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Compile Data Set for Download or QSAR

Found 35 hits Enz. Inhib. hit(s) with Target = 'Kinesin heavy chain isoform 5A' AND taxid = 9606   
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 heavy chain isoform 5A


(Homo sapiens (Human))
BDBM50252149
PNG
((2S)-4-(2,5-difluorophenyl)-N-[(3R,4S)-3-fluoro-1-...)
Show SMILES CN([C@H]1CCN(C)C[C@H]1F)C(=O)N1CC(=C[C@@]1(CO)c1ccccc1)c1cc(F)ccc1F |r,c:15|
Show InChI InChI=1S/C25H28F3N3O2/c1-29-11-10-23(22(28)15-29)30(2)24(33)31-14-17(20-12-19(26)8-9-21(20)27)13-25(31,16-32)18-6-4-3-5-7-18/h3-9,12-13,22-23,32H,10-11,14-16H2,1-2H3/t22-,23+,25-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cloned human nKHC


J Med Chem 51: 4239-52 (2008)


Article DOI: 10.1021/jm800386y
BindingDB Entry DOI: 10.7270/Q26D5SSB
More data for this
Ligand-Target Pair
Kinesin heavy chain isoform 5A


(Homo sapiens (Human))
BDBM50383087
PNG
(CHEMBL2031572)
Show SMILES Cc1ccc(cc1C)-n1c2nc(nc(C(N)=O)c2[nH]c1=O)-c1ccc(F)cc1F
Show InChI InChI=1S/C20H15F2N5O2/c1-9-3-5-12(7-10(9)2)27-19-16(25-20(27)29)15(17(23)28)24-18(26-19)13-6-4-11(21)8-14(13)22/h3-8H,1-2H3,(H2,23,28)(H,25,29)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human Kif5A ATPase activity by pyruvate kinase/lactate dehydrogenase-linked assay


J Med Chem 55: 2561-73 (2012)


Article DOI: 10.1021/jm201290v
BindingDB Entry DOI: 10.7270/Q2M909P0
More data for this
Ligand-Target Pair
Kinesin heavy chain isoform 5A


(Homo sapiens (Human))
BDBM50293745
PNG
(2-(4-sulfamoylphenylamino)-1-(1-(2-(trifluoromethy...)
Show SMILES CC(c1ccccc1C(F)(F)F)n1c(Nc2ccc(cc2)S(N)(=O)=O)nc2cc(ccc12)C(N)=O
Show InChI InChI=1S/C23H20F3N5O3S/c1-13(17-4-2-3-5-18(17)23(24,25)26)31-20-11-6-14(21(27)32)12-19(20)30-22(31)29-15-7-9-16(10-8-15)35(28,33)34/h2-13H,1H3,(H2,27,32)(H,29,30)(H2,28,33,34)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of nKHC


Bioorg Med Chem Lett 19: 3405-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.040
BindingDB Entry DOI: 10.7270/Q2MS3SS3
More data for this
Ligand-Target Pair
Kinesin heavy chain isoform 5A


(Homo sapiens (Human))
BDBM50293746
PNG
(1-(1-phenylcyclopropyl)-2-(4-sulfamoylphenylamino)...)
Show SMILES NC(=O)c1ccc2n(c(Nc3ccc(cc3)S(N)(=O)=O)nc2c1)C1(CC1)c1ccccc1
Show InChI InChI=1S/C23H21N5O3S/c24-21(29)15-6-11-20-19(14-15)27-22(26-17-7-9-18(10-8-17)32(25,30)31)28(20)23(12-13-23)16-4-2-1-3-5-16/h1-11,14H,12-13H2,(H2,24,29)(H,26,27)(H2,25,30,31)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of nKHC


Bioorg Med Chem Lett 19: 3405-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.040
BindingDB Entry DOI: 10.7270/Q2MS3SS3
More data for this
Ligand-Target Pair
Kinesin heavy chain isoform 5A


(Homo sapiens (Human))
BDBM50293747
PNG
(1-(pyridin-2-ylmethyl)-2-(4-sulfamoylphenylamino)-...)
Show SMILES NC(=O)c1ccc2n(Cc3ccccn3)c(Nc3ccc(cc3)S(N)(=O)=O)nc2c1
Show InChI InChI=1S/C20H18N6O3S/c21-19(27)13-4-9-18-17(11-13)25-20(26(18)12-15-3-1-2-10-23-15)24-14-5-7-16(8-6-14)30(22,28)29/h1-11H,12H2,(H2,21,27)(H,24,25)(H2,22,28,29)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of nKHC


Bioorg Med Chem Lett 19: 3405-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.040
BindingDB Entry DOI: 10.7270/Q2MS3SS3
More data for this
Ligand-Target Pair
Kinesin heavy chain isoform 5A


(Homo sapiens (Human))
BDBM50293748
PNG
(1-(2-methoxybenzyl)-2-(4-sulfamoylphenylamino)-1H-...)
Show SMILES COc1ccccc1Cn1c(Nc2ccc(cc2)S(N)(=O)=O)nc2cc(ccc12)C(N)=O
Show InChI InChI=1S/C22H21N5O4S/c1-31-20-5-3-2-4-15(20)13-27-19-11-6-14(21(23)28)12-18(19)26-22(27)25-16-7-9-17(10-8-16)32(24,29)30/h2-12H,13H2,1H3,(H2,23,28)(H,25,26)(H2,24,29,30)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of nKHC


Bioorg Med Chem Lett 19: 3405-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.040
BindingDB Entry DOI: 10.7270/Q2MS3SS3
More data for this
Ligand-Target Pair
Kinesin heavy chain isoform 5A


(Homo sapiens (Human))
BDBM50293749
PNG
(1-(2,3-dimethoxybenzyl)-2-(4-sulfamoylphenylamino)...)
Show SMILES COc1cccc(Cn2c(Nc3ccc(cc3)S(N)(=O)=O)nc3cc(ccc23)C(N)=O)c1OC
Show InChI InChI=1S/C23H23N5O5S/c1-32-20-5-3-4-15(21(20)33-2)13-28-19-11-6-14(22(24)29)12-18(19)27-23(28)26-16-7-9-17(10-8-16)34(25,30)31/h3-12H,13H2,1-2H3,(H2,24,29)(H,26,27)(H2,25,30,31)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of nKHC


Bioorg Med Chem Lett 19: 3405-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.040
BindingDB Entry DOI: 10.7270/Q2MS3SS3
More data for this
Ligand-Target Pair
Kinesin heavy chain isoform 5A


(Homo sapiens (Human))
BDBM50293750
PNG
(1-(benzo[d]thiazol-2-ylmethyl)-2-(4-sulfamoylpheny...)
Show SMILES NC(=O)c1ccc2n(Cc3nc4ccccc4s3)c(Nc3ccc(cc3)S(N)(=O)=O)nc2c1
Show InChI InChI=1S/C22H18N6O3S2/c23-21(29)13-5-10-18-17(11-13)27-22(25-14-6-8-15(9-7-14)33(24,30)31)28(18)12-20-26-16-3-1-2-4-19(16)32-20/h1-11H,12H2,(H2,23,29)(H,25,27)(H2,24,30,31)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of nKHC


Bioorg Med Chem Lett 19: 3405-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.040
BindingDB Entry DOI: 10.7270/Q2MS3SS3
More data for this
Ligand-Target Pair
Kinesin heavy chain isoform 5A


(Homo sapiens (Human))
BDBM50293751
PNG
(1-((5-chlorobenzo[b]thiophen-3-yl)methyl)-2-(4-sul...)
Show SMILES NC(=O)c1ccc2n(Cc3csc4ccc(Cl)cc34)c(Nc3ccc(cc3)S(N)(=O)=O)nc2c1
Show InChI InChI=1S/C23H18ClN5O3S2/c24-15-2-8-21-18(10-15)14(12-33-21)11-29-20-7-1-13(22(25)30)9-19(20)28-23(29)27-16-3-5-17(6-4-16)34(26,31)32/h1-10,12H,11H2,(H2,25,30)(H,27,28)(H2,26,31,32)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of nKHC


Bioorg Med Chem Lett 19: 3405-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.040
BindingDB Entry DOI: 10.7270/Q2MS3SS3
More data for this
Ligand-Target Pair
Kinesin heavy chain isoform 5A


(Homo sapiens (Human))
BDBM50293752
PNG
(1-(benzo[b]thiophen-3-ylmethyl)-2-(4-sulfamoylphen...)
Show SMILES NC(=O)c1ccc2n(Cc3csc4ccccc34)c(Nc3ccc(cc3)S(N)(=O)=O)nc2c1
Show InChI InChI=1S/C23H19N5O3S2/c24-22(29)14-5-10-20-19(11-14)27-23(26-16-6-8-17(9-7-16)33(25,30)31)28(20)12-15-13-32-21-4-2-1-3-18(15)21/h1-11,13H,12H2,(H2,24,29)(H,26,27)(H2,25,30,31)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of nKHC


Bioorg Med Chem Lett 19: 3405-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.040
BindingDB Entry DOI: 10.7270/Q2MS3SS3
More data for this
Ligand-Target Pair
Kinesin heavy chain isoform 5A


(Homo sapiens (Human))
BDBM50293753
PNG
(2-(4-(methylsulfonyl)phenylamino)-1-(2-(trifluorom...)
Show SMILES CS(=O)(=O)c1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(N)=O)cc1
Show InChI InChI=1S/C23H19F3N4O3S/c1-34(32,33)17-9-7-16(8-10-17)28-22-29-19-12-14(21(27)31)6-11-20(19)30(22)13-15-4-2-3-5-18(15)23(24,25)26/h2-12H,13H2,1H3,(H2,27,31)(H,28,29)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of nKHC


Bioorg Med Chem Lett 19: 3405-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.040
BindingDB Entry DOI: 10.7270/Q2MS3SS3
More data for this
Ligand-Target Pair
Kinesin heavy chain isoform 5A


(Homo sapiens (Human))
BDBM50293754
PNG
(2-(4-methoxyphenylamino)-1-(2-(trifluoromethyl)ben...)
Show SMILES COc1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(N)=O)cc1
Show InChI InChI=1S/C23H19F3N4O2/c1-32-17-9-7-16(8-10-17)28-22-29-19-12-14(21(27)31)6-11-20(19)30(22)13-15-4-2-3-5-18(15)23(24,25)26/h2-12H,13H2,1H3,(H2,27,31)(H,28,29)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of nKHC


Bioorg Med Chem Lett 19: 3405-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.040
BindingDB Entry DOI: 10.7270/Q2MS3SS3
More data for this
Ligand-Target Pair
Kinesin heavy chain isoform 5A


(Homo sapiens (Human))
BDBM50293755
PNG
(2-(3-fluoro-4-methoxyphenylamino)-1-(2-(trifluorom...)
Show SMILES COc1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(N)=O)cc1F
Show InChI InChI=1S/C23H18F4N4O2/c1-33-20-9-7-15(11-17(20)24)29-22-30-18-10-13(21(28)32)6-8-19(18)31(22)12-14-4-2-3-5-16(14)23(25,26)27/h2-11H,12H2,1H3,(H2,28,32)(H,29,30)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of nKHC


Bioorg Med Chem Lett 19: 3405-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.040
BindingDB Entry DOI: 10.7270/Q2MS3SS3
More data for this
Ligand-Target Pair
Kinesin heavy chain isoform 5A


(Homo sapiens (Human))
BDBM50293756
PNG
(2-(4-(methylthio)phenylamino)-1-(2-(trifluoromethy...)
Show SMILES CSc1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(N)=O)cc1
Show InChI InChI=1S/C23H19F3N4OS/c1-32-17-9-7-16(8-10-17)28-22-29-19-12-14(21(27)31)6-11-20(19)30(22)13-15-4-2-3-5-18(15)23(24,25)26/h2-12H,13H2,1H3,(H2,27,31)(H,28,29)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of nKHC


Bioorg Med Chem Lett 19: 3405-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.040
BindingDB Entry DOI: 10.7270/Q2MS3SS3
More data for this
Ligand-Target Pair
Kinesin heavy chain isoform 5A


(Homo sapiens (Human))
BDBM50293757
PNG
(2-(4-sulfamoylphenylamino)-1-(2-(trifluoromethyl)b...)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(O)=O)cc1
Show InChI InChI=1S/C22H17F3N4O4S/c23-22(24,25)17-4-2-1-3-14(17)12-29-19-10-5-13(20(30)31)11-18(19)28-21(29)27-15-6-8-16(9-7-15)34(26,32)33/h1-11H,12H2,(H,27,28)(H,30,31)(H2,26,32,33)
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Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of nKHC


Bioorg Med Chem Lett 19: 3405-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.040
BindingDB Entry DOI: 10.7270/Q2MS3SS3
More data for this
Ligand-Target Pair
Kinesin heavy chain isoform 5A


(Homo sapiens (Human))
BDBM50293758
PNG
(2-(4-(methylsulfonyl)phenylamino)-1-(2-(trifluorom...)
Show SMILES CS(=O)(=O)c1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(O)=O)cc1
Show InChI InChI=1S/C23H18F3N3O4S/c1-34(32,33)17-9-7-16(8-10-17)27-22-28-19-12-14(21(30)31)6-11-20(19)29(22)13-15-4-2-3-5-18(15)23(24,25)26/h2-12H,13H2,1H3,(H,27,28)(H,30,31)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of nKHC


Bioorg Med Chem Lett 19: 3405-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.040
BindingDB Entry DOI: 10.7270/Q2MS3SS3
More data for this
Ligand-Target Pair
Kinesin heavy chain isoform 5A


(Homo sapiens (Human))
BDBM50293759
PNG
(2-(4-methoxyphenylamino)-1-(2-(trifluoromethyl)ben...)
Show SMILES COc1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(O)=O)cc1
Show InChI InChI=1S/C23H18F3N3O3/c1-32-17-9-7-16(8-10-17)27-22-28-19-12-14(21(30)31)6-11-20(19)29(22)13-15-4-2-3-5-18(15)23(24,25)26/h2-12H,13H2,1H3,(H,27,28)(H,30,31)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of nKHC


Bioorg Med Chem Lett 19: 3405-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.040
BindingDB Entry DOI: 10.7270/Q2MS3SS3
More data for this
Ligand-Target Pair
Kinesin heavy chain isoform 5A


(Homo sapiens (Human))
BDBM50293760
PNG
(2-(3-fluoro-4-methoxyphenylamino)-1-(2-(trifluorom...)
Show SMILES COc1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(O)=O)cc1F
Show InChI InChI=1S/C23H17F4N3O3/c1-33-20-9-7-15(11-17(20)24)28-22-29-18-10-13(21(31)32)6-8-19(18)30(22)12-14-4-2-3-5-16(14)23(25,26)27/h2-11H,12H2,1H3,(H,28,29)(H,31,32)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of nKHC


Bioorg Med Chem Lett 19: 3405-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.040
BindingDB Entry DOI: 10.7270/Q2MS3SS3
More data for this
Ligand-Target Pair
Kinesin heavy chain isoform 5A


(Homo sapiens (Human))
BDBM50293761
PNG
(2-(4-(methylthio)phenylamino)-1-(2-(trifluoromethy...)
Show SMILES CSc1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(O)=O)cc1
Show InChI InChI=1S/C23H18F3N3O2S/c1-32-17-9-7-16(8-10-17)27-22-28-19-12-14(21(30)31)6-11-20(19)29(22)13-15-4-2-3-5-18(15)23(24,25)26/h2-12H,13H2,1H3,(H,27,28)(H,30,31)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of nKHC


Bioorg Med Chem Lett 19: 3405-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.040
BindingDB Entry DOI: 10.7270/Q2MS3SS3
More data for this
Ligand-Target Pair
Kinesin heavy chain isoform 5A


(Homo sapiens (Human))
BDBM50293762
PNG
(CHEMBL558477 | methyl 2-(4-sulfamoylphenylamino)-1...)
Show SMILES COC(=O)c1ccc2n(Cc3ccccc3C(F)(F)F)c(Nc3ccc(cc3)S(N)(=O)=O)nc2c1
Show InChI InChI=1S/C23H19F3N4O4S/c1-34-21(31)14-6-11-20-19(12-14)29-22(28-16-7-9-17(10-8-16)35(27,32)33)30(20)13-15-4-2-3-5-18(15)23(24,25)26/h2-12H,13H2,1H3,(H,28,29)(H2,27,32,33)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of nKHC


Bioorg Med Chem Lett 19: 3405-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.040
BindingDB Entry DOI: 10.7270/Q2MS3SS3
More data for this
Ligand-Target Pair
Kinesin heavy chain isoform 5A


(Homo sapiens (Human))
BDBM50293763
PNG
(CHEMBL551230 | methyl 2-(4-methoxyphenylamino)-1-(...)
Show SMILES COC(=O)c1ccc2n(Cc3ccccc3C(F)(F)F)c(Nc3ccc(OC)cc3)nc2c1
Show InChI InChI=1S/C24H20F3N3O3/c1-32-18-10-8-17(9-11-18)28-23-29-20-13-15(22(31)33-2)7-12-21(20)30(23)14-16-5-3-4-6-19(16)24(25,26)27/h3-13H,14H2,1-2H3,(H,28,29)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of nKHC


Bioorg Med Chem Lett 19: 3405-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.040
BindingDB Entry DOI: 10.7270/Q2MS3SS3
More data for this
Ligand-Target Pair
Kinesin heavy chain isoform 5A


(Homo sapiens (Human))
BDBM50293764
PNG
(CHEMBL549531 | methyl 2-(4-(methylthio)phenylamino...)
Show SMILES COC(=O)c1ccc2n(Cc3ccccc3C(F)(F)F)c(Nc3ccc(SC)cc3)nc2c1
Show InChI InChI=1S/C24H20F3N3O2S/c1-32-22(31)15-7-12-21-20(13-15)29-23(28-17-8-10-18(33-2)11-9-17)30(21)14-16-5-3-4-6-19(16)24(25,26)27/h3-13H,14H2,1-2H3,(H,28,29)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of nKHC


Bioorg Med Chem Lett 19: 3405-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.040
BindingDB Entry DOI: 10.7270/Q2MS3SS3
More data for this
Ligand-Target Pair
Kinesin heavy chain isoform 5A


(Homo sapiens (Human))
BDBM50293765
PNG
(2-(4-methoxyphenylamino)-N-methyl-1-(2-(trifluorom...)
Show SMILES CNC(=O)c1ccc2n(Cc3ccccc3C(F)(F)F)c(Nc3ccc(OC)cc3)nc2c1
Show InChI InChI=1S/C24H21F3N4O2/c1-28-22(32)15-7-12-21-20(13-15)30-23(29-17-8-10-18(33-2)11-9-17)31(21)14-16-5-3-4-6-19(16)24(25,26)27/h3-13H,14H2,1-2H3,(H,28,32)(H,29,30)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of nKHC


Bioorg Med Chem Lett 19: 3405-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.040
BindingDB Entry DOI: 10.7270/Q2MS3SS3
More data for this
Ligand-Target Pair
Kinesin heavy chain isoform 5A


(Homo sapiens (Human))
BDBM50293766
PNG
(CHEMBL562353 | N-methyl-2-(4-sulfamoylphenylamino)...)
Show SMILES CNC(=O)c1ccc2n(Cc3ccccc3C(F)(F)F)c(Nc3ccc(cc3)S(N)(=O)=O)nc2c1
Show InChI InChI=1S/C23H20F3N5O3S/c1-28-21(32)14-6-11-20-19(12-14)30-22(29-16-7-9-17(10-8-16)35(27,33)34)31(20)13-15-4-2-3-5-18(15)23(24,25)26/h2-12H,13H2,1H3,(H,28,32)(H,29,30)(H2,27,33,34)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of nKHC


Bioorg Med Chem Lett 19: 3405-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.040
BindingDB Entry DOI: 10.7270/Q2MS3SS3
More data for this
Ligand-Target Pair
Kinesin heavy chain isoform 5A


(Homo sapiens (Human))
BDBM50293767
PNG
(CHEMBL559627 | N,N-dimethyl-2-(4-sulfamoylphenylam...)
Show SMILES CN(C)C(=O)c1ccc2n(Cc3ccccc3C(F)(F)F)c(Nc3ccc(cc3)S(N)(=O)=O)nc2c1
Show InChI InChI=1S/C24H22F3N5O3S/c1-31(2)22(33)15-7-12-21-20(13-15)30-23(29-17-8-10-18(11-9-17)36(28,34)35)32(21)14-16-5-3-4-6-19(16)24(25,26)27/h3-13H,14H2,1-2H3,(H,29,30)(H2,28,34,35)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of nKHC


Bioorg Med Chem Lett 19: 3405-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.040
BindingDB Entry DOI: 10.7270/Q2MS3SS3
More data for this
Ligand-Target Pair
Kinesin heavy chain isoform 5A


(Homo sapiens (Human))
BDBM50293768
PNG
(4-(5-(pyrrolidine-1-carbonyl)-1-(2-(trifluoromethy...)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(=O)N2CCCC2)cc1
Show InChI InChI=1S/C26H24F3N5O3S/c27-26(28,29)21-6-2-1-5-18(21)16-34-23-12-7-17(24(35)33-13-3-4-14-33)15-22(23)32-25(34)31-19-8-10-20(11-9-19)38(30,36)37/h1-2,5-12,15H,3-4,13-14,16H2,(H,31,32)(H2,30,36,37)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of nKHC


Bioorg Med Chem Lett 19: 3405-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.040
BindingDB Entry DOI: 10.7270/Q2MS3SS3
More data for this
Ligand-Target Pair
Kinesin heavy chain isoform 5A


(Homo sapiens (Human))
BDBM50293769
PNG
(CHEMBL538431 | N-(2-methoxyphenyl)-2-(4-sulfamoylp...)
Show SMILES COc1ccccc1NC(=O)c1ccc2n(Cc3ccccc3C(F)(F)F)c(Nc3ccc(cc3)S(N)(=O)=O)nc2c1
Show InChI InChI=1S/C29H24F3N5O4S/c1-41-26-9-5-4-8-23(26)35-27(38)18-10-15-25-24(16-18)36-28(34-20-11-13-21(14-12-20)42(33,39)40)37(25)17-19-6-2-3-7-22(19)29(30,31)32/h2-16H,17H2,1H3,(H,34,36)(H,35,38)(H2,33,39,40)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of nKHC


Bioorg Med Chem Lett 19: 3405-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.040
BindingDB Entry DOI: 10.7270/Q2MS3SS3
More data for this
Ligand-Target Pair
Kinesin heavy chain isoform 5A


(Homo sapiens (Human))
BDBM50293770
PNG
(CHEMBL563993 | N-(2-methoxyphenyl)-2-(4-methoxyphe...)
Show SMILES COc1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(=O)Nc2ccccc2OC)cc1
Show InChI InChI=1S/C30H25F3N4O3/c1-39-22-14-12-21(13-15-22)34-29-36-25-17-19(28(38)35-24-9-5-6-10-27(24)40-2)11-16-26(25)37(29)18-20-7-3-4-8-23(20)30(31,32)33/h3-17H,18H2,1-2H3,(H,34,36)(H,35,38)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of nKHC


Bioorg Med Chem Lett 19: 3405-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.040
BindingDB Entry DOI: 10.7270/Q2MS3SS3
More data for this
Ligand-Target Pair
Kinesin heavy chain isoform 5A


(Homo sapiens (Human))
BDBM50293771
PNG
(2-(3-aminopyrrolidin-1-yl)-1-(2-(trifluoromethyl)b...)
Show SMILES NC1CCN(C1)c1nc2cc(ccc2n1Cc1ccccc1C(F)(F)F)C(O)=O
Show InChI InChI=1S/C20H19F3N4O2/c21-20(22,23)15-4-2-1-3-13(15)10-27-17-6-5-12(18(28)29)9-16(17)25-19(27)26-8-7-14(24)11-26/h1-6,9,14H,7-8,10-11,24H2,(H,28,29)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of nKHC


Bioorg Med Chem Lett 19: 3405-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.040
BindingDB Entry DOI: 10.7270/Q2MS3SS3
More data for this
Ligand-Target Pair
Kinesin heavy chain isoform 5A


(Homo sapiens (Human))
BDBM50293772
PNG
(2-(4-methylbenzylamino)-1-(2-(trifluoromethyl)benz...)
Show SMILES Cc1ccc(CNc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(O)=O)cc1
Show InChI InChI=1S/C24H20F3N3O2/c1-15-6-8-16(9-7-15)13-28-23-29-20-12-17(22(31)32)10-11-21(20)30(23)14-18-4-2-3-5-19(18)24(25,26)27/h2-12H,13-14H2,1H3,(H,28,29)(H,31,32)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of nKHC


Bioorg Med Chem Lett 19: 3405-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.040
BindingDB Entry DOI: 10.7270/Q2MS3SS3
More data for this
Ligand-Target Pair
Kinesin heavy chain isoform 5A


(Homo sapiens (Human))
BDBM50293773
PNG
(2-(4-methoxybenzylamino)-1-(2-(trifluoromethyl)ben...)
Show SMILES COc1ccc(CNc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(O)=O)cc1
Show InChI InChI=1S/C24H20F3N3O3/c1-33-18-9-6-15(7-10-18)13-28-23-29-20-12-16(22(31)32)8-11-21(20)30(23)14-17-4-2-3-5-19(17)24(25,26)27/h2-12H,13-14H2,1H3,(H,28,29)(H,31,32)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of nKHC


Bioorg Med Chem Lett 19: 3405-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.040
BindingDB Entry DOI: 10.7270/Q2MS3SS3
More data for this
Ligand-Target Pair
Kinesin heavy chain isoform 5A


(Homo sapiens (Human))
BDBM50293774
PNG
(2-(4-(methylsulfonyl)benzylamino)-1-(2-(trifluorom...)
Show SMILES CS(=O)(=O)c1ccc(CNc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(O)=O)cc1
Show InChI InChI=1S/C24H20F3N3O4S/c1-35(33,34)18-9-6-15(7-10-18)13-28-23-29-20-12-16(22(31)32)8-11-21(20)30(23)14-17-4-2-3-5-19(17)24(25,26)27/h2-12H,13-14H2,1H3,(H,28,29)(H,31,32)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of nKHC


Bioorg Med Chem Lett 19: 3405-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.040
BindingDB Entry DOI: 10.7270/Q2MS3SS3
More data for this
Ligand-Target Pair
Kinesin heavy chain isoform 5A


(Homo sapiens (Human))
BDBM50293775
PNG
(2-(4-sulfamoylbenzylamino)-1-(2-(trifluoromethyl)b...)
Show SMILES NS(=O)(=O)c1ccc(CNc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(O)=O)cc1
Show InChI InChI=1S/C23H19F3N4O4S/c24-23(25,26)18-4-2-1-3-16(18)13-30-20-10-7-15(21(31)32)11-19(20)29-22(30)28-12-14-5-8-17(9-6-14)35(27,33)34/h1-11H,12-13H2,(H,28,29)(H,31,32)(H2,27,33,34)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of nKHC


Bioorg Med Chem Lett 19: 3405-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.040
BindingDB Entry DOI: 10.7270/Q2MS3SS3
More data for this
Ligand-Target Pair
Kinesin heavy chain isoform 5A


(Homo sapiens (Human))
BDBM50293776
PNG
(2-(2-morpholinoethylamino)-1-(2-(trifluoromethyl)b...)
Show SMILES OC(=O)c1ccc2n(Cc3ccccc3C(F)(F)F)c(NCCN3CCOCC3)nc2c1
Show InChI InChI=1S/C22H23F3N4O3/c23-22(24,25)17-4-2-1-3-16(17)14-29-19-6-5-15(20(30)31)13-18(19)27-21(29)26-7-8-28-9-11-32-12-10-28/h1-6,13H,7-12,14H2,(H,26,27)(H,30,31)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of nKHC


Bioorg Med Chem Lett 19: 3405-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.040
BindingDB Entry DOI: 10.7270/Q2MS3SS3
More data for this
Ligand-Target Pair
Kinesin heavy chain isoform 5A


(Homo sapiens (Human))
BDBM50293744
PNG
(2-(4-sulfamoylphenylamino)-1-(2-(trifluoromethyl)b...)
Show SMILES NC(=O)c1ccc2n(Cc3ccccc3C(F)(F)F)c(Nc3ccc(cc3)S(N)(=O)=O)nc2c1
Show InChI InChI=1S/C22H18F3N5O3S/c23-22(24,25)17-4-2-1-3-14(17)12-30-19-10-5-13(20(26)31)11-18(19)29-21(30)28-15-6-8-16(9-7-15)34(27,32)33/h1-11H,12H2,(H2,26,31)(H,28,29)(H2,27,32,33)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of nKHC


Bioorg Med Chem Lett 19: 3405-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.040
BindingDB Entry DOI: 10.7270/Q2MS3SS3
More data for this
Ligand-Target Pair