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Compile Data Set for Download or QSAR

Found 176 hits with Last Name = 'sawada' and Initial = 'j'   
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))
BDBM50131845
PNG
(CHEMBL3633535)
Show SMILES COc1ccc(cc1)C1(SC[C@H](N)C(O)=O)c2ccccc2C=Cc2ccccc12
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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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 1


(Homo sapiens (Human))
BDBM50131854
PNG
(CHEMBL3633526)
Show SMILES Cc1ccc(cc1)C1(SC[C@H](N)C(O)=O)c2ccccc2CCc2ccccc12
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 1


(Homo sapiens (Human))
BDBM50131853
PNG
(CHEMBL3633527)
Show SMILES N[C@@H](CSC1(c2ccc(Cl)cc2)c2ccccc2CCc2ccccc12)C(O)=O
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 1


(Homo sapiens (Human))
BDBM50131859
PNG
(CHEMBL3633537)
Show SMILES N[C@@H](CSC1(c2ccc(Cl)cc2)c2ccccc2C=Cc2ccccc12)C(O)=O
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 1


(Homo sapiens (Human))
BDBM50131858
PNG
(CHEMBL3633536)
Show SMILES Cc1ccc(cc1)C1(SC[C@H](N)C(O)=O)c2ccccc2C=Cc2ccccc12
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 1


(Homo sapiens (Human))
BDBM50131855
PNG
(CHEMBL3633366)
Show SMILES COc1ccc(cc1)C1(SC[C@H](N)C(O)=O)c2ccccc2CCc2ccccc12
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
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50431893
PNG
(ARRY-520 | CHEMBL2347655)
Show SMILES CON(C)C(=O)N1N=C(S[C@@]1(CCCN)c1ccccc1)c1cc(F)ccc1F
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
Kinesin-like protein 1


(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 1


(Homo sapiens (Human))
BDBM50131856
PNG
(CHEMBL3633365)
Show SMILES N[C@@H](CSC1(c2ccc(cc2)C(F)(F)F)c2ccccc2CCc2ccccc12)C(O)=O
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 1


(Homo sapiens (Human))
BDBM50347610
PNG
(CHEMBL1802990)
Show SMILES FC(F)(F)c1ccc2c(c1)[nH]c1cc3NC(=O)CCc3cc21
Show InChI InChI=1S/C16H11F3N2O/c17-16(18,19)9-2-3-10-11-5-8-1-4-15(22)21-12(8)7-14(11)20-13(10)6-9/h2-3,5-7,20H,1,4H2,(H,21,22)
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n/an/a 31n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged microtubule-activated KSP motor domain ATPase activity after 15 mins by luciferase-derived luminescence assay


J Med Chem 54: 4839-46 (2011)


Article DOI: 10.1021/jm200448n
BindingDB Entry DOI: 10.7270/Q20V8D5G
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50017887
PNG
(CHEMBL3289009)
Show SMILES FC(F)(F)c1ccnc(Nc2ccc3NC(=O)CSc3c2)c1
Show InChI InChI=1S/C14H10F3N3OS/c15-14(16,17)8-3-4-18-12(5-8)19-9-1-2-10-11(6-9)22-7-13(21)20-10/h1-6H,7H2,(H,18,19)(H,20,21)
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n/an/a 35n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged KSP ATPase motor domain (unknown origin) expressed in bacteria incubated for 30 mins prior to ATP addition measur...


Bioorg Med Chem 22: 3171-9 (2014)


Article DOI: 10.1016/j.bmc.2014.04.008
BindingDB Entry DOI: 10.7270/Q2ST7RD5
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50131846
PNG
(CHEMBL3633534)
Show SMILES N[C@@H](CSC1(c2ccc(cc2)C(F)(F)F)c2ccccc2C=Cc2ccccc12)C(O)=O
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 1


(Homo sapiens (Human))
BDBM50347615
PNG
(CHEMBL1803019)
Show SMILES FC(F)(F)c1ccc2c(c1)[nH]c1cc3NC(=O)Cc3cc21
Show InChI InChI=1S/C15H9F3N2O/c16-15(17,18)8-1-2-9-10-3-7-4-14(21)20-11(7)6-13(10)19-12(9)5-8/h1-3,5-6,19H,4H2,(H,20,21)
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n/an/a 37n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged microtubule-activated KSP motor domain ATPase activity after 15 mins by luciferase-derived luminescence assay


J Med Chem 54: 4839-46 (2011)


Article DOI: 10.1021/jm200448n
BindingDB Entry DOI: 10.7270/Q20V8D5G
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50347609
PNG
(CHEMBL1802989)
Show SMILES FC(F)(F)c1ccc2c(c1)[nH]c1c3CCC(=O)Nc3ccc21
Show InChI InChI=1S/C16H11F3N2O/c17-16(18,19)8-1-2-9-10-3-5-12-11(4-6-14(22)20-12)15(10)21-13(9)7-8/h1-3,5,7,21H,4,6H2,(H,20,22)
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n/an/a 40n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged microtubule-activated KSP motor domain ATPase activity after 15 mins by luciferase-derived luminescence assay


J Med Chem 54: 4839-46 (2011)


Article DOI: 10.1021/jm200448n
BindingDB Entry DOI: 10.7270/Q20V8D5G
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(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 1


(Homo sapiens (Human))
BDBM50017707
PNG
(CHEMBL3288965)
Show SMILES [O-][N+](=O)c1ccc2[nH]c3cc(ccc3c2c1)C(F)(F)F
Show InChI InChI=1S/C13H7F3N2O2/c14-13(15,16)7-1-3-9-10-6-8(18(19)20)2-4-11(10)17-12(9)5-7/h1-6,17H
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n/an/a 43n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged KSP ATPase motor domain (unknown origin) expressed in bacteria incubated for 30 mins prior to ATP addition measur...


Bioorg Med Chem 22: 3171-9 (2014)


Article DOI: 10.1016/j.bmc.2014.04.008
BindingDB Entry DOI: 10.7270/Q2ST7RD5
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50017722
PNG
(CHEMBL3288973)
Show SMILES FC(F)(F)c1cccc(Nc2ccc3NC(=O)CCc3c2)c1
Show InChI InChI=1S/C16H13F3N2O/c17-16(18,19)11-2-1-3-12(9-11)20-13-5-6-14-10(8-13)4-7-15(22)21-14/h1-3,5-6,8-9,20H,4,7H2,(H,21,22)
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n/an/a 45n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged KSP ATPase motor domain (unknown origin) expressed in bacteria incubated for 30 mins prior to ATP addition measur...


Bioorg Med Chem 22: 3171-9 (2014)


Article DOI: 10.1016/j.bmc.2014.04.008
BindingDB Entry DOI: 10.7270/Q2ST7RD5
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50347616
PNG
(CHEMBL1803020)
Show SMILES FC(F)(F)c1ccc2c(c1)[nH]c1cc3NC(=O)CCCc3cc21
Show InChI InChI=1S/C17H13F3N2O/c18-17(19,20)10-4-5-11-12-6-9-2-1-3-16(23)22-13(9)8-15(12)21-14(11)7-10/h4-8,21H,1-3H2,(H,22,23)
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n/an/a 45n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged microtubule-activated KSP motor domain ATPase activity after 15 mins by luciferase-derived luminescence assay


J Med Chem 54: 4839-46 (2011)


Article DOI: 10.1021/jm200448n
BindingDB Entry DOI: 10.7270/Q20V8D5G
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM36350
PNG
(6-[4-(Trifluoromethyl)phenyl]-3,4-dihydro-2(1H)-qu...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C16H12F3NO/c17-16(18,19)13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(21)20-14/h1-3,5-7,9H,4,8H2,(H,20,21)
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n/an/a 46n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged microtubule-activated KSP motor domain ATPase activity after 15 mins by luciferase-derived luminescence assay


J Med Chem 54: 4839-46 (2011)


Article DOI: 10.1021/jm200448n
BindingDB Entry DOI: 10.7270/Q20V8D5G
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(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 1


(Homo sapiens (Human))
BDBM50017888
PNG
(CHEMBL3289010)
Show SMILES FC(F)(F)c1ccnc(Nc2ccc3NC(=O)CCCc3c2)c1
Show InChI InChI=1S/C16H14F3N3O/c17-16(18,19)11-6-7-20-14(9-11)21-12-4-5-13-10(8-12)2-1-3-15(23)22-13/h4-9H,1-3H2,(H,20,21)(H,22,23)
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n/an/a 50n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged KSP ATPase motor domain (unknown origin) expressed in bacteria incubated for 30 mins prior to ATP addition measur...


Bioorg Med Chem 22: 3171-9 (2014)


Article DOI: 10.1016/j.bmc.2014.04.008
BindingDB Entry DOI: 10.7270/Q2ST7RD5
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50017884
PNG
(CHEMBL3289006)
Show SMILES FC(F)(F)c1cccc(Nc2ccc3NC(=O)CCCc3c2)c1
Show InChI InChI=1S/C17H15F3N2O/c18-17(19,20)12-4-2-5-13(10-12)21-14-7-8-15-11(9-14)3-1-6-16(23)22-15/h2,4-5,7-10,21H,1,3,6H2,(H,22,23)
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n/an/a 50n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged KSP ATPase motor domain (unknown origin) expressed in bacteria incubated for 30 mins prior to ATP addition measur...


Bioorg Med Chem 22: 3171-9 (2014)


Article DOI: 10.1016/j.bmc.2014.04.008
BindingDB Entry DOI: 10.7270/Q2ST7RD5
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50017881
PNG
(CHEMBL3289003)
Show SMILES FC(F)(F)c1cccc(Nc2ccc3NC(=O)CSc3c2)c1
Show InChI InChI=1S/C15H11F3N2OS/c16-15(17,18)9-2-1-3-10(6-9)19-11-4-5-12-13(7-11)22-8-14(21)20-12/h1-7,19H,8H2,(H,20,21)
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n/an/a 51n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged KSP ATPase motor domain (unknown origin) expressed in bacteria incubated for 30 mins prior to ATP addition measur...


Bioorg Med Chem 22: 3171-9 (2014)


Article DOI: 10.1016/j.bmc.2014.04.008
BindingDB Entry DOI: 10.7270/Q2ST7RD5
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50347606
PNG
(CHEMBL1802986)
Show SMILES FC(F)(F)c1ccc2c(c1)[nH]c1cnccc21
Show InChI InChI=1S/C12H7F3N2/c13-12(14,15)7-1-2-8-9-3-4-16-6-11(9)17-10(8)5-7/h1-6,17H
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n/an/a 52n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged KSP ATPase motor domain (unknown origin) expressed in bacteria incubated for 30 mins prior to ATP addition measur...


Bioorg Med Chem 22: 3171-9 (2014)


Article DOI: 10.1016/j.bmc.2014.04.008
BindingDB Entry DOI: 10.7270/Q2ST7RD5
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50347606
PNG
(CHEMBL1802986)
Show SMILES FC(F)(F)c1ccc2c(c1)[nH]c1cnccc21
Show InChI InChI=1S/C12H7F3N2/c13-12(14,15)7-1-2-8-9-3-4-16-6-11(9)17-10(8)5-7/h1-6,17H
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n/an/a 52n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged microtubule-activated KSP motor domain ATPase activity after 15 mins by luciferase-derived luminescence assay


J Med Chem 54: 4839-46 (2011)


Article DOI: 10.1021/jm200448n
BindingDB Entry DOI: 10.7270/Q20V8D5G
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50347617
PNG
(CHEMBL1803021)
Show SMILES FC(F)(F)c1ccc2c(c1)[nH]c1c3CCCC(=O)Nc3ccc21
Show InChI InChI=1S/C17H13F3N2O/c18-17(19,20)9-4-5-10-11-6-7-13-12(2-1-3-15(23)21-13)16(11)22-14(10)8-9/h4-8,22H,1-3H2,(H,21,23)
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n/an/a 58n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged microtubule-activated KSP motor domain ATPase activity after 15 mins by luciferase-derived luminescence assay


J Med Chem 54: 4839-46 (2011)


Article DOI: 10.1021/jm200448n
BindingDB Entry DOI: 10.7270/Q20V8D5G
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50131893
PNG
(CHEMBL3633541)
Show SMILES N[C@@H](CSC1(c2ccc(cc2)C(F)(F)F)c2ccccc2CSc2ccccc12)C(O)=O
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 1


(Homo sapiens (Human))
BDBM50017838
PNG
(CHEMBL3288994)
Show SMILES FC(F)(F)c1ccnc(Nc2ccc3NC(=O)CCc3c2)c1
Show InChI InChI=1S/C15H12F3N3O/c16-15(17,18)10-5-6-19-13(8-10)20-11-2-3-12-9(7-11)1-4-14(22)21-12/h2-3,5-8H,1,4H2,(H,19,20)(H,21,22)
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n/an/a 68n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged KSP ATPase motor domain (unknown origin) expressed in bacteria incubated for 30 mins prior to ATP addition measur...


Bioorg Med Chem 22: 3171-9 (2014)


Article DOI: 10.1016/j.bmc.2014.04.008
BindingDB Entry DOI: 10.7270/Q2ST7RD5
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50131879
PNG
(CHEMBL3633540)
Show SMILES N[C@@H](CSC1(c2ccc(cc2)C(F)(F)F)c2ccccc2COc2ccccc12)C(O)=O
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 1


(Homo sapiens (Human))
BDBM50347612
PNG
(CHEMBL1803016)
Show SMILES FC(F)(F)c1ccc2c(c1)[nH]c1ccc3NC(=O)CCc3c21
Show InChI InChI=1S/C16H11F3N2O/c17-16(18,19)8-1-2-10-13(7-8)20-12-5-4-11-9(15(10)12)3-6-14(22)21-11/h1-2,4-5,7,20H,3,6H2,(H,21,22)
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n/an/a 84n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged microtubule-activated KSP motor domain ATPase activity after 15 mins by luciferase-derived luminescence assay


J Med Chem 54: 4839-46 (2011)


Article DOI: 10.1021/jm200448n
BindingDB Entry DOI: 10.7270/Q20V8D5G
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50017706
PNG
(CHEMBL3288964)
Show SMILES CC(=O)Nc1ccc2c(c1)[nH]c1cc(ccc21)C(F)(F)F
Show InChI InChI=1S/C15H11F3N2O/c1-8(21)19-10-3-5-12-11-4-2-9(15(16,17)18)6-13(11)20-14(12)7-10/h2-7,20H,1H3,(H,19,21)
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n/an/a 85n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged KSP ATPase motor domain (unknown origin) expressed in bacteria incubated for 30 mins prior to ATP addition measur...


Bioorg Med Chem 22: 3171-9 (2014)


Article DOI: 10.1016/j.bmc.2014.04.008
BindingDB Entry DOI: 10.7270/Q2ST7RD5
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50347613
PNG
(CHEMBL1803017)
Show SMILES NC(=O)Nc1ccc2c(c1)[nH]c1cc(ccc21)C(F)(F)F
Show InChI InChI=1S/C14H10F3N3O/c15-14(16,17)7-1-3-9-10-4-2-8(19-13(18)21)6-12(10)20-11(9)5-7/h1-6,20H,(H3,18,19,21)
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n/an/a 85n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged microtubule-activated KSP motor domain ATPase activity after 15 mins by luciferase-derived luminescence assay


J Med Chem 54: 4839-46 (2011)


Article DOI: 10.1021/jm200448n
BindingDB Entry DOI: 10.7270/Q20V8D5G
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50347607
PNG
(CHEMBL1802987)
Show SMILES FC(F)(F)c1ccc2c(c1)[nH]c1ccncc21
Show InChI InChI=1S/C12H7F3N2/c13-12(14,15)7-1-2-8-9-6-16-4-3-10(9)17-11(8)5-7/h1-6,17H
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n/an/a 95n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged KSP ATPase motor domain (unknown origin) expressed in bacteria incubated for 30 mins prior to ATP addition measur...


Bioorg Med Chem 22: 3171-9 (2014)


Article DOI: 10.1016/j.bmc.2014.04.008
BindingDB Entry DOI: 10.7270/Q2ST7RD5
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50347607
PNG
(CHEMBL1802987)
Show SMILES FC(F)(F)c1ccc2c(c1)[nH]c1ccncc21
Show InChI InChI=1S/C12H7F3N2/c13-12(14,15)7-1-2-8-9-6-16-4-3-10(9)17-11(8)5-7/h1-6,17H
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n/an/a 95n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged microtubule-activated KSP motor domain ATPase activity after 15 mins by luciferase-derived luminescence assay


J Med Chem 54: 4839-46 (2011)


Article DOI: 10.1021/jm200448n
BindingDB Entry DOI: 10.7270/Q20V8D5G
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50220185
PNG
(1-(3-fluoro-4'-(trifluoromethyl)biphenyl-4-yl)urea...)
Show SMILES NC(=O)Nc1ccc(cc1F)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H10F4N2O/c15-11-7-9(3-6-12(11)20-13(19)21)8-1-4-10(5-2-8)14(16,17)18/h1-7H,(H3,19,20,21)
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n/an/a 100n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged microtubule-activated KSP motor domain ATPase activity after 15 mins by luciferase-derived luminescence assay


J Med Chem 54: 4839-46 (2011)


Article DOI: 10.1021/jm200448n
BindingDB Entry DOI: 10.7270/Q20V8D5G
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50347614
PNG
(CHEMBL1803018)
Show SMILES NC(=O)Nc1ccc2[nH]c3cc(ccc3c2c1)C(F)(F)F
Show InChI InChI=1S/C14H10F3N3O/c15-14(16,17)7-1-3-9-10-6-8(19-13(18)21)2-4-11(10)20-12(9)5-7/h1-6,20H,(H3,18,19,21)
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n/an/a 120n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged microtubule-activated KSP motor domain ATPase activity after 15 mins by luciferase-derived luminescence assay


J Med Chem 54: 4839-46 (2011)


Article DOI: 10.1021/jm200448n
BindingDB Entry DOI: 10.7270/Q20V8D5G
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50347614
PNG
(CHEMBL1803018)
Show SMILES NC(=O)Nc1ccc2[nH]c3cc(ccc3c2c1)C(F)(F)F
Show InChI InChI=1S/C14H10F3N3O/c15-14(16,17)7-1-3-9-10-6-8(19-13(18)21)2-4-11(10)20-12(9)5-7/h1-6,20H,(H3,18,19,21)
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n/an/a 120n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged KSP ATPase motor domain (unknown origin) expressed in bacteria incubated for 30 mins prior to ATP addition measur...


Bioorg Med Chem 22: 3171-9 (2014)


Article DOI: 10.1016/j.bmc.2014.04.008
BindingDB Entry DOI: 10.7270/Q2ST7RD5
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(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 1


(Homo sapiens (Human))
BDBM50220162
PNG
(CHEMBL243883 | N-[4'-(trifluoromethyl)-4-biphenyly...)
Show SMILES NC(=O)Nc1ccc(cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H11F3N2O/c15-14(16,17)11-5-1-9(2-6-11)10-3-7-12(8-4-10)19-13(18)20/h1-8H,(H3,18,19,20)
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n/an/a 140n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged microtubule-activated KSP motor domain ATPase activity after 15 mins by luciferase-derived luminescence assay


J Med Chem 54: 4839-46 (2011)


Article DOI: 10.1021/jm200448n
BindingDB Entry DOI: 10.7270/Q20V8D5G
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(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
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
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50131848
PNG
(CHEMBL3633532)
Show SMILES N[C@@H](CSC1(c2cccc(Cl)c2)c2ccccc2CCc2ccccc12)C(O)=O
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 1


(Homo sapiens (Human))
BDBM50017772
PNG
(CHEMBL3288983)
Show SMILES CC(C)(C)c1cccc(Nc2ccc3NC(=O)CCc3c2)c1
Show InChI InChI=1S/C19H22N2O/c1-19(2,3)14-5-4-6-15(12-14)20-16-8-9-17-13(11-16)7-10-18(22)21-17/h4-6,8-9,11-12,20H,7,10H2,1-3H3,(H,21,22)
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n/an/a 160n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged KSP ATPase motor domain (unknown origin) expressed in bacteria incubated for 30 mins prior to ATP addition measur...


Bioorg Med Chem 22: 3171-9 (2014)


Article DOI: 10.1016/j.bmc.2014.04.008
BindingDB Entry DOI: 10.7270/Q2ST7RD5
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(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
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
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50347618
PNG
(CHEMBL1803022)
Show SMILES FC(F)(F)c1ccc2c(c1)[nH]c1cc3[nH]ccc3cc21
Show InChI InChI=1S/C15H9F3N2/c16-15(17,18)9-1-2-10-11-5-8-3-4-19-12(8)7-14(11)20-13(10)6-9/h1-7,19-20H
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n/an/a 170n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged microtubule-activated KSP motor domain ATPase activity after 15 mins by luciferase-derived luminescence assay


J Med Chem 54: 4839-46 (2011)


Article DOI: 10.1021/jm200448n
BindingDB Entry DOI: 10.7270/Q20V8D5G
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50347611
PNG
(CHEMBL1802991)
Show SMILES FC(F)(F)c1ccc2c(c1)[nH]c1cc3CCC(=O)Nc3cc21
Show InChI InChI=1S/C16H11F3N2O/c17-16(18,19)9-2-3-10-11-7-12-8(1-4-15(22)21-12)5-13(11)20-14(10)6-9/h2-3,5-7,20H,1,4H2,(H,21,22)
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n/an/a 180n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged microtubule-activated KSP motor domain ATPase activity after 15 mins by luciferase-derived luminescence assay


J Med Chem 54: 4839-46 (2011)


Article DOI: 10.1021/jm200448n
BindingDB Entry DOI: 10.7270/Q20V8D5G
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50017883
PNG
(CHEMBL3289005)
Show SMILES FC(F)(F)c1cccc(Nc2ccc3NC(=S)CCc3c2)c1
Show InChI InChI=1S/C16H13F3N2S/c17-16(18,19)11-2-1-3-12(9-11)20-13-5-6-14-10(8-13)4-7-15(22)21-14/h1-3,5-6,8-9,20H,4,7H2,(H,21,22)
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n/an/a 190n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged KSP ATPase motor domain (unknown origin) expressed in bacteria incubated for 30 mins prior to ATP addition measur...


Bioorg Med Chem 22: 3171-9 (2014)


Article DOI: 10.1016/j.bmc.2014.04.008
BindingDB Entry DOI: 10.7270/Q2ST7RD5
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50131857
PNG
(CHEMBL3633364)
Show SMILES N[C@@H](CSC1(c2ccccc2)c2ccccc2CCc2ccccc12)C(O)=O
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 1


(Homo sapiens (Human))
BDBM50322579
PNG
(2-(trifluoromethyl)-9H-carbazole | CHEMBL1173704)
Show SMILES FC(F)(F)c1ccc2c(c1)[nH]c1ccccc21
Show InChI InChI=1S/C13H8F3N/c14-13(15,16)8-5-6-10-9-3-1-2-4-11(9)17-12(10)7-8/h1-7,17H
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n/an/a 210n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged microtubule-activated KSP motor domain ATPase activity after 15 mins by luciferase-derived luminescence assay


J Med Chem 54: 4839-46 (2011)


Article DOI: 10.1021/jm200448n
BindingDB Entry DOI: 10.7270/Q20V8D5G
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50322579
PNG
(2-(trifluoromethyl)-9H-carbazole | CHEMBL1173704)
Show SMILES FC(F)(F)c1ccc2c(c1)[nH]c1ccccc21
Show InChI InChI=1S/C13H8F3N/c14-13(15,16)8-5-6-10-9-3-1-2-4-11(9)17-12(10)7-8/h1-7,17H
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n/an/a 210n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged KSP ATPase motor domain (unknown origin) expressed in bacteria incubated for 30 mins prior to ATP addition measur...


Bioorg Med Chem 22: 3171-9 (2014)


Article DOI: 10.1016/j.bmc.2014.04.008
BindingDB Entry DOI: 10.7270/Q2ST7RD5
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(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
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