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6 similar compounds to monomer 24098

Compile data set for download or QSAR
Wt: 529.4
BDBM24099
Wt: 450.5
BDBM24100
Wt: 518.5
BDBM24101
Wt: 464.5
BDBM24102
Wt: 468.5
BDBM24090
Wt: 468.5
BDBM50220971

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 24099,24100,24101,24102,24090,50220971   
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))
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
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))
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))
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