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Compile Data Set for Download or QSAR

Found 26 hits with Last Name = 'fadayel' and Initial = 'gm'   
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
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50194360
PNG
((E)-thyl-1-methyl-6,7-dihydro-1H-indol-4(5H)-one O...)
Show SMILES CCc1c(CC)n(C)c2CCCC(=NOC(=O)Nc3ccccc3)c12 |w:13.13|
Show InChI InChI=1S/C20H25N3O2/c1-4-15-17(5-2)23(3)18-13-9-12-16(19(15)18)22-25-20(24)21-14-10-7-6-8-11-14/h6-8,10-11H,4-5,9,12-13H2,1-3H3,(H,21,24)
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n/an/a 21n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 expressed in LTK- cells by whole cell patch clamp assay


Bioorg Med Chem Lett 16: 5855-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.059
BindingDB Entry DOI: 10.7270/Q2057FJJ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50194358
PNG
((E)--2-methyl-6,7-dihydro-1H-indol-4(5H)-one O-phe...)
Show SMILES CCc1c(C)[nH]c2CCCC(=NOC(=O)Nc3ccccc3)c12 |w:11.11|
Show InChI InChI=1S/C18H21N3O2/c1-3-14-12(2)19-15-10-7-11-16(17(14)15)21-23-18(22)20-13-8-5-4-6-9-13/h4-6,8-9,19H,3,7,10-11H2,1-2H3,(H,20,22)
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n/an/a 67n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 expressed in LTK- cells by whole cell patch clamp assay


Bioorg Med Chem Lett 16: 5855-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.059
BindingDB Entry DOI: 10.7270/Q2057FJJ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50194321
PNG
((E)-2-(3-ethyl-2-methyl-6,7-dihydro-1H-indol-4(5H)...)
Show SMILES CCc1c(C)[nH]c2CCCC(=NNC(=O)Nc3ccccc3)c12 |w:11.11|
Show InChI InChI=1S/C18H22N4O/c1-3-14-12(2)19-15-10-7-11-16(17(14)15)21-22-18(23)20-13-8-5-4-6-9-13/h4-6,8-9,19H,3,7,10-11H2,1-2H3,(H2,20,22,23)
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n/an/a 130n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 expressed in LTK- cells by whole cell patch clamp assay


Bioorg Med Chem Lett 16: 5859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.057
BindingDB Entry DOI: 10.7270/Q23X868Z
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50194319
PNG
((E)-N-(4-chlorophenyl)-2-(3-ethyl-2-methyl-6,7-dih...)
Show SMILES CCc1c(C)[nH]c2CCCC(=NN(C)C(=O)Nc3ccc(Cl)cc3)c12 |w:11.11|
Show InChI InChI=1S/C19H23ClN4O/c1-4-15-12(2)21-16-6-5-7-17(18(15)16)23-24(3)19(25)22-14-10-8-13(20)9-11-14/h8-11,21H,4-7H2,1-3H3,(H,22,25)
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n/an/a 130n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 expressed in LTK- cells by whole cell patch clamp assay


Bioorg Med Chem Lett 16: 5859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.057
BindingDB Entry DOI: 10.7270/Q23X868Z
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50189954
PNG
(2-(3,4-dimethylphenyl)-3-(2-(4-methoxycyclohexa-2,...)
Show SMILES COC1=CCC(CCN2C(SCC2=O)c2ccc(C)c(C)c2)C=C1 |c:24,t:2|
Show InChI InChI=1S/C20H25NO2S/c1-14-4-7-17(12-15(14)2)20-21(19(22)13-24-20)11-10-16-5-8-18(23-3)9-6-16/h4-5,7-9,12,16,20H,6,10-11,13H2,1-3H3
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n/an/a 137n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Blockade of Kv1.5 channel expressed in LTK cells by patch clamp method


Bioorg Med Chem Lett 16: 4629-32 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.001
BindingDB Entry DOI: 10.7270/Q2HQ3ZHZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50195804
PNG
(1-[1-(3,4-dimethylphenyl)cyclopropyl]-2-[2-(4-meth...)
Show SMILES COc1ccc(CCn2nnn[n+]2C2(CC2)c2ccc(C)c(C)c2)cc1
Show InChI InChI=1S/C20H24N5O/c1-15-4-7-18(14-16(15)2)20(11-12-20)25-23-21-22-24(25)13-10-17-5-8-19(26-3)9-6-17/h4-9,14H,10-13H2,1-3H3/q+1
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n/an/a 180n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 expressed in LTK- cells by whole cell patch clamp assay


Bioorg Med Chem Lett 16: 6213-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.021
BindingDB Entry DOI: 10.7270/Q21V5DNX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50194318
PNG
((E)-2-(3-ethyl-2-methyl-6,7-dihydro-1H-indol-4(5H)...)
Show SMILES CCc1c(C)[nH]c2CCCC(=NNC(=S)Nc3cccc(c3)C(F)(F)F)c12 |w:11.11|
Show InChI InChI=1S/C19H21F3N4S/c1-3-14-11(2)23-15-8-5-9-16(17(14)15)25-26-18(27)24-13-7-4-6-12(10-13)19(20,21)22/h4,6-7,10,23H,3,5,8-9H2,1-2H3,(H2,24,26,27)
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n/an/a 200n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 expressed in LTK- cells by whole cell patch clamp assay


Bioorg Med Chem Lett 16: 5859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.057
BindingDB Entry DOI: 10.7270/Q23X868Z
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50194357
PNG
((E)--2-methyl-6,7-dihydro-1H-indol-4(5H)-one O-4-f...)
Show SMILES CCc1c(C)[nH]c2CCCC(=NOC(=O)Nc3ccc(F)cc3)c12 |w:11.11|
Show InChI InChI=1S/C18H20FN3O2/c1-3-14-11(2)20-15-5-4-6-16(17(14)15)22-24-18(23)21-13-9-7-12(19)8-10-13/h7-10,20H,3-6H2,1-2H3,(H,21,23)
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n/an/a 275n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 expressed in LTK- cells by whole cell patch clamp assay


Bioorg Med Chem Lett 16: 5855-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.059
BindingDB Entry DOI: 10.7270/Q2057FJJ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50194325
PNG
((E)-2-(3-ethyl-2-methyl-6,7-dihydro-1H-indol-4(5H)...)
Show SMILES CCc1c(C)[nH]c2CCCC(=NNC(=O)Nc3ccc(SC)cc3)c12 |w:11.11|
Show InChI InChI=1S/C19H24N4OS/c1-4-15-12(2)20-16-6-5-7-17(18(15)16)22-23-19(24)21-13-8-10-14(25-3)11-9-13/h8-11,20H,4-7H2,1-3H3,(H2,21,23,24)
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n/an/a 280n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 expressed in LTK- cells by whole cell patch clamp assay


Bioorg Med Chem Lett 16: 5859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.057
BindingDB Entry DOI: 10.7270/Q23X868Z
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50189955
PNG
((2-(4-methoxyphenethyl)-2H-1,2,3-triazol-4-yl)(3,4...)
Show SMILES COc1ccc(CCn2ncc(n2)C(=O)c2ccc(C)c(C)c2)cc1
Show InChI InChI=1S/C20H21N3O2/c1-14-4-7-17(12-15(14)2)20(24)19-13-21-23(22-19)11-10-16-5-8-18(25-3)9-6-16/h4-9,12-13H,10-11H2,1-3H3
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n/an/a 294n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Blockade of Kv1.5 channel expressed in LTK cells by patch clamp method


Bioorg Med Chem Lett 16: 4629-32 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.001
BindingDB Entry DOI: 10.7270/Q2HQ3ZHZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50195802
PNG
(1-(2,3-dimethylphenyl)-2-[2-(4-methoxyphenyl)ethyl...)
Show SMILES COc1ccc(CCn2nnn[n+]2-c2cccc(C)c2C)cc1
Show InChI InChI=1S/C17H20N5O/c1-13-5-4-6-17(14(13)2)22-20-18-19-21(22)12-11-15-7-9-16(23-3)10-8-15/h4-10H,11-12H2,1-3H3/q+1
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n/an/a 330n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 expressed in LTK- cells by whole cell patch clamp assay


Bioorg Med Chem Lett 16: 6213-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.021
BindingDB Entry DOI: 10.7270/Q21V5DNX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50195800
PNG
(2-[2-(4-methoxyphenyl)ethyl]-1-[1-(4-methylphenyl)...)
Show SMILES COc1ccc(CCn2nnn[n+]2C2(CC2)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C19H22N5O/c1-15-3-7-17(8-4-15)19(12-13-19)24-22-20-21-23(24)14-11-16-5-9-18(25-2)10-6-16/h3-10H,11-14H2,1-2H3/q+1
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Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 expressed in LTK- cells by whole cell patch clamp assay


Bioorg Med Chem Lett 16: 6213-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.021
BindingDB Entry DOI: 10.7270/Q21V5DNX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50194361
PNG
((E)--2-methyl-6,7-dihydro-1H-indol-4(5H)-one O-4-(...)
Show SMILES CCc1c(C)[nH]c2CCCC(=NOC(=O)Nc3ccc(SC)cc3)c12 |w:11.11|
Show InChI InChI=1S/C19H23N3O2S/c1-4-15-12(2)20-16-6-5-7-17(18(15)16)22-24-19(23)21-13-8-10-14(25-3)11-9-13/h8-11,20H,4-7H2,1-3H3,(H,21,23)
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n/an/a 350n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 expressed in LTK- cells by whole cell patch clamp assay


Bioorg Med Chem Lett 16: 5855-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.059
BindingDB Entry DOI: 10.7270/Q2057FJJ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50194362
PNG
((E)-1-(4-((3-ethyl-1,2-dimethyl-6,7-dihydro-1H-ind...)
Show SMILES CCc1c(C)n(C)c2CCCC(=NOC(=O)Nc3ccc(cc3)C(C)=O)c12 |w:12.12|
Show InChI InChI=1S/C21H25N3O3/c1-5-17-13(2)24(4)19-8-6-7-18(20(17)19)23-27-21(26)22-16-11-9-15(10-12-16)14(3)25/h9-12H,5-8H2,1-4H3,(H,22,26)
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n/an/a 368n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 expressed in LTK- cells by whole cell patch clamp assay


Bioorg Med Chem Lett 16: 5855-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.059
BindingDB Entry DOI: 10.7270/Q2057FJJ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50194317
PNG
((E)-N-(4-chlorophenyl)-2-(2,3-dimethyl-6,7-dihydro...)
Show SMILES Cc1[nH]c2CCCC(=NNC(=O)Nc3ccc(Cl)cc3)c2c1C |w:8.8|
Show InChI InChI=1S/C17H19ClN4O/c1-10-11(2)19-14-4-3-5-15(16(10)14)21-22-17(23)20-13-8-6-12(18)7-9-13/h6-9,19H,3-5H2,1-2H3,(H2,20,22,23)
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n/an/a 370n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 expressed in LTK- cells by whole cell patch clamp assay


Bioorg Med Chem Lett 16: 5859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.057
BindingDB Entry DOI: 10.7270/Q23X868Z
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50194324
PNG
((E)-N-(4-acetylphenyl)-2-(2,3-diethyl-1-methyl-6,7...)
Show SMILES CCc1c(CC)n(C)c2CCCC(=NN(C)C(=O)Nc3ccc(cc3)C(C)=O)c12 |w:13.13|
Show InChI InChI=1S/C23H30N4O2/c1-6-18-20(7-2)26(4)21-10-8-9-19(22(18)21)25-27(5)23(29)24-17-13-11-16(12-14-17)15(3)28/h11-14H,6-10H2,1-5H3,(H,24,29)
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n/an/a 370n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 expressed in LTK- cells by whole cell patch clamp assay


Bioorg Med Chem Lett 16: 5859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.057
BindingDB Entry DOI: 10.7270/Q23X868Z
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50195801
PNG
(2-[2-(4-methoxyphenyl)ethyl]-1-[1-(4-methylphenyl)...)
Show SMILES COc1ccc(CCn2nnn[n+]2C2(CCCC2)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C21H26N5O/c1-17-5-9-19(10-6-17)21(14-3-4-15-21)26-24-22-23-25(26)16-13-18-7-11-20(27-2)12-8-18/h5-12H,3-4,13-16H2,1-2H3/q+1
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Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 expressed in LTK- cells by whole cell patch clamp assay


Bioorg Med Chem Lett 16: 6213-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.021
BindingDB Entry DOI: 10.7270/Q21V5DNX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50194322
PNG
((E)-N-(4-chlorophenyl)-2-(3-ethyl-2-methyl-6,7-dih...)
Show SMILES CCc1c(C)[nH]c2CCCC(=NNC(=O)Nc3ccc(Cl)cc3)c12 |w:11.11|
Show InChI InChI=1S/C18H21ClN4O/c1-3-14-11(2)20-15-5-4-6-16(17(14)15)22-23-18(24)21-13-9-7-12(19)8-10-13/h7-10,20H,3-6H2,1-2H3,(H2,21,23,24)
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n/an/a 440n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 expressed in LTK- cells by whole cell patch clamp assay


Bioorg Med Chem Lett 16: 5859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.057
BindingDB Entry DOI: 10.7270/Q23X868Z
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50195805
PNG
(1-[1-(4-methylphenyl)cyclopropyl]-2-(3-phenylpropy...)
Show SMILES Cc1ccc(cc1)C1(CC1)[n+]1nnnn1CCCc1ccccc1
Show InChI InChI=1S/C19H22N5/c1-16-9-11-18(12-10-16)19(13-14-19)24-22-20-21-23(24)15-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12H,5,8,13-15H2,1H3/q+1
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Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 expressed in LTK- cells by whole cell patch clamp assay


Bioorg Med Chem Lett 16: 6213-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.021
BindingDB Entry DOI: 10.7270/Q21V5DNX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50194359
PNG
((E)--2-methyl-6,7-dihydro-1H-indol-4(5H)-one O-2-(...)
Show SMILES CCc1c(C)[nH]c2CCCC(=NOC(=O)NCCc3ccccn3)c12 |w:11.11|
Show InChI InChI=1S/C19H24N4O2/c1-3-15-13(2)22-16-8-6-9-17(18(15)16)23-25-19(24)21-12-10-14-7-4-5-11-20-14/h4-5,7,11,22H,3,6,8-10,12H2,1-2H3,(H,21,24)
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n/an/a 547n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 expressed in LTK- cells by whole cell patch clamp assay


Bioorg Med Chem Lett 16: 5855-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.059
BindingDB Entry DOI: 10.7270/Q2057FJJ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50195803
PNG
(1-(3,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)ethyl...)
Show SMILES COc1ccc(CCn2nnn[n+]2-c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C15H14Cl2N5O/c1-23-13-5-2-11(3-6-13)8-9-21-19-18-20-22(21)12-4-7-14(16)15(17)10-12/h2-7,10H,8-9H2,1H3/q+1
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n/an/a 550n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 expressed in LTK- cells by whole cell patch clamp assay


Bioorg Med Chem Lett 16: 6213-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.021
BindingDB Entry DOI: 10.7270/Q21V5DNX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50194323
PNG
((E)-2-(3-ethyl-2-methyl-6,7-dihydro-1H-indol-4(5H)...)
Show SMILES CCc1c(C)[nH]c2CCCC(=NNC(=O)Nc3cccc(c3)C3CCCN3)c12 |w:11.11|
Show InChI InChI=1S/C22H29N5O/c1-3-17-14(2)24-19-9-5-10-20(21(17)19)26-27-22(28)25-16-8-4-7-15(13-16)18-11-6-12-23-18/h4,7-8,13,18,23-24H,3,5-6,9-12H2,1-2H3,(H2,25,27,28)
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n/an/a 750n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 expressed in LTK- cells by whole cell patch clamp assay


Bioorg Med Chem Lett 16: 5859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.057
BindingDB Entry DOI: 10.7270/Q23X868Z
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50194320
PNG
((E)-N-(4-chlorophenyl)-2-(6,7-dihydro-1H-indol-4(5...)
Show SMILES Clc1ccc(NC(=O)NN=C2CCCc3[nH]ccc23)cc1 |w:9.8|
Show InChI InChI=1S/C15H15ClN4O/c16-10-4-6-11(7-5-10)18-15(21)20-19-14-3-1-2-13-12(14)8-9-17-13/h4-9,17H,1-3H2,(H2,18,20,21)
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n/an/a 5.60E+3n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 expressed in LTK- cells by whole cell patch clamp assay


Bioorg Med Chem Lett 16: 5859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.057
BindingDB Entry DOI: 10.7270/Q23X868Z
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50194321
PNG
((E)-2-(3-ethyl-2-methyl-6,7-dihydro-1H-indol-4(5H)...)
Show SMILES CCc1c(C)[nH]c2CCCC(=NNC(=O)Nc3ccccc3)c12 |w:11.11|
Show InChI InChI=1S/C18H22N4O/c1-3-14-12(2)19-15-10-7-11-16(17(14)15)21-22-18(23)20-13-8-5-4-6-9-13/h4-6,8-9,19H,3,7,10-11H2,1-2H3,(H2,20,22,23)
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n/an/a 2.10E+4n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of hERG expressed in HEK cells by whole cell patch clamp assay


Bioorg Med Chem Lett 16: 5859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.057
BindingDB Entry DOI: 10.7270/Q23X868Z
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50194360
PNG
((E)-thyl-1-methyl-6,7-dihydro-1H-indol-4(5H)-one O...)
Show SMILES CCc1c(CC)n(C)c2CCCC(=NOC(=O)Nc3ccccc3)c12 |w:13.13|
Show InChI InChI=1S/C20H25N3O2/c1-4-15-17(5-2)23(3)18-13-9-12-16(19(15)18)22-25-20(24)21-14-10-7-6-8-11-14/h6-8,10-11H,4-5,9,12-13H2,1-3H3,(H,21,24)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of hERG expressed in HEK cells by whole cell patch clamp assay


Bioorg Med Chem Lett 16: 5855-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.059
BindingDB Entry DOI: 10.7270/Q2057FJJ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50194358
PNG
((E)--2-methyl-6,7-dihydro-1H-indol-4(5H)-one O-phe...)
Show SMILES CCc1c(C)[nH]c2CCCC(=NOC(=O)Nc3ccccc3)c12 |w:11.11|
Show InChI InChI=1S/C18H21N3O2/c1-3-14-12(2)19-15-10-7-11-16(17(14)15)21-23-18(22)20-13-8-5-4-6-9-13/h4-6,8-9,19H,3,7,10-11H2,1-2H3,(H,20,22)
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of hERG expressed in HEK cells by whole cell patch clamp assay


Bioorg Med Chem Lett 16: 5855-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.059
BindingDB Entry DOI: 10.7270/Q2057FJJ
More data for this
Ligand-Target Pair