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Compile Data Set for Download or QSAR

Found 89 hits with Last Name = 'ogo' and Initial = 'n'   
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 KIF11


(Homo sapiens (Human))
BDBM50131845
PNG
(CHEMBL3633535)
Show SMILES COc1ccc(cc1)C1(SC[C@H](N)C(O)=O)c2ccccc2C=Cc2ccccc12 |r,c:24|
Show InChI InChI=1S/C25H23NO3S/c1-29-20-14-12-19(13-15-20)25(30-16-23(26)24(27)28)21-8-4-2-6-17(21)10-11-18-7-3-5-9-22(18)25/h2-15,23H,16,26H2,1H3,(H,27,28)/t23-/m0/s1
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PubMed
n/an/a 8.60n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


ACS Med Chem Lett 6: 1004-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00221
BindingDB Entry DOI: 10.7270/Q2WM1G76
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50131854
PNG
(CHEMBL3633526)
Show SMILES Cc1ccc(cc1)C1(SC[C@H](N)C(O)=O)c2ccccc2CCc2ccccc12 |r|
Show InChI InChI=1S/C25H25NO2S/c1-17-10-14-20(15-11-17)25(29-16-23(26)24(27)28)21-8-4-2-6-18(21)12-13-19-7-3-5-9-22(19)25/h2-11,14-15,23H,12-13,16,26H2,1H3,(H,27,28)/t23-/m0/s1
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n/an/a 9.30n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


ACS Med Chem Lett 6: 1004-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00221
BindingDB Entry DOI: 10.7270/Q2WM1G76
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50131853
PNG
(CHEMBL3633527)
Show SMILES N[C@@H](CSC1(c2ccc(Cl)cc2)c2ccccc2CCc2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C24H22ClNO2S/c25-19-13-11-18(12-14-19)24(29-15-22(26)23(27)28)20-7-3-1-5-16(20)9-10-17-6-2-4-8-21(17)24/h1-8,11-14,22H,9-10,15,26H2,(H,27,28)/t22-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


ACS Med Chem Lett 6: 1004-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00221
BindingDB Entry DOI: 10.7270/Q2WM1G76
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50131859
PNG
(CHEMBL3633537)
Show SMILES N[C@@H](CSC1(c2ccc(Cl)cc2)c2ccccc2C=Cc2ccccc12)C(O)=O |r,c:20|
Show InChI InChI=1S/C24H20ClNO2S/c25-19-13-11-18(12-14-19)24(29-15-22(26)23(27)28)20-7-3-1-5-16(20)9-10-17-6-2-4-8-21(17)24/h1-14,22H,15,26H2,(H,27,28)/t22-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


ACS Med Chem Lett 6: 1004-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00221
BindingDB Entry DOI: 10.7270/Q2WM1G76
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50131855
PNG
(CHEMBL3633366)
Show SMILES COc1ccc(cc1)C1(SC[C@H](N)C(O)=O)c2ccccc2CCc2ccccc12 |r|
Show InChI InChI=1S/C25H25NO3S/c1-29-20-14-12-19(13-15-20)25(30-16-23(26)24(27)28)21-8-4-2-6-17(21)10-11-18-7-3-5-9-22(18)25/h2-9,12-15,23H,10-11,16,26H2,1H3,(H,27,28)/t23-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


ACS Med Chem Lett 6: 1004-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00221
BindingDB Entry DOI: 10.7270/Q2WM1G76
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50131858
PNG
(CHEMBL3633536)
Show SMILES Cc1ccc(cc1)C1(SC[C@H](N)C(O)=O)c2ccccc2C=Cc2ccccc12 |r,c:23|
Show InChI InChI=1S/C25H23NO2S/c1-17-10-14-20(15-11-17)25(29-16-23(26)24(27)28)21-8-4-2-6-18(21)12-13-19-7-3-5-9-22(19)25/h2-15,23H,16,26H2,1H3,(H,27,28)/t23-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


ACS Med Chem Lett 6: 1004-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00221
BindingDB Entry DOI: 10.7270/Q2WM1G76
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50431893
PNG
(ARRY-520 | CHEMBL2347655)
Show SMILES CON(C)C(=O)N1N=C(S[C@@]1(CCCN)c1ccccc1)c1cc(F)ccc1F |r,c:7|
Show InChI InChI=1S/C20H22F2N4O2S/c1-25(28-2)19(27)26-20(11-6-12-23,14-7-4-3-5-8-14)29-18(24-26)16-13-15(21)9-10-17(16)22/h3-5,7-10,13H,6,11-12,23H2,1-2H3/t20-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


ACS Med Chem Lett 6: 1004-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00221
BindingDB Entry DOI: 10.7270/Q2WM1G76
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50220159
PNG
(CHEMBL389589 | N-[3'-fluoro-4'-(trifluoromethyl)-1...)
Show SMILES NS(=O)(=O)Nc1ccc(cc1)-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C13H10F4N2O2S/c14-12-7-9(3-6-11(12)13(15,16)17)8-1-4-10(5-2-8)19-22(18,20)21/h1-7,19H,(H2,18,20,21)
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n/an/a 20n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated recombinant Eg5 (unknown origin) assessed as inhibition ATP hydrolysis by luminescent kinase assay


Bioorg Med Chem Lett 19: 1058-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.018
BindingDB Entry DOI: 10.7270/Q20R9P8G
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50131856
PNG
(CHEMBL3633365)
Show SMILES N[C@@H](CSC1(c2ccc(cc2)C(F)(F)F)c2ccccc2CCc2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C25H22F3NO2S/c26-25(27,28)19-13-11-18(12-14-19)24(32-15-22(29)23(30)31)20-7-3-1-5-16(20)9-10-17-6-2-4-8-21(17)24/h1-8,11-14,22H,9-10,15,29H2,(H,30,31)/t22-/m0/s1
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n/an/a 21n/an/an/an/an/an/a


TBA

Assay Description
Inhibition C-terminal His-tagged KSP motor domain(1 to 369 residues) (unknown origin) expressed in bacteria assessed as inhibition of microtubule-sti...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113288
BindingDB Entry DOI: 10.7270/Q2668HXW
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50131856
PNG
(CHEMBL3633365)
Show SMILES N[C@@H](CSC1(c2ccc(cc2)C(F)(F)F)c2ccccc2CCc2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C25H22F3NO2S/c26-25(27,28)19-13-11-18(12-14-19)24(32-15-22(29)23(30)31)20-7-3-1-5-16(20)9-10-17-6-2-4-8-21(17)24/h1-8,11-14,22H,9-10,15,29H2,(H,30,31)/t22-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


ACS Med Chem Lett 6: 1004-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00221
BindingDB Entry DOI: 10.7270/Q2WM1G76
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50131846
PNG
(CHEMBL3633534)
Show SMILES N[C@@H](CSC1(c2ccc(cc2)C(F)(F)F)c2ccccc2C=Cc2ccccc12)C(O)=O |r,c:23|
Show InChI InChI=1S/C25H20F3NO2S/c26-25(27,28)19-13-11-18(12-14-19)24(32-15-22(29)23(30)31)20-7-3-1-5-16(20)9-10-17-6-2-4-8-21(17)24/h1-14,22H,15,29H2,(H,30,31)/t22-/m0/s1
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n/an/a 36n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


ACS Med Chem Lett 6: 1004-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00221
BindingDB Entry DOI: 10.7270/Q2WM1G76
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50276406
PNG
(CHEMBL470767 | N-{5-[3-fluoro-4-(trifluoromethyl)p...)
Show SMILES NS(=O)(=O)Nc1ccc(cn1)-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C12H9F4N3O2S/c13-10-5-7(1-3-9(10)12(14,15)16)8-2-4-11(18-6-8)19-22(17,20)21/h1-6H,(H,18,19)(H2,17,20,21)
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n/an/a 40n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated recombinant Eg5 (unknown origin) assessed as inhibition ATP hydrolysis by luminescent kinase assay


Bioorg Med Chem Lett 19: 1058-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.018
BindingDB Entry DOI: 10.7270/Q20R9P8G
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50563618
PNG
(CHEMBL4754888)
Show SMILES NCCOCCOCCNC(=O)C(N)CSC1(c2ccc(cc2)C(F)(F)F)c2ccccc2CCc2ccccc12
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n/an/a 42n/an/an/an/an/an/a


TBA

Assay Description
Inhibition C-terminal His-tagged KSP motor domain(1 to 369 residues) (unknown origin) expressed in bacteria assessed as inhibition of microtubule-sti...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113288
BindingDB Entry DOI: 10.7270/Q2668HXW
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50382559
PNG
(ISPINESIB)
Show SMILES CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C30H33ClN4O2/c1-20(2)27(34(17-7-16-32)29(36)23-12-10-21(3)11-13-23)28-33-26-18-24(31)14-15-25(26)30(37)35(28)19-22-8-5-4-6-9-22/h4-6,8-15,18,20,27H,7,16-17,19,32H2,1-3H3/t27-/m1/s1
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n/an/a 47n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


ACS Med Chem Lett 6: 1004-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00221
BindingDB Entry DOI: 10.7270/Q2WM1G76
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50563616
PNG
(CHEMBL4755438)
Show SMILES CN(C)CCNC(=O)C(N)CSC1(c2ccc(cc2)C(F)(F)F)c2ccccc2CCc2ccccc12
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n/an/a 56n/an/an/an/an/an/a


TBA

Assay Description
Inhibition C-terminal His-tagged KSP motor domain(1 to 369 residues) (unknown origin) expressed in bacteria assessed as inhibition of microtubule-sti...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113288
BindingDB Entry DOI: 10.7270/Q2668HXW
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50131893
PNG
(CHEMBL3633541)
Show SMILES N[C@@H](CSC1(c2ccc(cc2)C(F)(F)F)c2ccccc2CSc2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C24H20F3NO2S2/c25-24(26,27)17-11-9-16(10-12-17)23(32-14-20(28)22(29)30)18-6-2-1-5-15(18)13-31-21-8-4-3-7-19(21)23/h1-12,20H,13-14,28H2,(H,29,30)/t20-,23?/m0/s1
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n/an/a 61n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


ACS Med Chem Lett 6: 1004-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00221
BindingDB Entry DOI: 10.7270/Q2WM1G76
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50131879
PNG
(CHEMBL3633540)
Show SMILES N[C@@H](CSC1(c2ccc(cc2)C(F)(F)F)c2ccccc2COc2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C24H20F3NO3S/c25-24(26,27)17-11-9-16(10-12-17)23(32-14-20(28)22(29)30)18-6-2-1-5-15(18)13-31-21-8-4-3-7-19(21)23/h1-12,20H,13-14,28H2,(H,29,30)/t20-,23?/m0/s1
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n/an/a 75n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


ACS Med Chem Lett 6: 1004-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00221
BindingDB Entry DOI: 10.7270/Q2WM1G76
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50563615
PNG
(CHEMBL4791487)
Show SMILES NC(CSC1(c2ccc(cc2)C(F)(F)F)c2ccccc2CCc2ccccc12)C(=O)NCCO
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n/an/a 80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition C-terminal His-tagged KSP motor domain(1 to 369 residues) (unknown origin) expressed in bacteria assessed as inhibition of microtubule-sti...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113288
BindingDB Entry DOI: 10.7270/Q2668HXW
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50276289
PNG
(3'-fluoro-4'-(trifluoromethyl)biphenyl-4-sulfonami...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C13H9F4NO2S/c14-12-7-9(3-6-11(12)13(15,16)17)8-1-4-10(5-2-8)21(18,19)20/h1-7H,(H2,18,19,20)
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n/an/a 120n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated recombinant Eg5 (unknown origin) assessed as inhibition ATP hydrolysis by luminescent kinase assay


Bioorg Med Chem Lett 19: 1058-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.018
BindingDB Entry DOI: 10.7270/Q20R9P8G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50563617
PNG
(CHEMBL4758507)
Show SMILES NC(CSC1(c2ccc(cc2)C(F)(F)F)c2ccccc2CCc2ccccc12)C(=O)NCCN1CCCCC1
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TBA

Assay Description
Inhibition C-terminal His-tagged KSP motor domain(1 to 369 residues) (unknown origin) expressed in bacteria assessed as inhibition of microtubule-sti...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113288
BindingDB Entry DOI: 10.7270/Q2668HXW
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23823
PNG
((2R)-2-amino-3-{[(4-methoxyphenyl)diphenylmethyl]s...)
Show SMILES COc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C23H23NO3S/c1-27-20-14-12-19(13-15-20)23(17-8-4-2-5-9-17,18-10-6-3-7-11-18)28-16-21(24)22(25)26/h2-15,21H,16,24H2,1H3,(H,25,26)/t21-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of Eg5 assessed as inhibition ATP hydrolysis by ATPase assay


Bioorg Med Chem Lett 17: 3921-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.101
BindingDB Entry DOI: 10.7270/Q2542N8R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50131848
PNG
(CHEMBL3633532)
Show SMILES N[C@@H](CSC1(c2cccc(Cl)c2)c2ccccc2CCc2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C24H22ClNO2S/c25-19-9-5-8-18(14-19)24(29-15-22(26)23(27)28)20-10-3-1-6-16(20)12-13-17-7-2-4-11-21(17)24/h1-11,14,22H,12-13,15,26H2,(H,27,28)/t22-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


ACS Med Chem Lett 6: 1004-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00221
BindingDB Entry DOI: 10.7270/Q2WM1G76
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23823
PNG
((2R)-2-amino-3-{[(4-methoxyphenyl)diphenylmethyl]s...)
Show SMILES COc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C23H23NO3S/c1-27-20-14-12-19(13-15-20)23(17-8-4-2-5-9-17,18-10-6-3-7-11-18)28-16-21(24)22(25)26/h2-15,21H,16,24H2,1H3,(H,25,26)/t21-/m0/s1
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n/an/a 166n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


ACS Med Chem Lett 6: 1004-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00221
BindingDB Entry DOI: 10.7270/Q2WM1G76
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50131857
PNG
(CHEMBL3633364)
Show SMILES N[C@@H](CSC1(c2ccccc2)c2ccccc2CCc2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C24H23NO2S/c25-22(23(26)27)16-28-24(19-10-2-1-3-11-19)20-12-6-4-8-17(20)14-15-18-9-5-7-13-21(18)24/h1-13,22H,14-16,25H2,(H,26,27)/t22-/m0/s1
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n/an/a 209n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


ACS Med Chem Lett 6: 1004-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00221
BindingDB Entry DOI: 10.7270/Q2WM1G76
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50213730
PNG
((R)-2-amino-3-(diphenyl(4-(trifluoromethyl)phenyl)...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C23H20F3NO2S/c24-23(25,26)19-13-11-18(12-14-19)22(16-7-3-1-4-8-16,17-9-5-2-6-10-17)30-15-20(27)21(28)29/h1-14,20H,15,27H2,(H,28,29)/t20-/m0/s1
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n/an/a 220n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of Eg5 assessed as inhibition ATP hydrolysis by ATPase assay


Bioorg Med Chem Lett 17: 3921-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.101
BindingDB Entry DOI: 10.7270/Q2542N8R
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50131849
PNG
(CHEMBL3633531)
Show SMILES N[C@@H](CSC1(c2cccc(c2)C(F)(F)F)c2ccccc2CCc2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C25H22F3NO2S/c26-25(27,28)19-9-5-8-18(14-19)24(32-15-22(29)23(30)31)20-10-3-1-6-16(20)12-13-17-7-2-4-11-21(17)24/h1-11,14,22H,12-13,15,29H2,(H,30,31)/t22-/m0/s1
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n/an/a 238n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


ACS Med Chem Lett 6: 1004-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00221
BindingDB Entry DOI: 10.7270/Q2WM1G76
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50563619
PNG
(CHEMBL4756522)
Show SMILES N[C@@H](CCC(=O)C[C@@H](CSC1(c2ccc(cc2)C(F)(F)F)c2ccccc2CCc2ccccc12)C(O)=O)C(O)=O |r|
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n/an/a 239n/an/an/an/an/an/a


TBA

Assay Description
Inhibition C-terminal His-tagged KSP motor domain(1 to 369 residues) (unknown origin) expressed in bacteria assessed as inhibition of microtubule-sti...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113288
BindingDB Entry DOI: 10.7270/Q2668HXW
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50213730
PNG
((R)-2-amino-3-(diphenyl(4-(trifluoromethyl)phenyl)...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C23H20F3NO2S/c24-23(25,26)19-13-11-18(12-14-19)22(16-7-3-1-4-8-16,17-9-5-2-6-10-17)30-15-20(27)21(28)29/h1-14,20H,15,27H2,(H,28,29)/t20-/m0/s1
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n/an/a 262n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


ACS Med Chem Lett 6: 1004-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00221
BindingDB Entry DOI: 10.7270/Q2WM1G76
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50131850
PNG
(CHEMBL3633530)
Show SMILES CC(C)(C)c1ccc(cc1)C1(SC[C@H](N)C(O)=O)c2ccccc2CCc2ccccc12 |r|
Show InChI InChI=1S/C28H31NO2S/c1-27(2,3)21-14-16-22(17-15-21)28(32-18-25(29)26(30)31)23-10-6-4-8-19(23)12-13-20-9-5-7-11-24(20)28/h4-11,14-17,25H,12-13,18,29H2,1-3H3,(H,30,31)/t25-/m0/s1
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n/an/a 301n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


ACS Med Chem Lett 6: 1004-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00221
BindingDB Entry DOI: 10.7270/Q2WM1G76
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50131851
PNG
(CHEMBL3633529)
Show SMILES N[C@@H](CSC1(c2ccc(Oc3ccccc3)cc2)c2ccccc2CCc2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C30H27NO3S/c31-28(29(32)33)20-35-30(23-16-18-25(19-17-23)34-24-10-2-1-3-11-24)26-12-6-4-8-21(26)14-15-22-9-5-7-13-27(22)30/h1-13,16-19,28H,14-15,20,31H2,(H,32,33)/t28-/m0/s1
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n/an/a 306n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


ACS Med Chem Lett 6: 1004-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00221
BindingDB Entry DOI: 10.7270/Q2WM1G76
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50563614
PNG
(CHEMBL4750317)
Show SMILES NC(CSC1(c2ccc(cc2)C(F)(F)F)c2ccccc2CCc2ccccc12)C(=O)NCc1ccccc1
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n/an/a 358n/an/an/an/an/an/a


TBA

Assay Description
Inhibition C-terminal His-tagged KSP motor domain(1 to 369 residues) (unknown origin) expressed in bacteria assessed as inhibition of microtubule-sti...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113288
BindingDB Entry DOI: 10.7270/Q2668HXW
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50276251
PNG
(4-(3-tert-butylphenyl)pyridine | CHEMBL449439)
Show SMILES CC(C)(C)c1cccc(c1)-c1ccncc1
Show InChI InChI=1S/C15H17N/c1-15(2,3)14-6-4-5-13(11-14)12-7-9-16-10-8-12/h4-11H,1-3H3
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n/an/a 420n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated recombinant Eg5 (unknown origin) assessed as inhibition ATP hydrolysis by luminescent kinase assay


Bioorg Med Chem Lett 19: 1058-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.018
BindingDB Entry DOI: 10.7270/Q20R9P8G
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50213723
PNG
((R)-methyl 2-amino-3-((4-methoxyphenyl)diphenylmet...)
Show SMILES COC(=O)[C@@H](N)CSC(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1
Show InChI InChI=1S/C24H25NO3S/c1-27-21-15-13-20(14-16-21)24(18-9-5-3-6-10-18,19-11-7-4-8-12-19)29-17-22(25)23(26)28-2/h3-16,22H,17,25H2,1-2H3/t22-/m0/s1
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n/an/a 680n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of Eg5 assessed as inhibition ATP hydrolysis by ATPase assay


Bioorg Med Chem Lett 17: 3921-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.101
BindingDB Entry DOI: 10.7270/Q2542N8R
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50276407
PNG
(CHEMBL470776 | N-{4-[5-(trifluoromethyl)pyridin-2-...)
Show SMILES NS(=O)(=O)Nc1ccc(cc1)-c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C12H10F3N3O2S/c13-12(14,15)9-3-6-11(17-7-9)8-1-4-10(5-2-8)18-21(16,19)20/h1-7,18H,(H2,16,19,20)
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n/an/a 700n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated recombinant Eg5 (unknown origin) assessed as inhibition ATP hydrolysis by luminescent kinase assay


Bioorg Med Chem Lett 19: 1058-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.018
BindingDB Entry DOI: 10.7270/Q20R9P8G
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50276356
PNG
(3-fluoro-4'-(methylsulfonyl)-4-(trifluoromethyl)bi...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C14H10F4O2S/c1-21(19,20)11-5-2-9(3-6-11)10-4-7-12(13(15)8-10)14(16,17)18/h2-8H,1H3
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n/an/a 860n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated recombinant Eg5 (unknown origin) assessed as inhibition ATP hydrolysis by luminescent kinase assay


Bioorg Med Chem Lett 19: 1058-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.018
BindingDB Entry DOI: 10.7270/Q20R9P8G
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50276216
PNG
(4-(4-tert-butylphenyl)pyridine | CHEMBL471198)
Show SMILES CC(C)(C)c1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C15H17N/c1-15(2,3)14-6-4-12(5-7-14)13-8-10-16-11-9-13/h4-11H,1-3H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated recombinant Eg5 (unknown origin) assessed as inhibition ATP hydrolysis by luminescent kinase assay


Bioorg Med Chem Lett 19: 1058-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.018
BindingDB Entry DOI: 10.7270/Q20R9P8G
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50131852
PNG
(CHEMBL3633528)
Show SMILES N[C@@H](CSC1(c2ccc(cc2)-c2ccccc2)c2ccccc2CCc2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C30H27NO2S/c31-28(29(32)33)20-34-30(25-18-16-22(17-19-25)21-8-2-1-3-9-21)26-12-6-4-10-23(26)14-15-24-11-5-7-13-27(24)30/h1-13,16-19,28H,14-15,20,31H2,(H,32,33)/t28-/m0/s1
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n/an/a 1.06E+3n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


ACS Med Chem Lett 6: 1004-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00221
BindingDB Entry DOI: 10.7270/Q2WM1G76
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50131873
PNG
(CHEMBL3633538)
Show SMILES N[C@@H](CSC1(c2ccc(cc2)-c2ccccc2)c2ccccc2C=Cc2ccccc12)C(O)=O |r,c:26|
Show InChI InChI=1S/C30H25NO2S/c31-28(29(32)33)20-34-30(25-18-16-22(17-19-25)21-8-2-1-3-9-21)26-12-6-4-10-23(26)14-15-24-11-5-7-13-27(24)30/h1-19,28H,20,31H2,(H,32,33)/t28-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


ACS Med Chem Lett 6: 1004-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00221
BindingDB Entry DOI: 10.7270/Q2WM1G76
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50276257
PNG
(4-tert-butyl-4'-ethynyl-3-methylbiphenyl | CHEMBL4...)
Show SMILES Fc1cc(ccc1C(F)(F)F)-c1ccc(cc1)C#N
Show InChI InChI=1S/C14H7F4N/c15-13-7-11(5-6-12(13)14(16,17)18)10-3-1-9(8-19)2-4-10/h1-7H
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated recombinant Eg5 (unknown origin) assessed as inhibition ATP hydrolysis by luminescent kinase assay


Bioorg Med Chem Lett 19: 1058-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.018
BindingDB Entry DOI: 10.7270/Q20R9P8G
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50276286
PNG
(3'-fluoro-4'-(trifluoromethyl)biphenyl-4-carbaldeh...)
Show SMILES Fc1cc(ccc1C(F)(F)F)-c1ccc(C=O)cc1
Show InChI InChI=1S/C14H8F4O/c15-13-7-11(5-6-12(13)14(16,17)18)10-3-1-9(8-19)2-4-10/h1-8H
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n/an/a 1.47E+3n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated recombinant Eg5 (unknown origin) assessed as inhibition ATP hydrolysis by luminescent kinase assay


Bioorg Med Chem Lett 19: 1058-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.018
BindingDB Entry DOI: 10.7270/Q20R9P8G
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50276255
PNG
(4'-tert-butylbiphenyl-4-carbonitrile | CHEMBL47245...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C17H17N/c1-17(2,3)16-10-8-15(9-11-16)14-6-4-13(12-18)5-7-14/h4-11H,1-3H3
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n/an/a 1.47E+3n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated recombinant Eg5 (unknown origin) assessed as inhibition ATP hydrolysis by luminescent kinase assay


Bioorg Med Chem Lett 19: 1058-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.018
BindingDB Entry DOI: 10.7270/Q20R9P8G
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23772
PNG
((2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoi...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C22H21NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,25)/t20-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of Eg5 assessed as inhibition ATP hydrolysis by ATPase assay


Bioorg Med Chem Lett 17: 3921-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.101
BindingDB Entry DOI: 10.7270/Q2542N8R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23772
PNG
((2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoi...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C22H21NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,25)/t20-/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


ACS Med Chem Lett 6: 1004-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00221
BindingDB Entry DOI: 10.7270/Q2WM1G76
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50276258
PNG
(3'-fluoro-4'-(trifluoromethyl)biphenyl-4-ol | CHEM...)
Show SMILES Oc1ccc(cc1)-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C13H8F4O/c14-12-7-9(3-6-11(12)13(15,16)17)8-1-4-10(18)5-2-8/h1-7,18H
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n/an/a 2.14E+3n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated recombinant Eg5 (unknown origin) assessed as inhibition ATP hydrolysis by luminescent kinase assay


Bioorg Med Chem Lett 19: 1058-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.018
BindingDB Entry DOI: 10.7270/Q20R9P8G
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50276283
PNG
(3'-fluoro-4'-(trifluoromethyl)biphenyl-4-amine | C...)
Show SMILES Nc1ccc(cc1)-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C13H9F4N/c14-12-7-9(3-6-11(12)13(15,16)17)8-1-4-10(18)5-2-8/h1-7H,18H2
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n/an/a 2.47E+3n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated recombinant Eg5 (unknown origin) assessed as inhibition ATP hydrolysis by luminescent kinase assay


Bioorg Med Chem Lett 19: 1058-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.018
BindingDB Entry DOI: 10.7270/Q20R9P8G
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50276358
PNG
(CHEMBL472475 | N-(3'-fluoro-4'-(trifluoromethyl)bi...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C14H11F4NO2S/c1-22(20,21)19-11-5-2-9(3-6-11)10-4-7-12(13(15)8-10)14(16,17)18/h2-8,19H,1H3
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n/an/a 2.78E+3n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated recombinant Eg5 (unknown origin) assessed as inhibition ATP hydrolysis by luminescent kinase assay


Bioorg Med Chem Lett 19: 1058-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.018
BindingDB Entry DOI: 10.7270/Q20R9P8G
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50276405
PNG
(CHEMBL470775 | N-{[3'-fluoro-4'-(trifluoromethyl)-...)
Show SMILES NS(=O)(=O)NCc1ccc(cc1)-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C14H12F4N2O2S/c15-13-7-11(5-6-12(13)14(16,17)18)10-3-1-9(2-4-10)8-20-23(19,21)22/h1-7,20H,8H2,(H2,19,21,22)
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n/an/a 3.06E+3n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated recombinant Eg5 (unknown origin) assessed as inhibition ATP hydrolysis by luminescent kinase assay


Bioorg Med Chem Lett 19: 1058-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.018
BindingDB Entry DOI: 10.7270/Q20R9P8G
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50213727
PNG
((R)-2-amino-3-(tritylthio)propanamide | CHEMBL2321...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(N)=O
Show InChI InChI=1S/C22H22N2OS/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H2,24,25)/t20-/m0/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of Eg5 assessed as inhibition ATP hydrolysis by ATPase assay


Bioorg Med Chem Lett 17: 3921-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.101
BindingDB Entry DOI: 10.7270/Q2542N8R
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50276284
PNG
((3'-fluoro-4'-(trifluoromethyl)biphenyl-4-yl)metha...)
Show SMILES OCc1ccc(cc1)-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C14H10F4O/c15-13-7-11(5-6-12(13)14(16,17)18)10-3-1-9(8-19)2-4-10/h1-7,19H,8H2
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n/an/a 3.63E+3n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated recombinant Eg5 (unknown origin) assessed as inhibition ATP hydrolysis by luminescent kinase assay


Bioorg Med Chem Lett 19: 1058-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.018
BindingDB Entry DOI: 10.7270/Q20R9P8G
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50276355
PNG
((DL)-3-fluoro-4'-(methylsulfinyl)-4-(trifluorometh...)
Show SMILES CS(=O)c1ccc(cc1)-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C14H10F4OS/c1-20(19)11-5-2-9(3-6-11)10-4-7-12(13(15)8-10)14(16,17)18/h2-8H,1H3
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n/an/a 3.70E+3n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated recombinant Eg5 (unknown origin) assessed as inhibition ATP hydrolysis by luminescent kinase assay


Bioorg Med Chem Lett 19: 1058-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.018
BindingDB Entry DOI: 10.7270/Q20R9P8G
More data for this
Ligand-Target Pair
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