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Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with all data for entry = 50045570   
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))
BDBM50068357
PNG
(CHEMBL3402343)
Show SMILES CCC(=O)N1N=C(SC11CCOc2ccccc12)c1cc(F)ccc1F |c:5|
Show InChI InChI=1/C19H16F2N2O2S/c1-2-17(24)23-19(9-10-25-16-6-4-3-5-14(16)19)26-18(22-23)13-11-12(20)7-8-15(13)21/h3-8,11H,2,9-10H2,1H3
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n/an/an/an/a 452n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KSP in human HCT116 cells assessed as phos-histone H3 level by immunofluorescent assay


Bioorg Med Chem 23: 2424-34 (2015)


Article DOI: 10.1016/j.bmc.2015.03.052
BindingDB Entry DOI: 10.7270/Q24F1SF2
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50068401
PNG
(CHEMBL3403391)
Show SMILES CC(=O)N1N=C(S[C@]11[C@H](CCN)COc2cc(F)c(F)cc12)c1cc(F)ccc1F |r,c:4|
Show InChI InChI=1/C20H17F4N3O2S/c1-10(28)27-20(30-19(26-27)13-6-12(21)2-3-15(13)22)11(4-5-25)9-29-18-8-17(24)16(23)7-14(18)20/h2-3,6-8,11H,4-5,9,25H2,1H3/t11-,20+/s2
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n/an/an/an/a 3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KSP in human HCT116 cells assessed as phos-histone H3 level by immunofluorescent assay


Bioorg Med Chem 23: 2424-34 (2015)


Article DOI: 10.1016/j.bmc.2015.03.052
BindingDB Entry DOI: 10.7270/Q24F1SF2
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50068359
PNG
(CHEMBL3402341)
Show SMILES CN1CCC2(SC(=NN2C(C)=O)c2cc(F)ccc2F)c2ccccc12 |c:6|
Show InChI InChI=1/C19H17F2N3OS/c1-12(25)24-19(9-10-23(2)17-6-4-3-5-15(17)19)26-18(22-24)14-11-13(20)7-8-16(14)21/h3-8,11H,9-10H2,1-2H3
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n/an/an/an/a>1.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KSP in human HCT116 cells assessed as phos-histone H3 level by immunofluorescent assay


Bioorg Med Chem 23: 2424-34 (2015)


Article DOI: 10.1016/j.bmc.2015.03.052
BindingDB Entry DOI: 10.7270/Q24F1SF2
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50068360
PNG
(CHEMBL3402340)
Show SMILES CC(=O)N1N=C(SC11CCNc2ccccc12)c1cc(F)ccc1F |c:4|
Show InChI InChI=1/C18H15F2N3OS/c1-11(24)23-18(8-9-21-16-5-3-2-4-14(16)18)25-17(22-23)13-10-12(19)6-7-15(13)20/h2-7,10,21H,8-9H2,1H3
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n/an/an/an/a 179n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KSP in human HCT116 cells assessed as phos-histone H3 level by immunofluorescent assay


Bioorg Med Chem 23: 2424-34 (2015)


Article DOI: 10.1016/j.bmc.2015.03.052
BindingDB Entry DOI: 10.7270/Q24F1SF2
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50068378
PNG
(CHEMBL3402339)
Show SMILES CC(=O)N1N=C(SC11CCSc2ccccc12)c1cc(F)ccc1F |c:4|
Show InChI InChI=1/C18H14F2N2OS2/c1-11(23)22-18(8-9-24-16-5-3-2-4-14(16)18)25-17(21-22)13-10-12(19)6-7-15(13)20/h2-7,10H,8-9H2,1H3
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n/an/an/an/a 3.31E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KSP in human HCT116 cells assessed as phos-histone H3 level by immunofluorescent assay


Bioorg Med Chem 23: 2424-34 (2015)


Article DOI: 10.1016/j.bmc.2015.03.052
BindingDB Entry DOI: 10.7270/Q24F1SF2
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50068380
PNG
(CHEMBL3402338)
Show SMILES CC(=O)N1N=C(SC11CCCOc2ccccc12)c1cc(F)ccc1F |c:4|
Show InChI InChI=1/C19H16F2N2O2S/c1-12(24)23-19(9-4-10-25-17-6-3-2-5-15(17)19)26-18(22-23)14-11-13(20)7-8-16(14)21/h2-3,5-8,11H,4,9-10H2,1H3
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n/an/an/an/a>1.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KSP in human HCT116 cells assessed as phos-histone H3 level by immunofluorescent assay


Bioorg Med Chem 23: 2424-34 (2015)


Article DOI: 10.1016/j.bmc.2015.03.052
BindingDB Entry DOI: 10.7270/Q24F1SF2
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50068381
PNG
(CHEMBL3402337)
Show SMILES CC(=O)N1N=C(SC11CCOc2ccccc12)c1cc(F)ccc1F |c:4|
Show InChI InChI=1/C18H14F2N2O2S/c1-11(23)22-18(8-9-24-16-5-3-2-4-14(16)18)25-17(21-22)13-10-12(19)6-7-15(13)20/h2-7,10H,8-9H2,1H3
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n/an/an/an/a 139n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KSP in human HCT116 cells assessed as phos-histone H3 level by immunofluorescent assay


Bioorg Med Chem 23: 2424-34 (2015)


Article DOI: 10.1016/j.bmc.2015.03.052
BindingDB Entry DOI: 10.7270/Q24F1SF2
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50068382
PNG
(CHEMBL3402336)
Show SMILES CC(=O)N1N=C(SC11COc2ccccc12)c1cc(F)ccc1F |c:4|
Show InChI InChI=1/C17H12F2N2O2S/c1-10(22)21-17(9-23-15-5-3-2-4-13(15)17)24-16(20-21)12-8-11(18)6-7-14(12)19/h2-8H,9H2,1H3
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n/an/an/an/a 246n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KSP in human HCT116 cells assessed as phos-histone H3 level by immunofluorescent assay


Bioorg Med Chem 23: 2424-34 (2015)


Article DOI: 10.1016/j.bmc.2015.03.052
BindingDB Entry DOI: 10.7270/Q24F1SF2
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50068383
PNG
(CHEMBL3402344)
Show SMILES CC(C)C(=O)N1N=C(SC11CCOc2ccccc12)c1cc(F)ccc1F |c:6|
Show InChI InChI=1/C20H18F2N2O2S/c1-12(2)19(25)24-20(9-10-26-17-6-4-3-5-15(17)20)27-18(23-24)14-11-13(21)7-8-16(14)22/h3-8,11-12H,9-10H2,1-2H3
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n/an/an/an/a>500n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KSP in human HCT116 cells assessed as phos-histone H3 level by immunofluorescent assay


Bioorg Med Chem 23: 2424-34 (2015)


Article DOI: 10.1016/j.bmc.2015.03.052
BindingDB Entry DOI: 10.7270/Q24F1SF2
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50068384
PNG
(CHEMBL3402345)
Show SMILES CC(C)(C)C(=O)N1N=C(SC11CCOc2ccccc12)c1cc(F)ccc1F |c:7|
Show InChI InChI=1/C21H20F2N2O2S/c1-20(2,3)19(26)25-21(10-11-27-17-7-5-4-6-15(17)21)28-18(24-25)14-12-13(22)8-9-16(14)23/h4-9,12H,10-11H2,1-3H3
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n/an/an/an/a>1.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KSP in human HCT116 cells assessed as phos-histone H3 level by immunofluorescent assay


Bioorg Med Chem 23: 2424-34 (2015)


Article DOI: 10.1016/j.bmc.2015.03.052
BindingDB Entry DOI: 10.7270/Q24F1SF2
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50068385
PNG
(CHEMBL3402346)
Show SMILES OCC(=O)N1N=C(SC11CCOc2ccccc12)c1cc(F)ccc1F |c:5|
Show InChI InChI=1/C18H14F2N2O3S/c19-11-5-6-14(20)12(9-11)17-21-22(16(24)10-23)18(26-17)7-8-25-15-4-2-1-3-13(15)18/h1-6,9,23H,7-8,10H2
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n/an/an/an/a 615n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KSP in human HCT116 cells assessed as phos-histone H3 level by immunofluorescent assay


Bioorg Med Chem 23: 2424-34 (2015)


Article DOI: 10.1016/j.bmc.2015.03.052
BindingDB Entry DOI: 10.7270/Q24F1SF2
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50068386
PNG
(CHEMBL3402347)
Show SMILES COCC(=O)N1N=C(SC11CCOc2ccccc12)c1cc(F)ccc1F |c:6|
Show InChI InChI=1/C19H16F2N2O3S/c1-25-11-17(24)23-19(8-9-26-16-5-3-2-4-14(16)19)27-18(22-23)13-10-12(20)6-7-15(13)21/h2-7,10H,8-9,11H2,1H3
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n/an/an/an/a 665n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KSP in human HCT116 cells assessed as phos-histone H3 level by immunofluorescent assay


Bioorg Med Chem 23: 2424-34 (2015)


Article DOI: 10.1016/j.bmc.2015.03.052
BindingDB Entry DOI: 10.7270/Q24F1SF2
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50068387
PNG
(CHEMBL3402348)
Show SMILES NCC(=O)N1N=C(SC11CCOc2ccccc12)c1cc(F)ccc1F |c:5|
Show InChI InChI=1/C18H15F2N3O2S/c19-11-5-6-14(20)12(9-11)17-22-23(16(24)10-21)18(26-17)7-8-25-15-4-2-1-3-13(15)18/h1-6,9H,7-8,10,21H2
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n/an/an/an/a>1.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KSP in human HCT116 cells assessed as phos-histone H3 level by immunofluorescent assay


Bioorg Med Chem 23: 2424-34 (2015)


Article DOI: 10.1016/j.bmc.2015.03.052
BindingDB Entry DOI: 10.7270/Q24F1SF2
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50068388
PNG
(CHEMBL3402349)
Show SMILES NCCC(=O)N1N=C(SC11CCOc2ccccc12)c1cc(F)ccc1F |c:6|
Show InChI InChI=1/C19H17F2N3O2S/c20-12-5-6-15(21)13(11-12)18-23-24(17(25)7-9-22)19(27-18)8-10-26-16-4-2-1-3-14(16)19/h1-6,11H,7-10,22H2
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n/an/an/an/a>500n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KSP in human HCT116 cells assessed as phos-histone H3 level by immunofluorescent assay


Bioorg Med Chem 23: 2424-34 (2015)


Article DOI: 10.1016/j.bmc.2015.03.052
BindingDB Entry DOI: 10.7270/Q24F1SF2
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50068389
PNG
(CHEMBL3402350)
Show SMILES NCCCC(=O)N1N=C(SC11CCOc2ccccc12)c1cc(F)ccc1F |c:7|
Show InChI InChI=1/C20H19F2N3O2S/c21-13-7-8-16(22)14(12-13)19-24-25(18(26)6-3-10-23)20(28-19)9-11-27-17-5-2-1-4-15(17)20/h1-2,4-5,7-8,12H,3,6,9-11,23H2
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n/an/an/an/a 338n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KSP in human HCT116 cells assessed as phos-histone H3 level by immunofluorescent assay


Bioorg Med Chem 23: 2424-34 (2015)


Article DOI: 10.1016/j.bmc.2015.03.052
BindingDB Entry DOI: 10.7270/Q24F1SF2
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50068390
PNG
(CHEMBL3402351)
Show SMILES CNCCCC(=O)N1N=C(SC11CCOc2ccccc12)c1cc(F)ccc1F |c:8|
Show InChI InChI=1/C21H21F2N3O2S/c1-24-11-4-7-19(27)26-21(10-12-28-18-6-3-2-5-16(18)21)29-20(25-26)15-13-14(22)8-9-17(15)23/h2-3,5-6,8-9,13,24H,4,7,10-12H2,1H3
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n/an/an/an/a 367n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KSP in human HCT116 cells assessed as phos-histone H3 level by immunofluorescent assay


Bioorg Med Chem 23: 2424-34 (2015)


Article DOI: 10.1016/j.bmc.2015.03.052
BindingDB Entry DOI: 10.7270/Q24F1SF2
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50068391
PNG
(CHEMBL3402352)
Show SMILES CN(C)CCCC(=O)N1N=C(SC11CCOc2ccccc12)c1cc(F)ccc1F |c:9|
Show InChI InChI=1/C22H23F2N3O2S/c1-26(2)12-5-8-20(28)27-22(11-13-29-19-7-4-3-6-17(19)22)30-21(25-27)16-14-15(23)9-10-18(16)24/h3-4,6-7,9-10,14H,5,8,11-13H2,1-2H3
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n/an/an/an/a 263n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KSP in human HCT116 cells assessed as phos-histone H3 level by immunofluorescent assay


Bioorg Med Chem 23: 2424-34 (2015)


Article DOI: 10.1016/j.bmc.2015.03.052
BindingDB Entry DOI: 10.7270/Q24F1SF2
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50068392
PNG
(CHEMBL3403382)
Show SMILES CC(=O)N1N=C(SC11C(CCN)COc2ccccc12)c1cc(F)ccc1F |c:4|
Show InChI InChI=1/C20H19F2N3O2S/c1-12(26)25-20(28-19(24-25)15-10-14(21)6-7-17(15)22)13(8-9-23)11-27-18-5-3-2-4-16(18)20/h2-7,10,13H,8-9,11,23H2,1H3
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n/an/an/an/a 5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KSP in human HCT116 cells assessed as phos-histone H3 level by immunofluorescent assay


Bioorg Med Chem 23: 2424-34 (2015)


Article DOI: 10.1016/j.bmc.2015.03.052
BindingDB Entry DOI: 10.7270/Q24F1SF2
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50068393
PNG
(CHEMBL3403383)
Show SMILES CC(=O)N1N=C(S[C@@]11[C@H](CCN)COc2ccccc12)c1cc(F)ccc1F |r,c:4|
Show InChI InChI=1/C20H19F2N3O2S/c1-12(26)25-20(28-19(24-25)15-10-14(21)6-7-17(15)22)13(8-9-23)11-27-18-5-3-2-4-16(18)20/h2-7,10,13H,8-9,11,23H2,1H3/t13-,20-/s2
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n/an/an/an/a 205n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KSP in human HCT116 cells assessed as phos-histone H3 level by immunofluorescent assay


Bioorg Med Chem 23: 2424-34 (2015)


Article DOI: 10.1016/j.bmc.2015.03.052
BindingDB Entry DOI: 10.7270/Q24F1SF2
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50068394
PNG
(CHEMBL3403384)
Show SMILES CC(=O)N1N=C(S[C@@]11[C@@H](CCN)COc2ccccc12)c1cc(F)ccc1F |r,c:4|
Show InChI InChI=1/C20H19F2N3O2S/c1-12(26)25-20(28-19(24-25)15-10-14(21)6-7-17(15)22)13(8-9-23)11-27-18-5-3-2-4-16(18)20/h2-7,10,13H,8-9,11,23H2,1H3/t13-,20+/s2
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n/an/an/an/a>1.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KSP in human HCT116 cells assessed as phos-histone H3 level by immunofluorescent assay


Bioorg Med Chem 23: 2424-34 (2015)


Article DOI: 10.1016/j.bmc.2015.03.052
BindingDB Entry DOI: 10.7270/Q24F1SF2
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50068395
PNG
(CHEMBL3403385)
Show SMILES CC(=O)N1N=C(S[C@]11[C@H](CCN)COc2ccccc12)c1cc(F)ccc1F |r,c:4|
Show InChI InChI=1/C20H19F2N3O2S/c1-12(26)25-20(28-19(24-25)15-10-14(21)6-7-17(15)22)13(8-9-23)11-27-18-5-3-2-4-16(18)20/h2-7,10,13H,8-9,11,23H2,1H3/t13-,20+/s2
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n/an/an/an/a 2n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KSP in human HCT116 cells assessed as phos-histone H3 level by immunofluorescent assay


Bioorg Med Chem 23: 2424-34 (2015)


Article DOI: 10.1016/j.bmc.2015.03.052
BindingDB Entry DOI: 10.7270/Q24F1SF2
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50068396
PNG
(CHEMBL3403386)
Show SMILES CC(=O)N1N=C(S[C@]11[C@@H](CCN)COc2ccccc12)c1cc(F)ccc1F |r,c:4|
Show InChI InChI=1/C20H19F2N3O2S/c1-12(26)25-20(28-19(24-25)15-10-14(21)6-7-17(15)22)13(8-9-23)11-27-18-5-3-2-4-16(18)20/h2-7,10,13H,8-9,11,23H2,1H3/t13-,20-/s2
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n/an/an/an/a 11n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KSP in human HCT116 cells assessed as phos-histone H3 level by immunofluorescent assay


Bioorg Med Chem 23: 2424-34 (2015)


Article DOI: 10.1016/j.bmc.2015.03.052
BindingDB Entry DOI: 10.7270/Q24F1SF2
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50068397
PNG
(CHEMBL3403387)
Show SMILES CC(=O)N1N=C(S[C@]11[C@H](CCN)COc2ccc(F)cc12)c1cc(F)ccc1F |r,c:4|
Show InChI InChI=1/C20H18F3N3O2S/c1-11(27)26-20(29-19(25-26)15-8-13(21)2-4-17(15)23)12(6-7-24)10-28-18-5-3-14(22)9-16(18)20/h2-5,8-9,12H,6-7,10,24H2,1H3/t12-,20+/s2
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n/an/an/an/a 1n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KSP in human HCT116 cells assessed as phos-histone H3 level by immunofluorescent assay


Bioorg Med Chem 23: 2424-34 (2015)


Article DOI: 10.1016/j.bmc.2015.03.052
BindingDB Entry DOI: 10.7270/Q24F1SF2
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50068398
PNG
(CHEMBL3403388)
Show SMILES CC(=O)N1N=C(S[C@]11[C@H](CCN)COc2ccc(Cl)cc12)c1cc(F)ccc1F |r,c:4|
Show InChI InChI=1/C20H18ClF2N3O2S/c1-11(27)26-20(29-19(25-26)15-9-14(22)3-4-17(15)23)12(6-7-24)10-28-18-5-2-13(21)8-16(18)20/h2-5,8-9,12H,6-7,10,24H2,1H3/t12-,20+/s2
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n/an/an/an/a 17n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KSP in human HCT116 cells assessed as phos-histone H3 level by immunofluorescent assay


Bioorg Med Chem 23: 2424-34 (2015)


Article DOI: 10.1016/j.bmc.2015.03.052
BindingDB Entry DOI: 10.7270/Q24F1SF2
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50068399
PNG
(CHEMBL3403389)
Show SMILES CC(=O)N1N=C(S[C@]11[C@H](CCN)COc2c(F)cccc12)c1cc(F)ccc1F |r,c:4|
Show InChI InChI=1/C20H18F3N3O2S/c1-11(27)26-20(29-19(25-26)14-9-13(21)5-6-16(14)22)12(7-8-24)10-28-18-15(20)3-2-4-17(18)23/h2-6,9,12H,7-8,10,24H2,1H3/t12-,20+/s2
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n/an/an/an/a 5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KSP in human HCT116 cells assessed as phos-histone H3 level by immunofluorescent assay


Bioorg Med Chem 23: 2424-34 (2015)


Article DOI: 10.1016/j.bmc.2015.03.052
BindingDB Entry DOI: 10.7270/Q24F1SF2
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50068400
PNG
(CHEMBL3403390)
Show SMILES CC(=O)N1N=C(S[C@]11[C@H](CCN)COc2c(F)cc(F)cc12)c1cc(F)ccc1F |r,c:4|
Show InChI InChI=1/C20H17F4N3O2S/c1-10(28)27-20(30-19(26-27)14-6-12(21)2-3-16(14)23)11(4-5-25)9-29-18-15(20)7-13(22)8-17(18)24/h2-3,6-8,11H,4-5,9,25H2,1H3/t11-,20+/s2
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n/an/an/an/a 5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KSP in human HCT116 cells assessed as phos-histone H3 level by immunofluorescent assay


Bioorg Med Chem 23: 2424-34 (2015)


Article DOI: 10.1016/j.bmc.2015.03.052
BindingDB Entry DOI: 10.7270/Q24F1SF2
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50068358
PNG
(CHEMBL3402342)
Show SMILES CC(=O)N1N=C(SC11CCN(C(C)=O)c2ccccc12)c1cc(F)ccc1F |c:4|
Show InChI InChI=1/C20H17F2N3O2S/c1-12(26)24-10-9-20(16-5-3-4-6-18(16)24)25(13(2)27)23-19(28-20)15-11-14(21)7-8-17(15)22/h3-8,11H,9-10H2,1-2H3
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n/an/an/an/a>1.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KSP in human HCT116 cells assessed as phos-histone H3 level by immunofluorescent assay


Bioorg Med Chem 23: 2424-34 (2015)


Article DOI: 10.1016/j.bmc.2015.03.052
BindingDB Entry DOI: 10.7270/Q24F1SF2
More data for this
Ligand-Target Pair