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8 similar compounds to monomer 24094

Compile data set for download or QSAR
Wt: 411.4
BDBM24095
Wt: 385.4
BDBM24097
Wt: 450.5
BDBM24100
Wt: 381.4
BDBM24103
Wt: 468.5
BDBM24090
Wt: 475.5
BDBM24092
Wt: 427.4
BDBM24093
Wt: 468.5
BDBM50220971

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 24095,24097,24100,24103,24090,24092,24093,50220971   
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))
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
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50220971
PNG
(1-[(R)-4-[3-(4-acetyl-piperazin-1-yl)-propyl]-1-(2...)
Show SMILES CC(=O)N1CCN(CCC[C@]2(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/t26-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of kinesin spindle protein


Bioorg Med Chem Lett 17: 5671-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.067
BindingDB Entry DOI: 10.7270/Q261101N
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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))
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
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



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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))
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