(29)9-28/h4-7,12,28-29H,1-3,8-10H2,(H4,21,22,26)(H3,23,24,27,30)
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n/an/a 8n/an/an/an/an/an/a



Parion Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay


J Med Chem 49: 4098-115 (2006)


Article DOI: 10.1021/jm051134w
BindingDB Entry DOI: 10.7270/Q2FT8KNH
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel alpha-subunit


(Homo sapiens (Human))
BDBM50190486
PNG
(CHEMBL211161 | N-(3,5-diamino-6-chloropyrazine-2-c...)
Show SMILES NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCCCCc1ccc(OCCO)cc1
Show InChI InChI=1S/C18H24ClN7O3/c19-14-16(21)25-15(20)13(24-14)17(28)26-18(22)23-8-2-1-3-11-4-6-12(7-5-11)29-10-9-27/h4-7,27H,1-3,8-10H2,(H4,20,21,25)(H3,22,23,26,28)
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n/an/a 9n/an/an/an/an/an/a



Parion Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay


J Med Chem 49: 4098-115 (2006)


Article DOI: 10.1021/jm051134w
BindingDB Entry DOI: 10.7270/Q2FT8KNH
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel alpha-subunit


(Homo sapiens (Human))
BDBM50190494
PNG
(CHEMBL209303 | N-(3,5-diamino-6-chloropyrazine-2-c...)
Show SMILES NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCCCCc1ccc(OC[C@H](O)CO)cc1
Show InChI InChI=1S/C19H26ClN7O4/c20-15-17(22)26-16(21)14(25-15)18(30)27-19(23)24-8-2-1-3-11-4-6-13(7-5-11)31-10-12(29)9-28/h4-7,12,28-29H,1-3,8-10H2,(H4,21,22,26)(H3,23,24,27,30)/t12-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Parion Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay


J Med Chem 49: 4098-115 (2006)


Article DOI: 10.1021/jm051134w
BindingDB Entry DOI: 10.7270/Q2FT8KNH
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel alpha-subunit


(Homo sapiens (Human))
BDBM50190481
PNG
(CHEMBL214239 | N-(3,5-diamino-6-chloropyrazine-2-c...)
Show SMILES NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCCCCc1ccc(CO)cc1
Show InChI InChI=1S/C17H22ClN7O2/c18-13-15(20)24-14(19)12(23-13)16(27)25-17(21)22-8-2-1-3-10-4-6-11(9-26)7-5-10/h4-7,26H,1-3,8-9H2,(H4,19,20,24)(H3,21,22,25,27)
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n/an/a 14n/an/an/an/an/an/a



Parion Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay


J Med Chem 49: 4098-115 (2006)


Article DOI: 10.1021/jm051134w
BindingDB Entry DOI: 10.7270/Q2FT8KNH
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel alpha-subunit


(Homo sapiens (Human))
BDBM50190459
PNG
(CHEMBL377986 | N-(3,5-diamino-6-chloropyrazine-2-c...)
Show SMILES COc1ccc(CCCCN=C(N)NC(=O)c2nc(Cl)c(N)nc2N)cc1
Show InChI InChI=1S/C17H22ClN7O2/c1-27-11-7-5-10(6-8-11)4-2-3-9-22-17(21)25-16(26)12-14(19)24-15(20)13(18)23-12/h5-8H,2-4,9H2,1H3,(H4,19,20,24)(H3,21,22,25,26)
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n/an/a 15n/an/an/an/an/an/a



Parion Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay


J Med Chem 49: 4098-115 (2006)


Article DOI: 10.1021/jm051134w
BindingDB Entry DOI: 10.7270/Q2FT8KNH
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel alpha-subunit


(Homo sapiens (Human))
BDBM50190484
PNG
(CHEMBL210876 | N-(3,5-diamino-6-chloropyrazine-2-c...)
Show SMILES NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCCCCc1ccc(O)cc1
Show InChI InChI=1S/C16H20ClN7O2/c17-12-14(19)23-13(18)11(22-12)15(26)24-16(20)21-8-2-1-3-9-4-6-10(25)7-5-9/h4-7,25H,1-3,8H2,(H4,18,19,23)(H3,20,21,24,26)
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n/an/a 17n/an/an/an/an/an/a



Parion Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay


J Med Chem 49: 4098-115 (2006)


Article DOI: 10.1021/jm051134w
BindingDB Entry DOI: 10.7270/Q2FT8KNH
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel alpha-subunit


(Homo sapiens (Human))
BDBM50190468
PNG
(CHEMBL211600 | N-(3,5-diamino-6-chloropyrazine-2-c...)
Show SMILES NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCCCCc1cccc(OCCO)c1
Show InChI InChI=1S/C18H24ClN7O3/c19-14-16(21)25-15(20)13(24-14)17(28)26-18(22)23-7-2-1-4-11-5-3-6-12(10-11)29-9-8-27/h3,5-6,10,27H,1-2,4,7-9H2,(H4,20,21,25)(H3,22,23,26,28)
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n/an/a 17n/an/an/an/an/an/a



Parion Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay


J Med Chem 49: 4098-115 (2006)


Article DOI: 10.1021/jm051134w
BindingDB Entry DOI: 10.7270/Q2FT8KNH
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel alpha-subunit


(Homo sapiens (Human))
BDBM50190475
PNG
(CHEMBL380011 | N-(3,5-diamino-6-chloropyrazine-2-c...)
Show SMILES NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCCCCc1cccc(O)c1
Show InChI InChI=1S/C16H20ClN7O2/c17-12-14(19)23-13(18)11(22-12)15(26)24-16(20)21-7-2-1-4-9-5-3-6-10(25)8-9/h3,5-6,8,25H,1-2,4,7H2,(H4,18,19,23)(H3,20,21,24,26)
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n/an/a 20n/an/an/an/an/an/a



Parion Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay


J Med Chem 49: 4098-115 (2006)


Article DOI: 10.1021/jm051134w
BindingDB Entry DOI: 10.7270/Q2FT8KNH
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel alpha-subunit


(Homo sapiens (Human))
BDBM50190489
PNG
((4-{4-[N-(3,5-diamino-6-chloropyrazine-2-carbonyl)...)
Show SMILES NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCCCCc1ccc(OCCC(O)=O)cc1
Show InChI InChI=1S/C19H24ClN7O4/c20-15-17(22)26-16(21)14(25-15)18(30)27-19(23)24-9-2-1-3-11-4-6-12(7-5-11)31-10-8-13(28)29/h4-7H,1-3,8-10H2,(H,28,29)(H4,21,22,26)(H3,23,24,27,30)
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n/an/a 20n/an/an/an/an/an/a



Parion Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay


J Med Chem 49: 4098-115 (2006)


Article DOI: 10.1021/jm051134w
BindingDB Entry DOI: 10.7270/Q2FT8KNH
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel alpha-subunit


(Homo sapiens (Human))
BDBM50190465
PNG
(1-(4-(4-aminophenyl)butyl)-3-(3,5-diamino-2-chloro...)
Show SMILES NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCCCCc1ccc(N)cc1
Show InChI InChI=1S/C16H21ClN8O/c17-12-14(20)24-13(19)11(23-12)15(26)25-16(21)22-8-2-1-3-9-4-6-10(18)7-5-9/h4-7H,1-3,8,18H2,(H4,19,20,24)(H3,21,22,25,26)
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n/an/a 21n/an/an/an/an/an/a



Parion Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay


J Med Chem 49: 4098-115 (2006)


Article DOI: 10.1021/jm051134w
BindingDB Entry DOI: 10.7270/Q2FT8KNH
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel alpha-subunit


(Homo sapiens (Human))
BDBM50190458
PNG
(CHEMBL386222 | sulfuric acid mono-(4-{4-[N-(3,5-di...)
Show SMILES NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCCCCc1ccc(cc1)S(O)(=O)=O
Show InChI InChI=1S/C16H20ClN7O4S/c17-12-14(19)23-13(18)11(22-12)15(25)24-16(20)21-8-2-1-3-9-4-6-10(7-5-9)29(26,27)28/h4-7H,1-3,8H2,(H4,18,19,23)(H,26,27,28)(H3,20,21,24,25)
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n/an/a 21n/an/an/an/an/an/a



Parion Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay


J Med Chem 49: 4098-115 (2006)


Article DOI: 10.1021/jm051134w
BindingDB Entry DOI: 10.7270/Q2FT8KNH
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel alpha-subunit


(Homo sapiens (Human))
BDBM50190488
PNG
(4-{4-[N'-(3,5-diamino-6-chloropyrazine-2-carbonyl)...)
Show SMILES COC(=O)c1ccc(CCCCN=C(N)NC(=O)c2nc(Cl)c(N)nc2N)cc1
Show InChI InChI=1S/C18H22ClN7O3/c1-29-17(28)11-7-5-10(6-8-11)4-2-3-9-23-18(22)26-16(27)12-14(20)25-15(21)13(19)24-12/h5-8H,2-4,9H2,1H3,(H4,20,21,25)(H3,22,23,26,27)
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n/an/a 22n/an/an/an/an/an/a



Parion Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay


J Med Chem 49: 4098-115 (2006)


Article DOI: 10.1021/jm051134w
BindingDB Entry DOI: 10.7270/Q2FT8KNH
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel alpha-subunit


(Homo sapiens (Human))
BDBM50190480
PNG
(CHEMBL214220 | N-(3,5-diamino-6-chloropyrazine-2-c...)
Show SMILES COc1ccc(OCCCN=C(N)NC(=O)c2nc(Cl)c(N)nc2N)cc1
Show InChI InChI=1S/C16H20ClN7O3/c1-26-9-3-5-10(6-4-9)27-8-2-7-21-16(20)24-15(25)11-13(18)23-14(19)12(17)22-11/h3-6H,2,7-8H2,1H3,(H4,18,19,23)(H3,20,21,24,25)
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n/an/a 25n/an/an/an/an/an/a



Parion Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay


J Med Chem 49: 4098-115 (2006)


Article DOI: 10.1021/jm051134w
BindingDB Entry DOI: 10.7270/Q2FT8KNH
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel alpha-subunit


(Homo sapiens (Human))
BDBM50190490
PNG
(CHEMBL212534 | N-(3,5-diamino-6-chloropyrazine-2-c...)
Show SMILES NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCCCCc1cccc(OCC(O)CO)c1
Show InChI InChI=1S/C19H26ClN7O4/c20-15-17(22)26-16(21)14(25-15)18(30)27-19(23)24-7-2-1-4-11-5-3-6-13(8-11)31-10-12(29)9-28/h3,5-6,8,12,28-29H,1-2,4,7,9-10H2,(H4,21,22,26)(H3,23,24,27,30)
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n/an/a 26n/an/an/an/an/an/a



Parion Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay


J Med Chem 49: 4098-115 (2006)


Article DOI: 10.1021/jm051134w
BindingDB Entry DOI: 10.7270/Q2FT8KNH
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel alpha-subunit


(Homo sapiens (Human))
BDBM50190493
PNG
(CHEMBL211658 | N-(3,5-diamino-6-chloropyrazine-2-c...)
Show SMILES NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCCCCc1ccccc1OCC(O)CO
Show InChI InChI=1S/C19H26ClN7O4/c20-15-17(22)26-16(21)14(25-15)18(30)27-19(23)24-8-4-3-6-11-5-1-2-7-13(11)31-10-12(29)9-28/h1-2,5,7,12,28-29H,3-4,6,8-10H2,(H4,21,22,26)(H3,23,24,27,30)
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n/an/a 28n/an/an/an/an/an/a



Parion Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay


J Med Chem 49: 4098-115 (2006)


Article DOI: 10.1021/jm051134w
BindingDB Entry DOI: 10.7270/Q2FT8KNH
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel alpha-subunit


(Homo sapiens (Human))
BDBM50190456
PNG
(CHEMBL209659 | N-(3,5-diamino-6-chloropyrazine-2-c...)
Show SMILES NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCCCCc1ccccc1
Show InChI InChI=1S/C16H20ClN7O/c17-12-14(19)23-13(18)11(22-12)15(25)24-16(20)21-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H4,18,19,23)(H3,20,21,24,25)
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n/an/a 29n/an/an/an/an/an/a



Parion Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay


J Med Chem 49: 4098-115 (2006)


Article DOI: 10.1021/jm051134w
BindingDB Entry DOI: 10.7270/Q2FT8KNH
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel alpha-subunit


(Homo sapiens (Human))
BDBM50190471
PNG
(CHEMBL379066 | N-(3,5-diamino-6-chloropyrazine-2-c...)
Show SMILES NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCCCCc1ccccc1O
Show InChI InChI=1S/C16H20ClN7O2/c17-12-14(19)23-13(18)11(22-12)15(26)24-16(20)21-8-4-3-6-9-5-1-2-7-10(9)25/h1-2,5,7,25H,3-4,6,8H2,(H4,18,19,23)(H3,20,21,24,26)
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n/an/a 30n/an/an/an/an/an/a



Parion Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay


J Med Chem 49: 4098-115 (2006)


Article DOI: 10.1021/jm051134w
BindingDB Entry DOI: 10.7270/Q2FT8KNH
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel alpha-subunit


(Homo sapiens (Human))
BDBM50190455
PNG
(CHEMBL208889 | N-(3,5-diamino-6-chloropyrazine-2-c...)
Show SMILES NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCCCCc1ccccc1OCCO
Show InChI InChI=1S/C18H24ClN7O3/c19-14-16(21)25-15(20)13(24-14)17(28)26-18(22)23-8-4-3-6-11-5-1-2-7-12(11)29-10-9-27/h1-2,5,7,27H,3-4,6,8-10H2,(H4,20,21,25)(H3,22,23,26,28)
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n/an/a 31n/an/an/an/an/an/a



Parion Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay


J Med Chem 49: 4098-115 (2006)


Article DOI: 10.1021/jm051134w
BindingDB Entry DOI: 10.7270/Q2FT8KNH
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel alpha-subunit


(Homo sapiens (Human))
BDBM50190478
PNG
(CHEMBL211946 | N-(3,5-diamino-6-chloropyrazine-2-c...)
Show SMILES NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCCCOc1ccc(O)cc1
Show InChI InChI=1S/C15H18ClN7O3/c16-11-13(18)22-12(17)10(21-11)14(25)23-15(19)20-6-1-7-26-9-4-2-8(24)3-5-9/h2-5,24H,1,6-7H2,(H4,17,18,22)(H3,19,20,23,25)
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n/an/a 32n/an/an/an/an/an/a



Parion Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay


J Med Chem 49: 4098-115 (2006)


Article DOI: 10.1021/jm051134w
BindingDB Entry DOI: 10.7270/Q2FT8KNH
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel alpha-subunit


(Homo sapiens (Human))
BDBM50190460
PNG
(CHEMBL211773 | N-(3,5-diamino-6-chloropyrazine-2-c...)
Show SMILES COc1ccc(COCCN=C(N)NC(=O)c2nc(Cl)c(N)nc2N)cc1
Show InChI InChI=1S/C16H20ClN7O3/c1-26-10-4-2-9(3-5-10)8-27-7-6-21-16(20)24-15(25)11-13(18)23-14(19)12(17)22-11/h2-5H,6-8H2,1H3,(H4,18,19,23)(H3,20,21,24,25)
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n/an/a 41n/an/an/an/an/an/a



Parion Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay


J Med Chem 49: 4098-115 (2006)


Article DOI: 10.1021/jm051134w
BindingDB Entry DOI: 10.7270/Q2FT8KNH
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel alpha-subunit


(Homo sapiens (Human))
BDBM50190457
PNG
(CHEMBL211072 | N-(3,5-diamino-6-chloropyrazine-2-c...)
Show SMILES NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCCCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C16H20ClN7O3/c17-12-14(19)23-13(18)11(22-12)15(27)24-16(20)21-6-2-1-3-8-4-5-9(25)10(26)7-8/h4-5,7,25-26H,1-3,6H2,(H4,18,19,23)(H3,20,21,24,27)
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n/an/a 42n/an/an/an/an/an/a



Parion Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay


J Med Chem 49: 4098-115 (2006)


Article DOI: 10.1021/jm051134w
BindingDB Entry DOI: 10.7270/Q2FT8KNH
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel alpha-subunit


(Homo sapiens (Human))
BDBM50190483
PNG
((4-{4-[N-(3,5-diamino-6-chloropyrazine-2-carbonyl)...)
Show SMILES NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCCCCc1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C18H22ClN7O4/c19-14-16(21)25-15(20)13(24-14)17(29)26-18(22)23-8-2-1-3-10-4-6-11(7-5-10)30-9-12(27)28/h4-7H,1-3,8-9H2,(H,27,28)(H4,20,21,25)(H3,22,23,26,29)
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n/an/a 48n/an/an/an/an/an/a



Parion Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay


J Med Chem 49: 4098-115 (2006)


Article DOI: 10.1021/jm051134w
BindingDB Entry DOI: 10.7270/Q2FT8KNH
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel alpha-subunit


(Homo sapiens (Human))
BDBM50190479
PNG
(CHEMBL211664 | N-(3,5-diamino-6-chloropyrazine-2-c...)
Show SMILES NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCCCc1ccccc1
Show InChI InChI=1S/C15H18ClN7O/c16-11-13(18)22-12(17)10(21-11)14(24)23-15(19)20-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H4,17,18,22)(H3,19,20,23,24)
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n/an/a 50n/an/an/an/an/an/a



Parion Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay


J Med Chem 49: 4098-115 (2006)


Article DOI: 10.1021/jm051134w
BindingDB Entry DOI: 10.7270/Q2FT8KNH
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel alpha-subunit


(Homo sapiens (Human))
BDBM50190477
PNG
(4-{4-[N'-(3,5-diamino-6-chloropyrazine-2-carbonyl)...)
Show SMILES NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCCCCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C17H20ClN7O3/c18-12-14(20)24-13(19)11(23-12)15(26)25-17(21)22-8-2-1-3-9-4-6-10(7-5-9)16(27)28/h4-7H,1-3,8H2,(H,27,28)(H4,19,20,24)(H3,21,22,25,26)
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n/an/a 51n/an/an/an/an/an/a



Parion Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay


J Med Chem 49: 4098-115 (2006)


Article DOI: 10.1021/jm051134w
BindingDB Entry DOI: 10.7270/Q2FT8KNH
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel alpha-subunit


(Homo sapiens (Human))
BDBM50190461
PNG
(CHEMBL208620 | N-(3,5-diamino-6-chloropyrazine-2-c...)
Show SMILES NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCCCCCCc1ccccc1
Show InChI InChI=1S/C18H24ClN7O/c19-14-16(21)25-15(20)13(24-14)17(27)26-18(22)23-11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2,(H4,20,21,25)(H3,22,23,26,27)
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n/an/a 58n/an/an/an/an/an/a



Parion Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay


J Med Chem 49: 4098-115 (2006)


Article DOI: 10.1021/jm051134w
BindingDB Entry DOI: 10.7270/Q2FT8KNH
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel alpha-subunit


(Homo sapiens (Human))
BDBM50190463
PNG
(CHEMBL209977 | N-(3,5-diamino-6-chloropyrazine-2-c...)
Show SMILES NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCCc1ccc(O)cc1
Show InChI InChI=1S/C14H16ClN7O2/c15-10-12(17)21-11(16)9(20-10)13(24)22-14(18)19-6-5-7-1-3-8(23)4-2-7/h1-4,23H,5-6H2,(H4,16,17,21)(H3,18,19,22,24)
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n/an/a 62n/an/an/an/an/an/a



Parion Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay


J Med Chem 49: 4098-115 (2006)


Article DOI: 10.1021/jm051134w
BindingDB Entry DOI: 10.7270/Q2FT8KNH
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel alpha-subunit


(Homo sapiens (Human))
BDBM50190464
PNG
(1-(3,5-diamino-2-chloropyrazine-6-carbonyl)-3-(5-(...)
Show SMILES NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCCCCCc1ccc(O)cc1
Show InChI InChI=1S/C17H22ClN7O2/c18-13-15(20)24-14(19)12(23-13)16(27)25-17(21)22-9-3-1-2-4-10-5-7-11(26)8-6-10/h5-8,26H,1-4,9H2,(H4,19,20,24)(H3,21,22,25,27)
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n/an/a 64n/an/an/an/an/an/a



Parion Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay


J Med Chem 49: 4098-115 (2006)


Article DOI: 10.1021/jm051134w
BindingDB Entry DOI: 10.7270/Q2FT8KNH
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel alpha-subunit


(Homo sapiens (Human))
BDBM81819
PNG
(Benzamil | CAS_1937-37-7 | CHEMBL212579 | NSC_1081...)
Show SMILES NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCc1ccccc1
Show InChI InChI=1S/C13H14ClN7O/c14-9-11(16)20-10(15)8(19-9)12(22)21-13(17)18-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,15,16,20)(H3,17,18,21,22)
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n/an/a 66n/an/an/an/an/an/a



Parion Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay


J Med Chem 49: 4098-115 (2006)


Article DOI: 10.1021/jm051134w
BindingDB Entry DOI: 10.7270/Q2FT8KNH
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel alpha-subunit


(Homo sapiens (Human))
BDBM50190485
PNG
(CHEMBL211611 | N-(3,5-diamino-6-chloropyrazine-2-c...)
Show SMILES NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCCc1ccccc1
Show InChI InChI=1S/C14H16ClN7O/c15-10-12(17)21-11(16)9(20-10)13(23)22-14(18)19-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H4,16,17,21)(H3,18,19,22,23)
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n/an/a 66n/an/an/an/an/an/a



Parion Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay


J Med Chem 49: 4098-115 (2006)


Article DOI: 10.1021/jm051134w
BindingDB Entry DOI: 10.7270/Q2FT8KNH
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel alpha-subunit


(Homo sapiens (Human))
BDBM50190470
PNG
(CHEMBL377239 | N-(3,5-diamino-6-chloropyrazine-2-c...)
Show SMILES NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCCCCCc1ccccc1
Show InChI InChI=1S/C17H22ClN7O/c18-13-15(20)24-14(19)12(23-13)16(26)25-17(21)22-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H4,19,20,24)(H3,21,22,25,26)
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n/an/a 68n/an/an/an/an/an/a



Parion Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay


J Med Chem 49: 4098-115 (2006)


Article DOI: 10.1021/jm051134w
BindingDB Entry DOI: 10.7270/Q2FT8KNH
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel alpha-subunit


(Homo sapiens (Human))
BDBM50190474
PNG
(6-(4-{4-[N'-(3,5-diamino-6-chloropyrazine-2-carbon...)
Show SMILES NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCCCCc1ccc(OC2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)cc1
Show InChI InChI=1S/C22H28ClN7O8/c23-16-18(25)29-17(24)11(28-16)19(34)30-22(26)27-8-2-1-3-9-4-6-10(7-5-9)37-21-14(33)12(31)13(32)15(38-21)20(35)36/h4-7,12-15,21,31-33H,1-3,8H2,(H,35,36)(H4,24,25,29)(H3,26,27,30,34)/t12-,13-,14+,15-,21?/m0/s1
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n/an/a 73n/an/an/an/an/an/a



Parion Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay


J Med Chem 49: 4098-115 (2006)


Article DOI: 10.1021/jm051134w
BindingDB Entry DOI: 10.7270/Q2FT8KNH
More data for this
Ligand-Target Pair
Amiloride-sensitive sodium channel alpha-subunit


(Homo sapiens (Human))
BDBM50190495
PNG
(CHEMBL209104 | N-(3,5-diamino-6-chloropyrazine-2-c...)
Show SMILES COc1ccc(CCCCCN=C(N)NC(=O)c2nc(Cl)c(N)nc2N)cc1
Show InChI InChI=1S/C18H24ClN7O2/c1-28-12-8-6-11(7-9-12)5-3-2-4-10-23-18(22)26-17(27)13-15(20)25-16(21)14(19)24-13/h6-9H,2-5,10H2,1H3,(H4,20,21,25)(H3,22,23,26,27)
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n/an/a 77n/an/an/an/an/an/a



Parion Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay


J Med Chem 49: 4098-115 (2006)


Article DOI: 10.1021/jm051134w
BindingDB Entry DOI: 10.7270/Q2FT8KNH
More data for this
Ligand-Target Pair
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