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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 404.3
BDBM50293771
Wt: 439.4
BDBM50293772
Wt: 455.4
BDBM50293773
Wt: 448.4
BDBM50293776
Wt: 447.5
BDBM50293746
Wt: 422.4
BDBM50293747
Wt: 451.4
BDBM50293748
Wt: 440.4
BDBM50293754
Purchase
Wt: 458.4
BDBM50293755
Purchase
Wt: 456.4
BDBM50293756
Purchase
Wt: 441.4
BDBM50293759
Wt: 457.4
BDBM50293761
Purchase
Wt: 455.4
BDBM50293763
Wt: 454.4
BDBM50293765
Wt: 395.3
BDBM50383087
Displayed 1 to 15 (of 35 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 58 hits in this display   
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)
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 520n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human kinesin spindle protein by endpoint assay


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-like protein 1


(Homo sapiens)
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 1.30E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human kinesin spindle protein by endpoint assay


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-like protein 1


(Homo sapiens)
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 1.40E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human kinesin spindle protein by endpoint assay


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-like protein 1


(Homo sapiens)
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 2.50E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human kinesin spindle protein by endpoint assay


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
Cytochrome P450 2C9


(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>4.00E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 preincubated with compound


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-like protein 1


(Homo sapiens)
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 5.20E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human kinesin spindle protein by endpoint assay


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
Cytochrome P450 2C9


(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>7.00E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 preincubated with compound


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
Cytochrome P450 2C9


(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 8.00E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 coincubated with compound


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-like protein 1


(Homo sapiens)
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 1.34E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human kinesin spindle protein by endpoint assay


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
Cytochrome P450 2C9


(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 1.40E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 coincubated with compound


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
Cytochrome P450 3A


(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>1.50E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 preincubated with compound


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
Cytochrome P450 2D6 (2D6)


(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>1.50E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 preincubated with compound


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
Cytochrome P450 2D6 (2D6)


(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>1.50E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 preincubated with compound


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-like protein 1


(Homo sapiens)
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>2.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human kinesin spindle protein by endpoint assay


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-like protein 1


(Homo sapiens)
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>2.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human kinesin spindle protein by endpoint assay


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-like protein 1


(Homo sapiens)
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>2.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human kinesin spindle protein by endpoint assay


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-like protein 1


(Homo sapiens)
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>2.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human kinesin spindle protein by endpoint assay


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-like protein 1


(Homo sapiens)
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>2.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human kinesin spindle protein by endpoint assay


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-like protein 1


(Homo sapiens)
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>2.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human kinesin spindle protein by endpoint assay


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-like protein 1


(Homo sapiens)
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 2.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human kinesin spindle protein by endpoint assay


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
Cytochrome P450 2D6 (2D6)


(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>3.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 coincubated with compound


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
Cytochrome P450 3A


(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>3.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 coincubated with compound


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
Cytochrome P450 3A


(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>3.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 coincubated with compound


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
Cytochrome P450 2D6 (2D6)


(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>3.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 coincubated with compound


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-like protein 1


(Homo sapiens)
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 4.15E+4n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of Eg5 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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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-like protein KIF3B


(Homo sapiens)
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 Kif3B


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 5C


(Homo sapiens)
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 Kif5C 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-like protein KIF3B


(Homo sapiens)
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 Kif3B


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-like protein KIF3B


(Homo sapiens)
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 Kif3B


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-like protein KIF3B


(Homo sapiens)
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 Kif3B


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-like protein KIF3B


(Homo sapiens)
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 Kif3B


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-like protein KIF3B


(Homo sapiens)
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 Kif3B


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-like protein KIF3B


(Homo sapiens)
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 Kif3B


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-like protein KIF3B


(Homo sapiens)
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 Kif3B


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-like protein KIF3B


(Homo sapiens)
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 Kif3B


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-like protein KIF3B


(Homo sapiens)
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 Kif3B


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
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