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12 similar compounds to monomer 50220971

Compile data set for download or QSAR
Wt: 411.4
BDBM24095
Wt: 385.4
BDBM24097
Wt: 484.9
BDBM24098
Wt: 529.4
BDBM24099
Wt: 450.5
BDBM24100
Wt: 518.5
BDBM24101
Wt: 464.5
BDBM24102
Wt: 381.4
BDBM24103
Wt: 468.5
BDBM24090
Wt: 475.5
BDBM24092
Wt: 427.4
BDBM24093
Wt: 415.4
BDBM24094

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 24095,24097,24098,24099,24100,24101,24102,24103,24090,24092,24093,24094   
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))
BDBM24090
PNG
(1,4-diaryl-4,5-dihydropyrazole, 2 | 1-[1-(2,5-difl...)
Show SMILES CC(=O)N1CCN(CCCC2(CN(N=C2C(C)=O)c2cc(F)ccc2F)c2ccccc2)CC1
Show InChI InChI=1S/C26H30F2N4O2/c1-19(33)25-26(21-7-4-3-5-8-21,11-6-12-30-13-15-31(16-14-30)20(2)34)18-32(29-25)24-17-22(27)9-10-23(24)28/h3-5,7-10,17H,6,11-16,18H2,1-2H3
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n/an/a 3.80n/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 17: 5677-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.074
BindingDB Entry DOI: 10.7270/Q20C4T36
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM24092
PNG
(1,4-diaryl-4,5-dihydropyrazole, 12 | 4-{3-[1-(2,5-...)
Show SMILES CC(=O)C1=NN(CC1(CCCN1CCS(=O)(=O)CC1)c1ccccc1)c1cc(F)ccc1F
Show InChI InChI=1S/C24H27F2N3O3S/c1-18(30)23-24(19-6-3-2-4-7-19,10-5-11-28-12-14-33(31,32)15-13-28)17-29(27-23)22-16-20(25)8-9-21(22)26/h2-4,6-9,16H,5,10-15,17H2,1H3
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n/an/a 16.5n/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 17: 5677-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.074
BindingDB Entry DOI: 10.7270/Q20C4T36
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM24093
PNG
(1,4-diaryl-4,5-dihydropyrazole, 13 | 1-[1-(2,5-dif...)
Show SMILES CC(=O)C1=NN(CC1(CCCN1CCOCC1)c1ccccc1)c1cc(F)ccc1F
Show InChI InChI=1S/C24H27F2N3O2/c1-18(30)23-24(19-6-3-2-4-7-19,10-5-11-28-12-14-31-15-13-28)17-29(27-23)22-16-20(25)8-9-21(22)26/h2-4,6-9,16H,5,10-15,17H2,1H3
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n/an/a 4.20n/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 17: 5677-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.074
BindingDB Entry DOI: 10.7270/Q20C4T36
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM24094
PNG
(1,4-diaryl-4,5-dihydropyrazole, 14 | 1-[1-(2,5-dif...)
Show SMILES CC(=O)C1=NN(CC1(CCCN1CC(F)C1)c1ccccc1)c1cc(F)ccc1F
Show InChI InChI=1S/C23H24F3N3O/c1-16(30)22-23(17-6-3-2-4-7-17,10-5-11-28-13-19(25)14-28)15-29(27-22)21-12-18(24)8-9-20(21)26/h2-4,6-9,12,19H,5,10-11,13-15H2,1H3
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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 17: 5677-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.074
BindingDB Entry DOI: 10.7270/Q20C4T36
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM24095
PNG
(1,4-diaryl-4,5-dihydropyrazole, 15 | 1-[1-(2,5-dif...)
Show SMILES CC(=O)C1=NN(CC1(CCCN1CCCC1)c1ccccc1)c1cc(F)ccc1F
Show InChI InChI=1S/C24H27F2N3O/c1-18(30)23-24(19-8-3-2-4-9-19,12-7-15-28-13-5-6-14-28)17-29(27-23)22-16-20(25)10-11-21(22)26/h2-4,8-11,16H,5-7,12-15,17H2,1H3
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n/an/a 3.80n/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 17: 5677-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.074
BindingDB Entry DOI: 10.7270/Q20C4T36
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM24097
PNG
(1,4-diaryl-4,5-dihydropyrazole, 17 | 1-[1-(2,5-dif...)
Show SMILES CN(C)CCCC1(CN(N=C1C(C)=O)c1cc(F)ccc1F)c1ccccc1
Show InChI InChI=1S/C22H25F2N3O/c1-16(28)21-22(12-7-13-26(2)3,17-8-5-4-6-9-17)15-27(25-21)20-14-18(23)10-11-19(20)24/h4-6,8-11,14H,7,12-13,15H2,1-3H3
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n/an/a 2.10n/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 17: 5677-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.074
BindingDB Entry DOI: 10.7270/Q20C4T36
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM24103
PNG
(1,4-diaryl-4,5-dihydropyrazole, 25 | 1-[(4R)-4-[3-...)
Show SMILES CN(C)CCC[C@]1(CN(N=C1C(C)=O)c1cc(C)ccc1F)c1ccccc1
Show InChI InChI=1S/C23H28FN3O/c1-17-11-12-20(24)21(15-17)27-16-23(13-8-14-26(3)4,22(25-27)18(2)28)19-9-6-5-7-10-19/h5-7,9-12,15H,8,13-14,16H2,1-4H3/t23-/m0/s1
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n/an/a 3.04E+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 17: 5677-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.074
BindingDB Entry DOI: 10.7270/Q20C4T36
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM24099
PNG
(1,4-diaryl-4,5-dihydropyrazole, 19 | 1-[1-(5-bromo...)
Show SMILES CC(=O)N1CCN(CCCC2(CN(N=C2C(C)=O)c2cc(Br)ccc2F)c2ccccc2)CC1
Show InChI InChI=1S/C26H30BrFN4O2/c1-19(33)25-26(21-7-4-3-5-8-21,11-6-12-30-13-15-31(16-14-30)20(2)34)18-32(29-25)24-17-22(27)9-10-23(24)28/h3-5,7-10,17H,6,11-16,18H2,1-2H3
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n/an/a 4.70n/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 17: 5677-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.074
BindingDB Entry DOI: 10.7270/Q20C4T36
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM24100
PNG
(1,4-diaryl-4,5-dihydropyrazole, 20 | 1-{4-[3-(4-ac...)
Show SMILES CC(=O)N1CCN(CCCC2(CN(N=C2C(C)=O)c2ccccc2F)c2ccccc2)CC1
Show InChI InChI=1S/C26H31FN4O2/c1-20(32)25-26(22-9-4-3-5-10-22,19-31(28-25)24-12-7-6-11-23(24)27)13-8-14-29-15-17-30(18-16-29)21(2)33/h3-7,9-12H,8,13-19H2,1-2H3
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n/an/a 21.8n/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 17: 5677-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.074
BindingDB Entry DOI: 10.7270/Q20C4T36
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM24101
PNG
(1,4-diaryl-4,5-dihydropyrazole, 21 | 1-{4-[3-(4-ac...)
Show SMILES CC(=O)N1CCN(CCCC2(CN(N=C2C(C)=O)c2cc(ccc2F)C(F)(F)F)c2ccccc2)CC1
Show InChI InChI=1S/C27H30F4N4O2/c1-19(36)25-26(21-7-4-3-5-8-21,11-6-12-33-13-15-34(16-14-33)20(2)37)18-35(32-25)24-17-22(27(29,30)31)9-10-23(24)28/h3-5,7-10,17H,6,11-16,18H2,1-2H3
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n/an/a 10.1n/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 17: 5677-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.074
BindingDB Entry DOI: 10.7270/Q20C4T36
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM24102
PNG
(1,4-diaryl-4,5-dihydropyrazole, 22 | 1-{4-[3-(4-ac...)
Show SMILES CC(=O)N1CCN(CCCC2(CN(N=C2C(C)=O)c2cc(C)ccc2F)c2ccccc2)CC1
Show InChI InChI=1S/C27H33FN4O2/c1-20-10-11-24(28)25(18-20)32-19-27(26(29-32)21(2)33,23-8-5-4-6-9-23)12-7-13-30-14-16-31(17-15-30)22(3)34/h4-6,8-11,18H,7,12-17,19H2,1-3H3
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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 17: 5677-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.074
BindingDB Entry DOI: 10.7270/Q20C4T36
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM24103
PNG
(1,4-diaryl-4,5-dihydropyrazole, 25 | 1-[(4R)-4-[3-...)
Show SMILES CN(C)CCC[C@]1(CN(N=C1C(C)=O)c1cc(C)ccc1F)c1ccccc1
Show InChI InChI=1S/C23H28FN3O/c1-17-11-12-20(24)21(15-17)27-16-23(13-8-14-26(3)4,22(25-27)18(2)28)19-9-6-5-7-10-19/h5-7,9-12,15H,8,13-14,16H2,1-4H3/t23-/m0/s1
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n/an/a 0.200n/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 17: 5677-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.074
BindingDB Entry DOI: 10.7270/Q20C4T36
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM24098
PNG
(1,4-diaryl-4,5-dihydropyrazole, 18 | 1-[1-(5-chlor...)
Show SMILES CC(=O)N1CCN(CCCC2(CN(N=C2C(C)=O)c2cc(Cl)ccc2F)c2ccccc2)CC1
Show InChI InChI=1S/C26H30ClFN4O2/c1-19(33)25-26(21-7-4-3-5-8-21,11-6-12-30-13-15-31(16-14-30)20(2)34)18-32(29-25)24-17-22(27)9-10-23(24)28/h3-5,7-10,17H,6,11-16,18H2,1-2H3
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n/an/a 3.90n/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 17: 5677-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.074
BindingDB Entry DOI: 10.7270/Q20C4T36
More data for this
Ligand-Target Pair