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PubMed code 16439123

Compile data set for download or QSAR
Found 25 hits of Enzyme Inhibition Constant Data   
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
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM24060
PNG
((2S)-2-amino-2-cyclopropyl-1-[(2S)-4-(2,5-difluoro...)
Show SMILES [H][C@]1(C=C(CN1C(=O)[C@@H](N)C1CC1)c1cc(F)ccc1F)c1ccccc1 |r,c:2|
Show InChI InChI=1S/C21H20F2N2O/c22-16-8-9-18(23)17(11-16)15-10-19(13-4-2-1-3-5-13)25(12-15)21(26)20(24)14-6-7-14/h1-5,8-11,14,19-20H,6-7,12,24H2/t19-,20-/m0/s1
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PubMed
n/an/a 2n/an/an/an/a7.023



Merck Research Laboratories



Assay Description
The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...


Bioorg Med Chem Lett 16: 1775-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.030
BindingDB Entry DOI: 10.7270/Q27W69HG
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM24054
PNG
((2S)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-N-(p...)
Show SMILES [H][C@]1(C=C(CN1C(=O)N(C)C1CCNCC1)c1cc(F)ccc1F)c1ccccc1 |r,c:2|
Show InChI InChI=1S/C23H25F2N3O/c1-27(19-9-11-26-12-10-19)23(29)28-15-17(20-14-18(24)7-8-21(20)25)13-22(28)16-5-3-2-4-6-16/h2-8,13-14,19,22,26H,9-12,15H2,1H3/t22-/m0/s1
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n/an/a 2.60n/an/an/an/a7.023



Merck Research Laboratories



Assay Description
The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...


Bioorg Med Chem Lett 16: 1775-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.030
BindingDB Entry DOI: 10.7270/Q27W69HG
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM24061
PNG
((2S)-2-amino-1-[(2S)-4-(2,5-difluorophenyl)-2-phen...)
Show SMILES [H][C@]1(C=C(CN1C(=O)[C@@H](N)C(C)(C)C)c1cc(F)ccc1F)c1ccccc1 |r,c:2|
Show InChI InChI=1S/C22H24F2N2O/c1-22(2,3)20(25)21(27)26-13-15(17-12-16(23)9-10-18(17)24)11-19(26)14-7-5-4-6-8-14/h4-12,19-20H,13,25H2,1-3H3/t19-,20+/m0/s1
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n/an/a 2.70n/an/an/an/a7.023



Merck Research Laboratories



Assay Description
The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...


Bioorg Med Chem Lett 16: 1775-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.030
BindingDB Entry DOI: 10.7270/Q27W69HG
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM24058
PNG
((2S)-2-amino-1-[(2S)-4-(2,5-difluorophenyl)-2-phen...)
Show SMILES [H][C@]1(C=C(CN1C(=O)[C@@H](N)C(C)C)c1cc(F)ccc1F)c1ccccc1 |r,c:2|
Show InChI InChI=1S/C21H22F2N2O/c1-13(2)20(24)21(26)25-12-15(17-11-16(22)8-9-18(17)23)10-19(25)14-6-4-3-5-7-14/h3-11,13,19-20H,12,24H2,1-2H3/t19-,20-/m0/s1
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PubMed
n/an/a 3.60n/an/an/an/a7.023



Merck Research Laboratories



Assay Description
The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...


Bioorg Med Chem Lett 16: 1775-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.030
BindingDB Entry DOI: 10.7270/Q27W69HG
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM24057
PNG
(3-amino-1-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,...)
Show SMILES [H][C@]1(C=C(CN1C(=O)C(C)(C)CN)c1cc(F)ccc1F)c1ccccc1 |r,c:2|
Show InChI InChI=1S/C21H22F2N2O/c1-21(2,13-24)20(26)25-12-15(17-11-16(22)8-9-18(17)23)10-19(25)14-6-4-3-5-7-14/h3-11,19H,12-13,24H2,1-2H3/t19-/m0/s1
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n/an/a 5.20n/an/an/an/a7.023



Merck Research Laboratories



Assay Description
The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...


Bioorg Med Chem Lett 16: 1775-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.030
BindingDB Entry DOI: 10.7270/Q27W69HG
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM24062
PNG
(2-hydroxyethyl N-[(2S)-1-[(2S)-4-(2,5-difluorophen...)
Show SMILES [H][C@]1(C=C(CN1C(=O)[C@@H](NC(=O)OCCO)C(C)(C)C)c1cc(F)ccc1F)c1ccccc1 |r,c:2|
Show InChI InChI=1S/C25H28F2N2O4/c1-25(2,3)22(28-24(32)33-12-11-30)23(31)29-15-17(19-14-18(26)9-10-20(19)27)13-21(29)16-7-5-4-6-8-16/h4-10,13-14,21-22,30H,11-12,15H2,1-3H3,(H,28,32)/t21-,22+/m0/s1
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n/an/a 7.40n/an/an/an/a7.023



Merck Research Laboratories



Assay Description
The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...


Bioorg Med Chem Lett 16: 1775-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.030
BindingDB Entry DOI: 10.7270/Q27W69HG
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM24063
PNG
((2S)-2-cyclopropyl-1-[(2S)-4-(2,5-difluorophenyl)-...)
Show SMILES [H][C@]1(C=C(CN1C(=O)[C@@H](O)C1CC1)c1cc(F)ccc1F)c1ccccc1 |r,c:2|
Show InChI InChI=1S/C21H19F2NO2/c22-16-8-9-18(23)17(11-16)15-10-19(13-4-2-1-3-5-13)24(12-15)21(26)20(25)14-6-7-14/h1-5,8-11,14,19-20,25H,6-7,12H2/t19-,20-/m0/s1
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n/an/a 11n/an/an/an/a7.023



Merck Research Laboratories



Assay Description
The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...


Bioorg Med Chem Lett 16: 1775-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.030
BindingDB Entry DOI: 10.7270/Q27W69HG
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM24056
PNG
((2S)-N-(3-aminopropyl)-4-(2,5-difluorophenyl)-N-me...)
Show SMILES [H][C@]1(C=C(CN1C(=O)N(C)CCCN)c1cc(F)ccc1F)c1ccccc1 |r,c:2|
Show InChI InChI=1S/C21H23F2N3O/c1-25(11-5-10-24)21(27)26-14-16(18-13-17(22)8-9-19(18)23)12-20(26)15-6-3-2-4-7-15/h2-4,6-9,12-13,20H,5,10-11,14,24H2,1H3/t20-/m0/s1
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n/an/a 16n/an/an/an/a7.023



Merck Research Laboratories



Assay Description
The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...


Bioorg Med Chem Lett 16: 1775-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.030
BindingDB Entry DOI: 10.7270/Q27W69HG
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM24052
PNG
((2S)-4-(2,5-difluorophenyl)-N,N-dimethyl-2-phenyl-...)
Show SMILES [H][C@]1(C=C(CN1C(=O)N(C)C)c1cc(F)ccc1F)c1ccccc1 |r,c:2|
Show InChI InChI=1S/C19H18F2N2O/c1-22(2)19(24)23-12-14(16-11-15(20)8-9-17(16)21)10-18(23)13-6-4-3-5-7-13/h3-11,18H,12H2,1-2H3/t18-/m0/s1
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n/an/a 38n/an/an/an/a7.023



Merck Research Laboratories



Assay Description
The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...


Bioorg Med Chem Lett 16: 1775-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.030
BindingDB Entry DOI: 10.7270/Q27W69HG
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM24055
PNG
((2S)-4-(2,5-difluorophenyl)-N-(1-acetylpiperidin-4...)
Show SMILES [H][C@]1(C=C(CN1C(=O)N(C)C1CCN(CC1)C(C)=O)c1cc(F)ccc1F)c1ccccc1 |r,c:2|
Show InChI InChI=1S/C25H27F2N3O2/c1-17(31)29-12-10-21(11-13-29)28(2)25(32)30-16-19(22-15-20(26)8-9-23(22)27)14-24(30)18-6-4-3-5-7-18/h3-9,14-15,21,24H,10-13,16H2,1-2H3/t24-/m0/s1
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n/an/a 50n/an/an/an/a7.023



Merck Research Laboratories



Assay Description
The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...


Bioorg Med Chem Lett 16: 1775-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.030
BindingDB Entry DOI: 10.7270/Q27W69HG
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM24053
PNG
(3-(2,5-difluorophenyl)-N,N-dimethyl-5-phenyl-4,5-d...)
Show SMILES CN(C)C(=O)N1N=C(CC1c1ccccc1)c1cc(F)ccc1F |c:6|
Show InChI InChI=1S/C18H17F2N3O/c1-22(2)18(24)23-17(12-6-4-3-5-7-12)11-16(21-23)14-10-13(19)8-9-15(14)20/h3-10,17H,11H2,1-2H3
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n/an/a 84n/an/an/an/a7.023



Merck Research Laboratories



Assay Description
The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...


Bioorg Med Chem Lett 16: 1775-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.030
BindingDB Entry DOI: 10.7270/Q27W69HG
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM24050
PNG
(1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-...)
Show SMILES CC(C)(C)C(=O)N1CC(=CC1c1ccccc1)c1cc(F)ccc1F |c:8|
Show InChI InChI=1S/C21H21F2NO/c1-21(2,3)20(25)24-13-15(17-12-16(22)9-10-18(17)23)11-19(24)14-7-5-4-6-8-14/h4-12,19H,13H2,1-3H3
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n/an/a 85n/an/an/an/a7.023



Merck Research Laboratories



Assay Description
The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...


Bioorg Med Chem Lett 16: 1775-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.030
BindingDB Entry DOI: 10.7270/Q27W69HG
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM24049
PNG
(1-[3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydro-1H-...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1cc(F)ccc1F |c:4|
Show InChI InChI=1S/C17H14F2N2O/c1-11(22)21-17(12-5-3-2-4-6-12)10-16(20-21)14-9-13(18)7-8-15(14)19/h2-9,17H,10H2,1H3
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n/an/a 94n/an/an/an/a7.023



Merck Research Laboratories



Assay Description
The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...


Bioorg Med Chem Lett 16: 1775-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.030
BindingDB Entry DOI: 10.7270/Q27W69HG
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM24051
PNG
(1-[3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydro-1H-...)
Show SMILES CC(C)(C)C(=O)N1N=C(CC1c1ccccc1)c1cc(F)ccc1F |c:7|
Show InChI InChI=1S/C20H20F2N2O/c1-20(2,3)19(25)24-18(13-7-5-4-6-8-13)12-17(23-24)15-11-14(21)9-10-16(15)22/h4-11,18H,12H2,1-3H3
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n/an/a 113n/an/an/an/a7.023



Merck Research Laboratories



Assay Description
The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...


Bioorg Med Chem Lett 16: 1775-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.030
BindingDB Entry DOI: 10.7270/Q27W69HG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM24056
PNG
((2S)-N-(3-aminopropyl)-4-(2,5-difluorophenyl)-N-me...)
Show SMILES [H][C@]1(C=C(CN1C(=O)N(C)CCCN)c1cc(F)ccc1F)c1ccccc1 |r,c:2|
Show InChI InChI=1S/C21H23F2N3O/c1-25(11-5-10-24)21(27)26-14-16(18-13-17(22)8-9-19(18)23)12-20(26)15-6-3-2-4-7-15/h2-4,6-9,12-13,20H,5,10-11,14,24H2,1H3/t20-/m0/s1
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n/an/a 1.30E+3n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
The hERG IC50 values were determined by radioligand competition experiments using membrane preparations from human embryonic kidney cells that stably...


Bioorg Med Chem Lett 16: 1775-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.030
BindingDB Entry DOI: 10.7270/Q27W69HG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM24054
PNG
((2S)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-N-(p...)
Show SMILES [H][C@]1(C=C(CN1C(=O)N(C)C1CCNCC1)c1cc(F)ccc1F)c1ccccc1 |r,c:2|
Show InChI InChI=1S/C23H25F2N3O/c1-27(19-9-11-26-12-10-19)23(29)28-15-17(20-14-18(24)7-8-21(20)25)13-22(28)16-5-3-2-4-6-16/h2-8,13-14,19,22,26H,9-12,15H2,1H3/t22-/m0/s1
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n/an/a 1.30E+3n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
The hERG IC50 values were determined by radioligand competition experiments using membrane preparations from human embryonic kidney cells that stably...


Bioorg Med Chem Lett 16: 1775-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.030
BindingDB Entry DOI: 10.7270/Q27W69HG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM24061
PNG
((2S)-2-amino-1-[(2S)-4-(2,5-difluorophenyl)-2-phen...)
Show SMILES [H][C@]1(C=C(CN1C(=O)[C@@H](N)C(C)(C)C)c1cc(F)ccc1F)c1ccccc1 |r,c:2|
Show InChI InChI=1S/C22H24F2N2O/c1-22(2,3)20(25)21(27)26-13-15(17-12-16(23)9-10-18(17)24)11-19(26)14-7-5-4-6-8-14/h4-12,19-20H,13,25H2,1-3H3/t19-,20+/m0/s1
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n/an/a 1.50E+3n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
The hERG IC50 values were determined by radioligand competition experiments using membrane preparations from human embryonic kidney cells that stably...


Bioorg Med Chem Lett 16: 1775-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.030
BindingDB Entry DOI: 10.7270/Q27W69HG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM24057
PNG
(3-amino-1-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,...)
Show SMILES [H][C@]1(C=C(CN1C(=O)C(C)(C)CN)c1cc(F)ccc1F)c1ccccc1 |r,c:2|
Show InChI InChI=1S/C21H22F2N2O/c1-21(2,13-24)20(26)25-12-15(17-11-16(22)8-9-18(17)23)10-19(25)14-6-4-3-5-7-14/h3-11,19H,12-13,24H2,1-2H3/t19-/m0/s1
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n/an/a 2.20E+3n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
The hERG IC50 values were determined by radioligand competition experiments using membrane preparations from human embryonic kidney cells that stably...


Bioorg Med Chem Lett 16: 1775-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.030
BindingDB Entry DOI: 10.7270/Q27W69HG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM24058
PNG
((2S)-2-amino-1-[(2S)-4-(2,5-difluorophenyl)-2-phen...)
Show SMILES [H][C@]1(C=C(CN1C(=O)[C@@H](N)C(C)C)c1cc(F)ccc1F)c1ccccc1 |r,c:2|
Show InChI InChI=1S/C21H22F2N2O/c1-13(2)20(24)21(26)25-12-15(17-11-16(22)8-9-18(17)23)10-19(25)14-6-4-3-5-7-14/h3-11,13,19-20H,12,24H2,1-2H3/t19-,20-/m0/s1
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n/an/a 2.40E+3n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
The hERG IC50 values were determined by radioligand competition experiments using membrane preparations from human embryonic kidney cells that stably...


Bioorg Med Chem Lett 16: 1775-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.030
BindingDB Entry DOI: 10.7270/Q27W69HG
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM24059
PNG
((2R)-2-amino-1-[(2S)-4-(2,5-difluorophenyl)-2-phen...)
Show SMILES [H][C@]1(C=C(CN1C(=O)[C@H](N)C(C)C)c1cc(F)ccc1F)c1ccccc1 |r,c:2|
Show InChI InChI=1S/C21H22F2N2O/c1-13(2)20(24)21(26)25-12-15(17-11-16(22)8-9-18(17)23)10-19(25)14-6-4-3-5-7-14/h3-11,13,19-20H,12,24H2,1-2H3/t19-,20+/m0/s1
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n/an/a 3.10E+3n/an/an/an/a7.023



Merck Research Laboratories



Assay Description
The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...


Bioorg Med Chem Lett 16: 1775-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.030
BindingDB Entry DOI: 10.7270/Q27W69HG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM24060
PNG
((2S)-2-amino-2-cyclopropyl-1-[(2S)-4-(2,5-difluoro...)
Show SMILES [H][C@]1(C=C(CN1C(=O)[C@@H](N)C1CC1)c1cc(F)ccc1F)c1ccccc1 |r,c:2|
Show InChI InChI=1S/C21H20F2N2O/c22-16-8-9-18(23)17(11-16)15-10-19(13-4-2-1-3-5-13)25(12-15)21(26)20(24)14-6-7-14/h1-5,8-11,14,19-20H,6-7,12,24H2/t19-,20-/m0/s1
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n/an/a 3.50E+3n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
The hERG IC50 values were determined by radioligand competition experiments using membrane preparations from human embryonic kidney cells that stably...


Bioorg Med Chem Lett 16: 1775-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.030
BindingDB Entry DOI: 10.7270/Q27W69HG
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM24048
PNG
(1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-...)
Show SMILES CC(=O)N1CC(=CC1c1ccccc1)c1cc(F)ccc1F |c:5|
Show InChI InChI=1S/C18H15F2NO/c1-12(22)21-11-14(16-10-15(19)7-8-17(16)20)9-18(21)13-5-3-2-4-6-13/h2-10,18H,11H2,1H3
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n/an/a 4.00E+3n/an/an/an/a7.023



Merck Research Laboratories



Assay Description
The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...


Bioorg Med Chem Lett 16: 1775-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.030
BindingDB Entry DOI: 10.7270/Q27W69HG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM24055
PNG
((2S)-4-(2,5-difluorophenyl)-N-(1-acetylpiperidin-4...)
Show SMILES [H][C@]1(C=C(CN1C(=O)N(C)C1CCN(CC1)C(C)=O)c1cc(F)ccc1F)c1ccccc1 |r,c:2|
Show InChI InChI=1S/C25H27F2N3O2/c1-17(31)29-12-10-21(11-13-29)28(2)25(32)30-16-19(22-15-20(26)8-9-23(22)27)14-24(30)18-6-4-3-5-7-18/h3-9,14-15,21,24H,10-13,16H2,1-2H3/t24-/m0/s1
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n/an/a>1.00E+4n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
The hERG IC50 values were determined by radioligand competition experiments using membrane preparations from human embryonic kidney cells that stably...


Bioorg Med Chem Lett 16: 1775-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.030
BindingDB Entry DOI: 10.7270/Q27W69HG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM24063
PNG
((2S)-2-cyclopropyl-1-[(2S)-4-(2,5-difluorophenyl)-...)
Show SMILES [H][C@]1(C=C(CN1C(=O)[C@@H](O)C1CC1)c1cc(F)ccc1F)c1ccccc1 |r,c:2|
Show InChI InChI=1S/C21H19F2NO2/c22-16-8-9-18(23)17(11-16)15-10-19(13-4-2-1-3-5-13)24(12-15)21(26)20(25)14-6-7-14/h1-5,8-11,14,19-20,25H,6-7,12H2/t19-,20-/m0/s1
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n/an/a 1.10E+4n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
The hERG IC50 values were determined by radioligand competition experiments using membrane preparations from human embryonic kidney cells that stably...


Bioorg Med Chem Lett 16: 1775-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.030
BindingDB Entry DOI: 10.7270/Q27W69HG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM24062
PNG
(2-hydroxyethyl N-[(2S)-1-[(2S)-4-(2,5-difluorophen...)
Show SMILES [H][C@]1(C=C(CN1C(=O)[C@@H](NC(=O)OCCO)C(C)(C)C)c1cc(F)ccc1F)c1ccccc1 |r,c:2|
Show InChI InChI=1S/C25H28F2N2O4/c1-25(2,3)22(28-24(32)33-12-11-30)23(31)29-15-17(19-14-18(26)9-10-20(19)27)13-21(29)16-7-5-4-6-8-16/h4-10,13-14,21-22,30H,11-12,15H2,1-3H3,(H,28,32)/t21-,22+/m0/s1
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n/an/a 2.50E+4n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
The hERG IC50 values were determined by radioligand competition experiments using membrane preparations from human embryonic kidney cells that stably...


Bioorg Med Chem Lett 16: 1775-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.030
BindingDB Entry DOI: 10.7270/Q27W69HG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%