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6 similar compounds to monomer 24063

Compile data set for download or QSAR
Wt: 356.4
BDBM24058
Wt: 356.4
BDBM24059
Wt: 354.3
BDBM24060
Wt: 370.4
BDBM24061
Wt: 387.4
BDBM50181137
Wt: 371.3
BDBM50181141

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 24058,24059,24060,24061,50181137,50181141   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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 (ADAMTS-5)


(Homo sapiens (Human))
BDBM24058
PNG
((2S)-2-amino-1-[(2S)-4-(2,5-difluorophenyl)-2-phen...)
Show SMILES CC(C)[C@H](N)C(=O)N1CC(=C[C@H]1c1ccccc1)c1cc(F)ccc1F
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 3.60n/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 (ADAMTS-5)


(Homo sapiens (Human))
BDBM24059
PNG
((2R)-2-amino-1-[(2S)-4-(2,5-difluorophenyl)-2-phen...)
Show SMILES CC(C)[C@@H](N)C(=O)N1CC(=C[C@H]1c1ccccc1)c1cc(F)ccc1F
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
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM24060
PNG
((2S)-2-amino-2-cyclopropyl-1-[(2S)-4-(2,5-difluoro...)
Show SMILES N[C@@H](C1CC1)C(=O)N1CC(=C[C@H]1c1ccccc1)c1cc(F)ccc1F
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 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 (ADAMTS-5)


(Homo sapiens (Human))
BDBM24061
PNG
((2S)-2-amino-1-[(2S)-4-(2,5-difluorophenyl)-2-phen...)
Show SMILES CC(C)(C)[C@H](N)C(=O)N1CC(=C[C@H]1c1ccccc1)c1cc(F)ccc1F
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
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 CC(C)[C@H](N)C(=O)N1CC(=C[C@H]1c1ccccc1)c1cc(F)ccc1F
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
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 N[C@@H](C1CC1)C(=O)N1CC(=C[C@H]1c1ccccc1)c1cc(F)ccc1F
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
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM24060
PNG
((2S)-2-amino-2-cyclopropyl-1-[(2S)-4-(2,5-difluoro...)
Show SMILES N[C@@H](C1CC1)C(=O)N1CC(=C[C@H]1c1ccccc1)c1cc(F)ccc1F
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 2n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of KSP


Bioorg Med Chem Lett 17: 722-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.083
BindingDB Entry DOI: 10.7270/Q2HT2Q4S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50181137
PNG
((S)-1-((S)-4-(2,5-difluorophenyl)-2-(3-hydroxyphen...)
Show SMILES CC(C)(C)[C@H](O)C(=O)N1CC(=C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F
Show InChI InChI=1S/C22H23F2NO3/c1-22(2,3)20(27)21(28)25-12-14(17-11-15(23)7-8-18(17)24)10-19(25)13-5-4-6-16(26)9-13/h4-11,19-20,26-27H,12H2,1-3H3/t19-,20+/m0/s1
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n/an/a 7.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human hERG receptor expreesed in HEK cells


Bioorg Med Chem Lett 16: 1780-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.094
BindingDB Entry DOI: 10.7270/Q2PZ58D2
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50181137
PNG
((S)-1-((S)-4-(2,5-difluorophenyl)-2-(3-hydroxyphen...)
Show SMILES CC(C)(C)[C@H](O)C(=O)N1CC(=C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F
Show InChI InChI=1S/C22H23F2NO3/c1-22(2,3)20(27)21(28)25-12-14(17-11-15(23)7-8-18(17)24)10-19(25)13-5-4-6-16(26)9-13/h4-11,19-20,26-27H,12H2,1-3H3/t19-,20+/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KSP by ATPase assay


Bioorg Med Chem Lett 16: 1780-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.094
BindingDB Entry DOI: 10.7270/Q2PZ58D2
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50181141
PNG
((S)-2-cyclopropyl-1-((S)-4-(2,5-difluorophenyl)-2-...)
Show SMILES O[C@@H](C1CC1)C(=O)N1CC(=C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F
Show InChI InChI=1S/C21H19F2NO3/c22-15-6-7-18(23)17(10-15)14-9-19(13-2-1-3-16(25)8-13)24(11-14)21(27)20(26)12-4-5-12/h1-3,6-10,12,19-20,25-26H,4-5,11H2/t19-,20-/m0/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human hERG receptor expreesed in HEK cells


Bioorg Med Chem Lett 16: 1780-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.094
BindingDB Entry DOI: 10.7270/Q2PZ58D2
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50181141
PNG
((S)-2-cyclopropyl-1-((S)-4-(2,5-difluorophenyl)-2-...)
Show SMILES O[C@@H](C1CC1)C(=O)N1CC(=C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F
Show InChI InChI=1S/C21H19F2NO3/c22-15-6-7-18(23)17(10-15)14-9-19(13-2-1-3-16(25)8-13)24(11-14)21(27)20(26)12-4-5-12/h1-3,6-10,12,19-20,25-26H,4-5,11H2/t19-,20-/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KSP by ATPase assay


Bioorg Med Chem Lett 16: 1780-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.094
BindingDB Entry DOI: 10.7270/Q2PZ58D2
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50181137
PNG
((S)-1-((S)-4-(2,5-difluorophenyl)-2-(3-hydroxyphen...)
Show SMILES CC(C)(C)[C@H](O)C(=O)N1CC(=C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F
Show InChI InChI=1S/C22H23F2NO3/c1-22(2,3)20(27)21(28)25-12-14(17-11-15(23)7-8-18(17)24)10-19(25)13-5-4-6-16(26)9-13/h4-11,19-20,26-27H,12H2,1-3H3/t19-,20+/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of KSP


Bioorg Med Chem Lett 17: 722-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.083
BindingDB Entry DOI: 10.7270/Q2HT2Q4S
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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 CC(C)(C)[C@H](N)C(=O)N1CC(=C[C@H]1c1ccccc1)c1cc(F)ccc1F
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