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Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with Target = 'cGMP-gated cation channel alpha 1' AND taxid = 9913   
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
cGMP-gated cation channel alpha 1


(Bos taurus)
BDBM50172537
PNG
((3-Amino-propyl)-[2-(4-butylamino-benzoyloxy)-ethy...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCC[N+](C)(C)CCC[NH3+]
Show InChI InChI=1S/C18H31N3O2/c1-4-5-12-20-17-9-7-16(8-10-17)18(22)23-15-14-21(2,3)13-6-11-19/h7-10H,4-6,11-15,19H2,1-3H3/p+2
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n/an/an/a 74n/an/an/an/an/a



Oregon Health and Science University

Curated by ChEMBL


Assay Description
Apparent dissociation constant against Cyclic nucleotide gated channel alpha 1 at +40 mV


J Med Chem 48: 5805-12 (2005)

More data for this
Ligand-Target Pair
cGMP-gated cation channel alpha 1


(Bos taurus)
BDBM50017659
PNG
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
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n/an/an/a 1.20E+4n/an/an/an/an/a



Oregon Health and Science University

Curated by ChEMBL


Assay Description
Apparent dissociation constant against Cyclic nucleotide gated channel alpha 1 at 0 mV


J Med Chem 48: 5805-12 (2005)

More data for this
Ligand-Target Pair
cGMP-gated cation channel alpha 1


(Bos taurus)
BDBM50172539
PNG
(4-[(4-{[2-(dimethylammonio)ethoxy]carbonyl}phenyl)...)
Show SMILES C[NH+](C)CCOC(=O)c1ccc(NCCCC[NH3+])cc1
Show InChI InChI=1S/C15H25N3O2/c1-18(2)11-12-20-15(19)13-5-7-14(8-6-13)17-10-4-3-9-16/h5-8,17H,3-4,9-12,16H2,1-2H3/p+2
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n/an/an/a 2.10E+5n/an/an/an/an/a



Oregon Health and Science University

Curated by ChEMBL


Assay Description
Apparent dissociation constant against Cyclic nucleotide gated channel alpha 1 at +40 mV


J Med Chem 48: 5805-12 (2005)

More data for this
Ligand-Target Pair
cGMP-gated cation channel alpha 1


(Bos taurus)
BDBM50017659
PNG
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
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n/an/an/a 6.80E+3n/an/an/an/an/a



Oregon Health and Science University

Curated by ChEMBL


Assay Description
Apparent dissociation constant against Cyclic nucleotide gated channel alpha 1 at +40 mV


J Med Chem 48: 5805-12 (2005)

More data for this
Ligand-Target Pair
cGMP-gated cation channel alpha 1


(Bos taurus)
BDBM50172540
PNG
([2-(4-Amino-benzoyloxy)-ethyl]-dimethyl-ammonium)
Show SMILES C[NH+](C)CCOC(=O)c1ccc(N)cc1
Show InChI InChI=1S/C11H16N2O2/c1-13(2)7-8-15-11(14)9-3-5-10(12)6-4-9/h3-6H,7-8,12H2,1-2H3/p+1
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n/an/an/a 2.30E+6n/an/an/an/an/a



Oregon Health and Science University

Curated by ChEMBL


Assay Description
Apparent dissociation constant against Cyclic nucleotide gated channel alpha 1 at +40 mV


J Med Chem 48: 5805-12 (2005)

More data for this
Ligand-Target Pair
cGMP-gated cation channel alpha 1


(Bos taurus)
BDBM50172541
PNG
(CHEMBL197404 | [3-(3-Amino-propylamino)-propyl]-[2...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCC[N+](C)(C)CCC[NH2+]CCC[NH3+]
Show InChI InChI=1S/C21H38N4O2/c1-4-5-15-24-20-10-8-19(9-11-20)21(26)27-18-17-25(2,3)16-7-14-23-13-6-12-22/h8-11,23H,4-7,12-18,22H2,1-3H3/p+3
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n/an/an/a 0.0300n/an/an/an/an/a



Oregon Health and Science University

Curated by ChEMBL


Assay Description
Apparent dissociation constant against Cyclic nucleotide gated channel alpha 1 at +40 mV


J Med Chem 48: 5805-12 (2005)

More data for this
Ligand-Target Pair
cGMP-gated cation channel alpha 1


(Bos taurus)
BDBM50172536
PNG
(Butyl-[2-(4-butylamino-benzoyloxy)-ethyl]-dimethyl...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCC[N+](C)(C)CCCC
Show InChI InChI=1S/C19H32N2O2/c1-5-7-13-20-18-11-9-17(10-12-18)19(22)23-16-15-21(3,4)14-8-6-2/h9-12H,5-8,13-16H2,1-4H3/p+1
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n/an/an/a 3.10E+3n/an/an/an/an/a



Oregon Health and Science University

Curated by ChEMBL


Assay Description
Apparent dissociation constant against Cyclic nucleotide gated channel alpha 1 at +40 mV


J Med Chem 48: 5805-12 (2005)

More data for this
Ligand-Target Pair
cGMP-gated cation channel alpha 1


(Bos taurus)
BDBM50172542
PNG
({2-[4-(4-Acetylamino-butylamino)-benzoyloxy]-ethyl...)
Show SMILES C[NH+](C)CCOC(=O)c1ccc(NCCCCNC(C)=O)cc1
Show InChI InChI=1S/C17H27N3O3/c1-14(21)18-10-4-5-11-19-16-8-6-15(7-9-16)17(22)23-13-12-20(2)3/h6-9,19H,4-5,10-13H2,1-3H3,(H,18,21)/p+1
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n/an/an/a 4.00E+6n/an/an/an/an/a



Oregon Health and Science University

Curated by ChEMBL


Assay Description
Apparent dissociation constant against Cyclic nucleotide gated channel alpha 1 at 0 mV


J Med Chem 48: 5805-12 (2005)

More data for this
Ligand-Target Pair
cGMP-gated cation channel alpha 1


(Bos taurus)
BDBM50172537
PNG
((3-Amino-propyl)-[2-(4-butylamino-benzoyloxy)-ethy...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCC[N+](C)(C)CCC[NH3+]
Show InChI InChI=1S/C18H31N3O2/c1-4-5-12-20-17-9-7-16(8-10-17)18(22)23-15-14-21(2,3)13-6-11-19/h7-10H,4-6,11-15,19H2,1-3H3/p+2
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n/an/an/a 1.40E+3n/an/an/an/an/a



Oregon Health and Science University

Curated by ChEMBL


Assay Description
Apparent dissociation constant against Cyclic nucleotide gated channel alpha 1 at 0 mV


J Med Chem 48: 5805-12 (2005)

More data for this
Ligand-Target Pair
cGMP-gated cation channel alpha 1


(Bos taurus)
BDBM50172539
PNG
(4-[(4-{[2-(dimethylammonio)ethoxy]carbonyl}phenyl)...)
Show SMILES C[NH+](C)CCOC(=O)c1ccc(NCCCC[NH3+])cc1
Show InChI InChI=1S/C15H25N3O2/c1-18(2)11-12-20-15(19)13-5-7-14(8-6-13)17-10-4-3-9-16/h5-8,17H,3-4,9-12,16H2,1-2H3/p+2
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n/an/an/a 9.70E+5n/an/an/an/an/a



Oregon Health and Science University

Curated by ChEMBL


Assay Description
Apparent dissociation constant against Cyclic nucleotide gated channel alpha 1 at 0 mV


J Med Chem 48: 5805-12 (2005)

More data for this
Ligand-Target Pair
cGMP-gated cation channel alpha 1


(Bos taurus)
BDBM50172540
PNG
([2-(4-Amino-benzoyloxy)-ethyl]-dimethyl-ammonium)
Show SMILES C[NH+](C)CCOC(=O)c1ccc(N)cc1
Show InChI InChI=1S/C11H16N2O2/c1-13(2)7-8-15-11(14)9-3-5-10(12)6-4-9/h3-6H,7-8,12H2,1-2H3/p+1
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n/an/an/a 1.00E+7n/an/an/an/an/a



Oregon Health and Science University

Curated by ChEMBL


Assay Description
Apparent dissociation constant against Cyclic nucleotide gated channel alpha 1 at 0 mV


J Med Chem 48: 5805-12 (2005)

More data for this
Ligand-Target Pair
cGMP-gated cation channel alpha 1


(Bos taurus)
BDBM50172536
PNG
(Butyl-[2-(4-butylamino-benzoyloxy)-ethyl]-dimethyl...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCC[N+](C)(C)CCCC
Show InChI InChI=1S/C19H32N2O2/c1-5-7-13-20-18-11-9-17(10-12-18)19(22)23-16-15-21(3,4)14-8-6-2/h9-12H,5-8,13-16H2,1-4H3/p+1
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n/an/an/a 5.40E+3n/an/an/an/an/a



Oregon Health and Science University

Curated by ChEMBL


Assay Description
Apparent dissociation constant against Cyclic nucleotide gated channel alpha 1 at 0 mV


J Med Chem 48: 5805-12 (2005)

More data for this
Ligand-Target Pair
cGMP-gated cation channel alpha 1


(Bos taurus)
BDBM50172542
PNG
({2-[4-(4-Acetylamino-butylamino)-benzoyloxy]-ethyl...)
Show SMILES C[NH+](C)CCOC(=O)c1ccc(NCCCCNC(C)=O)cc1
Show InChI InChI=1S/C17H27N3O3/c1-14(21)18-10-4-5-11-19-16-8-6-15(7-9-16)17(22)23-13-12-20(2)3/h6-9,19H,4-5,10-13H2,1-3H3,(H,18,21)/p+1
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n/an/an/a 2.50E+6n/an/an/an/an/a



Oregon Health and Science University

Curated by ChEMBL


Assay Description
Apparent dissociation constant against Cyclic nucleotide gated channel alpha 1 at +40 mV


J Med Chem 48: 5805-12 (2005)

More data for this
Ligand-Target Pair
cGMP-gated cation channel alpha 1


(Bos taurus)
BDBM50172541
PNG
(CHEMBL197404 | [3-(3-Amino-propylamino)-propyl]-[2...)
Show SMILES CCCCNc1ccc(cc1)C(=O)OCC[N+](C)(C)CCC[NH2+]CCC[NH3+]
Show InChI InChI=1S/C21H38N4O2/c1-4-5-15-24-20-10-8-19(9-11-20)21(26)27-18-17-25(2,3)16-7-14-23-13-6-12-22/h8-11,23H,4-7,12-18,22H2,1-3H3/p+3
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n/an/an/a 6.90n/an/an/an/an/a



Oregon Health and Science University

Curated by ChEMBL


Assay Description
Apparent dissociation constant against Cyclic nucleotide gated channel alpha 1 at 0 mV


J Med Chem 48: 5805-12 (2005)

More data for this
Ligand-Target Pair