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Compile Data Set for Download or QSAR

Found 113 hits with Last Name = 'slaughter' and Initial = 'de'   
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
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50220966
PNG
(1-[(3R,3aR)-8-fluoro-3-(3-morpholin-4-yl-propyl)-3...)
Show SMILES CC(=O)C1=NN2[C@@H](COc3ccc(F)cc23)[C@@]1(CCCN1CCOCC1)c1ccccc1 |t:3|
Show InChI InChI=1S/C25H28FN3O3/c1-18(30)24-25(19-6-3-2-4-7-19,10-5-11-28-12-14-31-15-13-28)23-17-32-22-9-8-20(26)16-21(22)29(23)27-24/h2-4,6-9,16,23H,5,10-15,17H2,1H3/t23-,25+/m0/s1
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n/an/a 0.400n/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)
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50181139
PNG
((S)-2-amino-2-cyclopropyl-1-((S)-4-(2,5-difluoroph...)
Show SMILES N[C@@H](C1CC1)C(=O)N1CC(=C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |c:10|
Show InChI InChI=1S/C21H20F2N2O2/c22-15-6-7-18(23)17(10-15)14-9-19(13-2-1-3-16(26)8-13)25(11-14)21(27)20(24)12-4-5-12/h1-3,6-10,12,19-20,26H,4-5,11,24H2/t19-,20-/m0/s1
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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))
BDBM50220958
PNG
(1-[(3R,3aR)-3-(3-amino-propyl)-8-fluoro-3-phenyl-3...)
Show SMILES CC(=O)C1=NN2[C@@H](COc3ccc(F)cc23)[C@@]1(CCCN)c1ccccc1 |t:3|
Show InChI InChI=1S/C21H22FN3O2/c1-14(26)20-21(10-5-11-23,15-6-3-2-4-7-15)19-13-27-18-9-8-16(22)12-17(18)25(19)24-20/h2-4,6-9,12,19H,5,10-11,13,23H2,1H3/t19-,21+/m0/s1
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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)
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50220964
PNG
(1-[3-((3R,3aR)-2-acetyl-8-fluoro-3-phenyl-3a,4-dih...)
Show SMILES CN1CCN(CCC[C@]2([C@@H]3COc4ccc(F)cc4N3N=C2C(C)=O)c2ccccc2)CCC1=O |c:22|
Show InChI InChI=1S/C27H31FN4O3/c1-19(33)26-27(20-7-4-3-5-8-20,12-6-13-31-14-11-25(34)30(2)15-16-31)24-18-35-23-10-9-21(28)17-22(23)32(24)29-26/h3-5,7-10,17,24H,6,11-16,18H2,1-2H3/t24-,27+/m0/s1
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n/an/a 0.900n/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)
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50220967
PNG
(1-[(3R,3aR)-8-chloro-3-(3-dimethylamino-propyl)-3-...)
Show SMILES CN(C)CCC[C@]1([C@@H]2COc3ccc(Cl)cc3N2N=C1C(C)=O)c1ccccc1 |c:20|
Show InChI InChI=1S/C23H26ClN3O2/c1-16(28)22-23(12-7-13-26(2)3,17-8-5-4-6-9-17)21-15-29-20-11-10-18(24)14-19(20)27(21)25-22/h4-6,8-11,14,21H,7,12-13,15H2,1-3H3/t21-,23+/m0/s1
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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)
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50220969
PNG
(1-{(3R,3aR)-3-[3-(4-acetyl-piperazin-1-yl)-propyl]...)
Show SMILES CC(=O)N1CCN(CCC[C@]2([C@@H]3COc4ccc(Cl)cc4N3N=C2C(C)=O)c2ccccc2)CC1 |c:24|
Show InChI InChI=1S/C27H31ClN4O3/c1-19(33)26-27(21-7-4-3-5-8-21,11-6-12-30-13-15-31(16-14-30)20(2)34)25-18-35-24-10-9-22(28)17-23(24)32(25)29-26/h3-5,7-10,17,25H,6,11-16,18H2,1-2H3/t25-,27+/m0/s1
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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)
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50220970
PNG
(1-[(3R,3aR)-8-methyl-3-(3-morpholin-4-yl-propyl)-3...)
Show SMILES CC(=O)C1=NN2[C@@H](COc3ccc(C)cc23)[C@@]1(CCCN1CCOCC1)c1ccccc1 |t:3|
Show InChI InChI=1S/C26H31N3O3/c1-19-9-10-23-22(17-19)29-24(18-32-23)26(25(27-29)20(2)30,21-7-4-3-5-8-21)11-6-12-28-13-15-31-16-14-28/h3-5,7-10,17,24H,6,11-16,18H2,1-2H3/t24-,26+/m0/s1
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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)
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50181138
PNG
((S)-2-amino-1-((S)-4-(2,5-difluorophenyl)-2-(3-hyd...)
Show SMILES CC(C)[C@H](N)C(=O)N1CC(=C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |c:9|
Show InChI InChI=1S/C21H22F2N2O2/c1-12(2)20(24)21(27)25-11-14(17-10-15(22)6-7-18(17)23)9-19(25)13-4-3-5-16(26)8-13/h3-10,12,19-20,26H,11,24H2,1-2H3/t19-,20-/m0/s1
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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 |c:10|
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)
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50220963
PNG
(1-[3-((3R,3aR)-2-acetyl-8-fluoro-3-phenyl-3a,4-dih...)
Show SMILES CC(=O)C1=NN2[C@@H](COc3ccc(F)cc23)[C@@]1(CCCN1CCNC(=O)CC1)c1ccccc1 |t:3|
Show InChI InChI=1S/C26H29FN4O3/c1-18(32)25-26(19-6-3-2-4-7-19,11-5-13-30-14-10-24(33)28-12-15-30)23-17-34-22-9-8-20(27)16-21(22)31(23)29-25/h2-4,6-9,16,23H,5,10-15,17H2,1H3,(H,28,33)/t23-,26+/m0/s1
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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)
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50220960
PNG
(1-[(3R,3aR)-3-(3-dimethylamino-propyl)-8-fluoro-3-...)
Show SMILES CN(C)CCC[C@]1([C@@H]2COc3ccc(F)cc3N2N=C1C(C)=O)c1ccccc1 |c:20|
Show InChI InChI=1S/C23H26FN3O2/c1-16(28)22-23(12-7-13-26(2)3,17-8-5-4-6-9-17)21-15-29-20-11-10-18(24)14-19(20)27(21)25-22/h4-6,8-11,14,21H,7,12-13,15H2,1-3H3/t21-,23+/m0/s1
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n/an/a 1.60n/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)
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM24104
PNG
(1-[(5R,6R)-5-[3-(4-acetylpiperazin-1-yl)propyl]-12...)
Show SMILES CC(=O)N1CCN(CCC[C@]2([C@@H]3COc4ccc(F)cc4N3N=C2C(C)=O)c2ccccc2)CC1 |r,c:24|
Show InChI InChI=1S/C27H31FN4O3/c1-19(33)26-27(21-7-4-3-5-8-21,11-6-12-30-13-15-31(16-14-30)20(2)34)25-18-35-24-10-9-22(28)17-23(24)32(25)29-26/h3-5,7-10,17,25H,6,11-16,18H2,1-2H3/t25-,27+/m0/s1
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n/an/a 1.60n/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 (crystal)
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50220957
PNG
(1-[(3R,3aR)-3-(3-dimethylamino-propyl)-8-methyl-3-...)
Show SMILES CN(C)CCC[C@]1([C@@H]2COc3ccc(C)cc3N2N=C1C(C)=O)c1ccccc1 |c:20|
Show InChI InChI=1S/C24H29N3O2/c1-17-11-12-21-20(15-17)27-22(16-29-21)24(13-8-14-26(3)4,23(25-27)18(2)28)19-9-6-5-7-10-19/h5-7,9-12,15,22H,8,13-14,16H2,1-4H3/t22-,24+/m0/s1
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n/an/a 1.80n/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)
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50220959
PNG
(1-[(R)-8-chloro-3-(3-morpholin-4-yl-propyl)-3-phen...)
Show SMILES CC(=O)C1=NN2[C@@H](COc3ccc(Cl)cc23)C1(CCCN1CCOCC1)c1ccccc1 |t:3|
Show InChI InChI=1S/C25H28ClN3O3/c1-18(30)24-25(19-6-3-2-4-7-19,10-5-11-28-12-14-31-15-13-28)23-17-32-22-9-8-20(26)16-21(22)29(23)27-24/h2-4,6-9,16,23H,5,10-15,17H2,1H3/t23-,25?/m0/s1
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n/an/a 1.80n/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
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM24089
PNG
((5S)-5-(3-aminopropyl)-3-(2,5-difluorophenyl)-N,N-...)
Show SMILES CN(C)C(=O)N1N=C(C[C@@]1(CCCN)c1ccccc1)c1cc(F)ccc1F |r,c:6|
Show InChI InChI=1S/C21H24F2N4O/c1-26(2)20(28)27-21(11-6-12-24,15-7-4-3-5-8-15)14-19(25-27)17-13-16(22)9-10-18(17)23/h3-5,7-10,13H,6,11-12,14,24H2,1-2H3/t21-/m0/s1
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n/an/a 1.90n/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 16: 3175-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.040
BindingDB Entry DOI: 10.7270/Q2445JTH
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50006878
PNG
((R)-1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(C)cc2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H22N4O2/c1-16-12-14-18(15-13-16)25-24(30)27-22-23(29)28(2)20-11-7-6-10-19(20)21(26-22)17-8-4-3-5-9-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half maximal inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig cerebral cortex.


J Med Chem 40: 3865-8 (1998)


Article DOI: 10.1021/jm970517u
BindingDB Entry DOI: 10.7270/Q2Q81C6H
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 |c:10|
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))
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 |c:13|
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)
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50181142
PNG
((S)-4-(2,5-difluorophenyl)-N-(2-hydroxyethyl)-2-(3...)
Show SMILES CN(CCO)C(=O)N1CC(=C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |c:9|
Show InChI InChI=1S/C20H20F2N2O3/c1-23(7-8-25)20(27)24-12-14(17-11-15(21)5-6-18(17)22)10-19(24)13-3-2-4-16(26)9-13/h2-6,9-11,19,25-26H,7-8,12H2,1H3/t19-/m0/s1
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n/an/a 4n/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))
BDBM50220962
PNG
(1-[(3R,3aR)-8-fluoro-3-phenyl-3-(3-piperazin-1-yl-...)
Show SMILES CC(=O)C1=NN2[C@@H](COc3ccc(F)cc23)[C@@]1(CCCN1CCNCC1)c1ccccc1 |t:3|
Show InChI InChI=1S/C25H29FN4O2/c1-18(31)24-25(19-6-3-2-4-7-19,10-5-13-29-14-11-27-12-15-29)23-17-32-22-9-8-20(26)16-21(22)30(23)28-24/h2-4,6-9,16,23,27H,5,10-15,17H2,1H3/t23-,25+/m0/s1
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n/an/a 4.30n/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)
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50220961
PNG
(1-[(3R,3aR)-8-fluoro-3-(3-hydroxy-propyl)-3-phenyl...)
Show SMILES CC(=O)C1=NN2[C@@H](COc3ccc(F)cc23)[C@@]1(CCCO)c1ccccc1 |t:3|
Show InChI InChI=1S/C21H21FN2O3/c1-14(26)20-21(10-5-11-25,15-6-3-2-4-7-15)19-13-27-18-9-8-16(22)12-17(18)24(19)23-20/h2-4,6-9,12,19,25H,5,10-11,13H2,1H3/t19-,21+/m0/s1
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n/an/a 5.20n/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)
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50181135
PNG
(CHEMBL206249 | rac-4-(2,5-difluorophenyl)-2-(3-hyd...)
Show SMILES CN(C1CCNCC1)C(=O)N1CC(=CC1c1cccc(O)c1)c1cc(F)ccc1F |c:13|
Show InChI InChI=1S/C23H25F2N3O2/c1-27(18-7-9-26-10-8-18)23(30)28-14-16(20-13-17(24)5-6-21(20)25)12-22(28)15-3-2-4-19(29)11-15/h2-6,11-13,18,22,26,29H,7-10,14H2,1H3
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n/an/a 5.5n/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))
BDBM50181136
PNG
((S)-4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-N,N...)
Show SMILES CN(C)C(=O)N1CC(=C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |c:7|
Show InChI InChI=1S/C19H18F2N2O2/c1-22(2)19(25)23-11-13(16-10-14(20)6-7-17(16)21)9-18(23)12-4-3-5-15(24)8-12/h3-10,18,24H,11H2,1-2H3/t18-/m0/s1
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n/an/a 7n/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)
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM24084
PNG
(3,5-diaryl-4,5-dihydropyrazole, 10a | 5-(3-aminopr...)
Show SMILES CN(C)C(=O)N1N=C(CC1(CCCN)c1ccccc1)c1cc(F)ccc1F |c:6|
Show InChI InChI=1S/C21H24F2N4O/c1-26(2)20(28)27-21(11-6-12-24,15-7-4-3-5-8-15)14-19(25-27)17-13-16(22)9-10-18(17)23/h3-5,7-10,13H,6,11-12,14,24H2,1-2H3
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n/an/a 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 16: 3175-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.040
BindingDB Entry DOI: 10.7270/Q2445JTH
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50181140
PNG
((S)-1-(4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-...)
Show SMILES CC(C)(C)C(=O)N1CC(=C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |c:8|
Show InChI InChI=1S/C21H21F2NO2/c1-21(2,3)20(26)24-12-14(17-11-15(22)7-8-18(17)23)10-19(24)13-5-4-6-16(25)9-13/h4-11,19,25H,12H2,1-3H3/t19-/m0/s1
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n/an/a 13n/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))
BDBM24089
PNG
((5S)-5-(3-aminopropyl)-3-(2,5-difluorophenyl)-N,N-...)
Show SMILES CN(C)C(=O)N1N=C(C[C@@]1(CCCN)c1ccccc1)c1cc(F)ccc1F |r,c:6|
Show InChI InChI=1S/C21H24F2N4O/c1-26(2)20(28)27-21(11-6-12-24,15-7-4-3-5-8-15)14-19(25-27)17-13-16(22)9-10-18(17)23/h3-5,7-10,13H,6,11-12,14,24H2,1-2H3/t21-/m0/s1
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n/an/a 19.3n/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: 3175-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.040
BindingDB Entry DOI: 10.7270/Q2445JTH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM24065
PNG
(1-[(5S)-3-(2,5-difluorophenyl)-5-(3-hydroxyphenyl)...)
Show SMILES CC(=O)N1N=C(C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |r,c:4|
Show InChI InChI=1S/C17H14F2N2O2/c1-10(22)21-17(11-3-2-4-13(23)7-11)9-16(20-21)14-8-12(18)5-6-15(14)19/h2-8,17,23H,9H2,1H3/t17-/m0/s1
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n/an/a 24.7n/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: 3175-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.040
BindingDB Entry DOI: 10.7270/Q2445JTH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM24086
PNG
(3,5-diaryl-4,5-dihydropyrazole, 10c | 3-[3-(2,5-di...)
Show SMILES NCCCC1(CC(=NN1C(=O)N1CCCC1)c1cc(F)ccc1F)c1ccccc1 |c:6|
Show InChI InChI=1S/C23H26F2N4O/c24-18-9-10-20(25)19(15-18)21-16-23(11-6-12-26,17-7-2-1-3-8-17)29(27-21)22(30)28-13-4-5-14-28/h1-3,7-10,15H,4-6,11-14,16,26H2
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n/an/a 26n/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: 3175-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.040
BindingDB Entry DOI: 10.7270/Q2445JTH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM24065
PNG
(1-[(5S)-3-(2,5-difluorophenyl)-5-(3-hydroxyphenyl)...)
Show SMILES CC(=O)N1N=C(C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |r,c:4|
Show InChI InChI=1S/C17H14F2N2O2/c1-10(22)21-17(11-3-2-4-13(23)7-11)9-16(20-21)14-8-12(18)5-6-15(14)19/h2-8,17,23H,9H2,1H3/t17-/m0/s1
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n/an/a 26.4n/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: 3175-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.040
BindingDB Entry DOI: 10.7270/Q2445JTH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM24074
PNG
(3,5-diaryl-4,5-dihydropyrazole, 8h | 5-(3-aminopro...)
Show SMILES CCNC(=O)N1N=C(CC1(CCCN)c1ccccc1)c1cc(F)ccc1F |c:6|
Show InChI InChI=1S/C21H24F2N4O/c1-2-25-20(28)27-21(11-6-12-24,15-7-4-3-5-8-15)14-19(26-27)17-13-16(22)9-10-18(17)23/h3-5,7-10,13H,2,6,11-12,14,24H2,1H3,(H,25,28)
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n/an/a 44n/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: 3175-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.040
BindingDB Entry DOI: 10.7270/Q2445JTH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM24085
PNG
(3,5-diaryl-4,5-dihydropyrazole, 10b | 3-[1-(azetid...)
Show SMILES NCCCC1(CC(=NN1C(=O)N1CCC1)c1cc(F)ccc1F)c1ccccc1 |c:6|
Show InChI InChI=1S/C22H24F2N4O/c23-17-8-9-19(24)18(14-17)20-15-22(10-4-11-25,16-6-2-1-3-7-16)28(26-20)21(29)27-12-5-13-27/h1-3,6-9,14H,4-5,10-13,15,25H2
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n/an/a 55n/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: 3175-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.040
BindingDB Entry DOI: 10.7270/Q2445JTH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM24075
PNG
(3,5-diaryl-4,5-dihydropyrazole, 8i | 5-(4-aminobut...)
Show SMILES CCNC(=O)N1N=C(CC1(CCCCN)c1ccccc1)c1cc(F)ccc1F |c:6|
Show InChI InChI=1S/C22H26F2N4O/c1-2-26-21(29)28-22(12-6-7-13-25,16-8-4-3-5-9-16)15-20(27-28)18-14-17(23)10-11-19(18)24/h3-5,8-11,14H,2,6-7,12-13,15,25H2,1H3,(H,26,29)
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n/an/a 67n/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: 3175-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.040
BindingDB Entry DOI: 10.7270/Q2445JTH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM24087
PNG
(3,5-diaryl-4,5-dihydropyrazole, 10d | 3-[3-(2,5-di...)
Show SMILES NCCCC1(CC(=NN1C(=O)N1CCCCC1)c1cc(F)ccc1F)c1ccccc1 |c:6|
Show InChI InChI=1S/C24H28F2N4O/c25-19-10-11-21(26)20(16-19)22-17-24(12-7-13-27,18-8-3-1-4-9-18)30(28-22)23(31)29-14-5-2-6-15-29/h1,3-4,8-11,16H,2,5-7,12-15,17,27H2
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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: 3175-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.040
BindingDB Entry DOI: 10.7270/Q2445JTH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM24076
PNG
(3,5-diaryl-4,5-dihydropyrazole, 9a | 5-[4-(benzyla...)
Show SMILES CCNC(=O)N1N=C(CC1(CCCCNCc1ccccc1)c1ccccc1)c1cc(F)ccc1F |c:6|
Show InChI InChI=1S/C29H32F2N4O/c1-2-33-28(36)35-29(23-13-7-4-8-14-23,17-9-10-18-32-21-22-11-5-3-6-12-22)20-27(34-35)25-19-24(30)15-16-26(25)31/h3-8,11-16,19,32H,2,9-10,17-18,20-21H2,1H3,(H,33,36)
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n/an/a 100n/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: 3175-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.040
BindingDB Entry DOI: 10.7270/Q2445JTH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061207
PNG
(3-(2,4-Dichloro-phenyl)-N-[1-(2-dimethylamino-ethy...)
Show SMILES CN(C)CCN1c2ccccc2C(=NC(NC(=O)CCc2ccc(Cl)cc2Cl)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C28H28Cl2N4O2/c1-33(2)16-17-34-24-11-7-6-10-22(24)26(20-8-4-3-5-9-20)32-27(28(34)36)31-25(35)15-13-19-12-14-21(29)18-23(19)30/h3-12,14,18,27H,13,15-17H2,1-2H3,(H,31,35)
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n/an/a 100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Ikr current in isolated guinea pig myocytes during a 0.5 s voltage clamp step from -50 to -10 mV.


J Med Chem 40: 3865-8 (1998)


Article DOI: 10.1021/jm970517u
BindingDB Entry DOI: 10.7270/Q2Q81C6H
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM24077
PNG
(3,5-diaryl-4,5-dihydropyrazole, 9b | 3-(2,5-difluo...)
Show SMILES CCNC(=O)N1N=C(CC1(CCCCN(C)C)c1ccccc1)c1cc(F)ccc1F |c:6|
Show InChI InChI=1S/C24H30F2N4O/c1-4-27-23(31)30-24(14-8-9-15-29(2)3,18-10-6-5-7-11-18)17-22(28-30)20-16-19(25)12-13-21(20)26/h5-7,10-13,16H,4,8-9,14-15,17H2,1-3H3,(H,27,31)
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n/an/a 103n/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: 3175-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.040
BindingDB Entry DOI: 10.7270/Q2445JTH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM24078
PNG
(3,5-diaryl-4,5-dihydropyrazole, 9c | 5-(4-{2-azabi...)
Show SMILES CCNC(=O)N1N=C(CC1(CCCCN1CC2CC1C=C2)c1ccccc1)c1cc(F)ccc1F |c:6,21|
Show InChI InChI=1S/C28H32F2N4O/c1-2-31-27(35)34-28(21-8-4-3-5-9-21,14-6-7-15-33-19-20-10-12-23(33)16-20)18-26(32-34)24-17-22(29)11-13-25(24)30/h3-5,8-13,17,20,23H,2,6-7,14-16,18-19H2,1H3,(H,31,35)
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n/an/a 119n/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: 3175-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.040
BindingDB Entry DOI: 10.7270/Q2445JTH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM24088
PNG
(3,5-diaryl-4,5-dihydropyrazole, 10e | 3-[3-(2,5-di...)
Show SMILES NCCCC1(CC(=NN1C(=O)N1CCOCC1)c1cc(F)ccc1F)c1ccccc1 |c:6|
Show InChI InChI=1S/C23H26F2N4O2/c24-18-7-8-20(25)19(15-18)21-16-23(9-4-10-26,17-5-2-1-3-6-17)29(27-21)22(30)28-11-13-31-14-12-28/h1-3,5-8,15H,4,9-14,16,26H2
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n/an/a 122n/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: 3175-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.040
BindingDB Entry DOI: 10.7270/Q2445JTH
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50061220
PNG
(1-((S)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m1/s1
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n/an/a 151n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half maximal inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig cerebral cortex.


J Med Chem 40: 3865-8 (1998)


Article DOI: 10.1021/jm970517u
BindingDB Entry DOI: 10.7270/Q2Q81C6H
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50220968
PNG
(1-((3R,3aR)-8-fluoro-3-phenyl-3a,4-dihydro-3H-5-ox...)
Show SMILES CC(=O)C1=NN2[C@@H](COc3ccc(F)cc23)[C@H]1c1ccccc1 |t:3|
Show InChI InChI=1S/C18H15FN2O2/c1-11(22)18-17(12-5-3-2-4-6-12)15-10-23-16-8-7-13(19)9-14(16)21(15)20-18/h2-9,15,17H,10H2,1H3/t15-,17+/m0/s1
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n/an/a 155n/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))
BDBM24068
PNG
(3,5-diaryl-4,5-dihydropyrazole, 8b | 3-(2,5-difluo...)
Show SMILES CNC(=O)N1N=C(CC1(C)c1ccccc1)c1cc(F)ccc1F |c:5|
Show InChI InChI=1S/C18H17F2N3O/c1-18(12-6-4-3-5-7-12)11-16(22-23(18)17(24)21-2)14-10-13(19)8-9-15(14)20/h3-10H,11H2,1-2H3,(H,21,24)
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n/an/a 284n/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: 3175-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.040
BindingDB Entry DOI: 10.7270/Q2445JTH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM24073
PNG
(3,5-diaryl-4,5-dihydropyrazole, 8g | 5-(2-aminoeth...)
Show SMILES CCNC(=O)N1N=C(CC1(CCN)c1ccccc1)c1cc(F)ccc1F |c:6|
Show InChI InChI=1S/C20H22F2N4O/c1-2-24-19(27)26-20(10-11-23,14-6-4-3-5-7-14)13-18(25-26)16-12-15(21)8-9-17(16)22/h3-9,12H,2,10-11,13,23H2,1H3,(H,24,27)
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n/an/a 390n/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: 3175-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.040
BindingDB Entry DOI: 10.7270/Q2445JTH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM24081
PNG
(3,5-diaryl-4,5-dihydropyrazole, 9f | N-{4-[3-(2,5-...)
Show SMILES CCNC(=O)N1N=C(CC1(CCCCNC(=O)c1ccccn1)c1ccccc1)c1cc(F)ccc1F |c:6|
Show InChI InChI=1S/C28H29F2N5O2/c1-2-31-27(37)35-28(20-10-4-3-5-11-20,19-25(34-35)22-18-21(29)13-14-23(22)30)15-7-9-17-33-26(36)24-12-6-8-16-32-24/h3-6,8,10-14,16,18H,2,7,9,15,17,19H2,1H3,(H,31,37)(H,33,36)
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n/an/a 391n/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: 3175-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.040
BindingDB Entry DOI: 10.7270/Q2445JTH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM24066
PNG
(1-[(5S)-3-(2-chlorophenyl)-5-(3-hydroxyphenyl)-4,5...)
Show SMILES CC(=O)N1N=C(CC1c1cccc(O)c1)c1ccccc1Cl |c:4|
Show InChI InChI=1S/C17H15ClN2O2/c1-11(21)20-17(12-5-4-6-13(22)9-12)10-16(19-20)14-7-2-3-8-15(14)18/h2-9,17,22H,10H2,1H3
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n/an/a 450n/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: 3175-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.040
BindingDB Entry DOI: 10.7270/Q2445JTH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM24082
PNG
(3,5-diaryl-4,5-dihydropyrazole, 9g | N-{4-[3-(2,5-...)
Show SMILES CCNC(=O)N1N=C(CC1(CCCCNC(=O)c1ncc[nH]1)c1ccccc1)c1cc(F)ccc1F |c:6|
Show InChI InChI=1S/C26H28F2N6O2/c1-2-29-25(36)34-26(18-8-4-3-5-9-18,12-6-7-13-32-24(35)23-30-14-15-31-23)17-22(33-34)20-16-19(27)10-11-21(20)28/h3-5,8-11,14-16H,2,6-7,12-13,17H2,1H3,(H,29,36)(H,30,31)(H,32,35)
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n/an/a 552n/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: 3175-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.040
BindingDB Entry DOI: 10.7270/Q2445JTH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM24079
PNG
(3,5-diaryl-4,5-dihydropyrazole, 9d | 4-[3-(2,5-dif...)
Show SMILES CCNC(=O)N1N=C(CC1(CCCC[N+](C)(C)[O-])c1ccccc1)c1cc(F)ccc1F |c:6|
Show InChI InChI=1S/C24H30F2N4O2/c1-4-27-23(31)29-24(18-10-6-5-7-11-18,14-8-9-15-30(2,3)32)17-22(28-29)20-16-19(25)12-13-21(20)26/h5-7,10-13,16H,4,8-9,14-15,17H2,1-3H3,(H,27,31)
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n/an/a 585n/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: 3175-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.040
BindingDB Entry DOI: 10.7270/Q2445JTH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM24070
PNG
(3,5-diaryl-4,5-dihydropyrazole, 8d | 3-(2,5-difluo...)
Show SMILES CCNC(=O)N1N=C(CC1(CCO)c1ccccc1)c1cc(F)ccc1F |c:6|
Show InChI InChI=1S/C20H21F2N3O2/c1-2-23-19(27)25-20(10-11-26,14-6-4-3-5-7-14)13-18(24-25)16-12-15(21)8-9-17(16)22/h3-9,12,26H,2,10-11,13H2,1H3,(H,23,27)
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n/an/a 606n/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: 3175-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.040
BindingDB Entry DOI: 10.7270/Q2445JTH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM24083
PNG
(3,5-diaryl-4,5-dihydropyrazole, 9h | N-{4-[3-(2,5-...)
Show SMILES CCNC(=O)N1N=C(CC1(CCCCNC(=O)c1cnc[nH]1)c1ccccc1)c1cc(F)ccc1F |c:6|
Show InChI InChI=1S/C26H28F2N6O2/c1-2-30-25(36)34-26(18-8-4-3-5-9-18,12-6-7-13-31-24(35)23-16-29-17-32-23)15-22(33-34)20-14-19(27)10-11-21(20)28/h3-5,8-11,14,16-17H,2,6-7,12-13,15H2,1H3,(H,29,32)(H,30,36)(H,31,35)
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n/an/a 686n/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: 3175-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.040
BindingDB Entry DOI: 10.7270/Q2445JTH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM24072
PNG
(3,5-diaryl-4,5-dihydropyrazole, 8f | 3-(2,5-difluo...)
Show SMILES CCNC(=O)N1N=C(CC1(CCCCO)c1ccccc1)c1cc(F)ccc1F |c:6|
Show InChI InChI=1S/C22H25F2N3O2/c1-2-25-21(29)27-22(12-6-7-13-28,16-8-4-3-5-9-16)15-20(26-27)18-14-17(23)10-11-19(18)24/h3-5,8-11,14,28H,2,6-7,12-13,15H2,1H3,(H,25,29)
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n/an/a 697n/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: 3175-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.040
BindingDB Entry DOI: 10.7270/Q2445JTH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM24071
PNG
(3,5-diaryl-4,5-dihydropyrazole, 8e | 3-(2,5-difluo...)
Show SMILES CCNC(=O)N1N=C(CC1(CCCO)c1ccccc1)c1cc(F)ccc1F |c:6|
Show InChI InChI=1S/C21H23F2N3O2/c1-2-24-20(28)26-21(11-6-12-27,15-7-4-3-5-8-15)14-19(25-26)17-13-16(22)9-10-18(17)23/h3-5,7-10,13,27H,2,6,11-12,14H2,1H3,(H,24,28)
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n/an/a 745n/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: 3175-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.040
BindingDB Entry DOI: 10.7270/Q2445JTH
More data for this
Ligand-Target Pair
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