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Compile Data Set for Download or QSAR

Found 36 hits with Last Name = 'abualhasan' and Initial = 'mn'   
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)
BDBM50386207
PNG
(CHEMBL2043400)
Show SMILES N[C@@H](CSC(Cc1ccccc1)(c1ccccc1)c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C23H22ClNO2S/c24-20-13-11-19(12-14-20)23(18-9-5-2-6-10-18,28-16-21(25)22(26)27)15-17-7-3-1-4-8-17/h1-14,21H,15-16,25H2,(H,26,27)/t21-,23?/m0/s1
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n/an/a 58.6n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of Eg5 by coupled pyruvate kinase/lactate dehydrogenase assay


Eur J Med Chem 54: 483-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.034
BindingDB Entry DOI: 10.7270/Q24B32C6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein 1


(Homo sapiens)
BDBM50386209
PNG
(CHEMBL2043398)
Show SMILES N[C@@H](CSC(Cc1ccccc1)(c1ccccc1)c1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C23H23NO3S/c24-21(22(26)27)16-28-23(18-10-5-2-6-11-18,15-17-8-3-1-4-9-17)19-12-7-13-20(25)14-19/h1-14,21,25H,15-16,24H2,(H,26,27)/t21-,23?/m0/s1
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n/an/a 67.6n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of Eg5 by coupled pyruvate kinase/lactate dehydrogenase assay


Eur J Med Chem 54: 483-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.034
BindingDB Entry DOI: 10.7270/Q24B32C6
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50386226
PNG
(CHEMBL2043415)
Show SMILES Cc1ccc(cc1)C(Cc1ccccc1)(SC[C@H](N)C(O)=O)c1ccc(C)cc1
Show InChI InChI=1S/C25H27NO2S/c1-18-8-12-21(13-9-18)25(29-17-23(26)24(27)28,16-20-6-4-3-5-7-20)22-14-10-19(2)11-15-22/h3-15,23H,16-17,26H2,1-2H3,(H,27,28)/t23-/m0/s1
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n/an/a 107n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of Eg5 by coupled pyruvate kinase/lactate dehydrogenase assay


Eur J Med Chem 54: 483-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.034
BindingDB Entry DOI: 10.7270/Q24B32C6
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50386210
PNG
(CHEMBL2043397)
Show SMILES N[C@@H](CSC(Cc1ccccc1)(c1ccccc1)c1cccc(Cl)c1)C(O)=O
Show InChI InChI=1S/C23H22ClNO2S/c24-20-13-7-12-19(14-20)23(18-10-5-2-6-11-18,28-16-21(25)22(26)27)15-17-8-3-1-4-9-17/h1-14,21H,15-16,25H2,(H,26,27)/t21-,23?/m0/s1
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n/an/a 129n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of Eg5 by coupled pyruvate kinase/lactate dehydrogenase assay


Eur J Med Chem 54: 483-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.034
BindingDB Entry DOI: 10.7270/Q24B32C6
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50386220
PNG
(CHEMBL2043387)
Show SMILES N[C@@H](CSC(Cc1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C23H23NO2S/c24-21(22(25)26)17-27-23(19-12-6-2-7-13-19,20-14-8-3-9-15-20)16-18-10-4-1-5-11-18/h1-15,21H,16-17,24H2,(H,25,26)/t21-/m0/s1
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n/an/a 138n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of Eg5 by coupled pyruvate kinase/lactate dehydrogenase assay


Eur J Med Chem 54: 483-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.034
BindingDB Entry DOI: 10.7270/Q24B32C6
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50386233
PNG
(CHEMBL2043408)
Show SMILES NCCSC(Cc1ccccc1)(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H22ClNS/c23-21-13-11-20(12-14-21)22(25-16-15-24,19-9-5-2-6-10-19)17-18-7-3-1-4-8-18/h1-14H,15-17,24H2
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n/an/a 141n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of Eg5 by coupled pyruvate kinase/lactate dehydrogenase assay


Eur J Med Chem 54: 483-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.034
BindingDB Entry DOI: 10.7270/Q24B32C6
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50386208
PNG
(CHEMBL2043399)
Show SMILES N[C@@H](CSC(Cc1ccccc1)(c1ccccc1)c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C23H22FNO2S/c24-20-13-11-19(12-14-20)23(18-9-5-2-6-10-18,28-16-21(25)22(26)27)15-17-7-3-1-4-8-17/h1-14,21H,15-16,25H2,(H,26,27)/t21-,23?/m0/s1
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n/an/a 151n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of Eg5 by coupled pyruvate kinase/lactate dehydrogenase assay


Eur J Med Chem 54: 483-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.034
BindingDB Entry DOI: 10.7270/Q24B32C6
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50386205
PNG
(CHEMBL2043402)
Show SMILES N[C@@H](CSC(Cc1ccccc1)(c1ccccc1)c1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C23H23NO3S/c24-21(22(26)27)16-28-23(18-9-5-2-6-10-18,15-17-7-3-1-4-8-17)19-11-13-20(25)14-12-19/h1-14,21,25H,15-16,24H2,(H,26,27)/t21-,23?/m0/s1
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n/an/a 159n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of Eg5 by coupled pyruvate kinase/lactate dehydrogenase assay


Eur J Med Chem 54: 483-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.034
BindingDB Entry DOI: 10.7270/Q24B32C6
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50386206
PNG
(CHEMBL2043401)
Show SMILES Cc1ccc(cc1)C(Cc1ccccc1)(SC[C@H](N)C(O)=O)c1ccccc1
Show InChI InChI=1S/C24H25NO2S/c1-18-12-14-21(15-13-18)24(20-10-6-3-7-11-20,28-17-22(25)23(26)27)16-19-8-4-2-5-9-19/h2-15,22H,16-17,25H2,1H3,(H,26,27)/t22-,24?/m0/s1
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n/an/a 168n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of Eg5 by coupled pyruvate kinase/lactate dehydrogenase assay


Eur J Med Chem 54: 483-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.034
BindingDB Entry DOI: 10.7270/Q24B32C6
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50386232
PNG
(CHEMBL2043409)
Show SMILES Cc1ccc(cc1)C(Cc1ccccc1)(SCCN)c1ccccc1
Show InChI InChI=1S/C23H25NS/c1-19-12-14-22(15-13-19)23(25-17-16-24,21-10-6-3-7-11-21)18-20-8-4-2-5-9-20/h2-15H,16-18,24H2,1H3
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n/an/a 172n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of Eg5 by coupled pyruvate kinase/lactate dehydrogenase assay


Eur J Med Chem 54: 483-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.034
BindingDB Entry DOI: 10.7270/Q24B32C6
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50386228
PNG
(CHEMBL2043413)
Show SMILES N[C@@H](CSC(Cc1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C23H21F2NO2S/c24-19-10-6-17(7-11-19)23(29-15-21(26)22(27)28,14-16-4-2-1-3-5-16)18-8-12-20(25)13-9-18/h1-13,21H,14-15,26H2,(H,27,28)/t21-/m0/s1
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n/an/a 178n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of Eg5 by coupled pyruvate kinase/lactate dehydrogenase assay


Eur J Med Chem 54: 483-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.034
BindingDB Entry DOI: 10.7270/Q24B32C6
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM23772
PNG
((2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoi...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H21NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,25)/t20-/m0/s1
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n/an/a 186n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of Eg5 by coupled pyruvate kinase/lactate dehydrogenase assay


Eur J Med Chem 54: 483-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.034
BindingDB Entry DOI: 10.7270/Q24B32C6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein 1


(Homo sapiens)
BDBM50386204
PNG
(CHEMBL2043403)
Show SMILES N[C@@H](CSC(Cc1ccccc1)(c1ccccc1)c1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C23H21Cl2NO2S/c24-19-12-11-18(13-20(19)25)23(17-9-5-2-6-10-17,29-15-21(26)22(27)28)14-16-7-3-1-4-8-16/h1-13,21H,14-15,26H2,(H,27,28)/t21-,23?/m0/s1
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n/an/a 191n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of Eg5 by coupled pyruvate kinase/lactate dehydrogenase assay


Eur J Med Chem 54: 483-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.034
BindingDB Entry DOI: 10.7270/Q24B32C6
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50386211
PNG
(CHEMBL2043396)
Show SMILES N[C@@H](CSC(Cc1ccccc1)(c1ccccc1)c1ccccc1F)C(O)=O
Show InChI InChI=1S/C23H22FNO2S/c24-20-14-8-7-13-19(20)23(18-11-5-2-6-12-18,28-16-21(25)22(26)27)15-17-9-3-1-4-10-17/h1-14,21H,15-16,25H2,(H,26,27)/t21-,23?/m0/s1
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n/an/a 217n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of Eg5 by coupled pyruvate kinase/lactate dehydrogenase assay


Eur J Med Chem 54: 483-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.034
BindingDB Entry DOI: 10.7270/Q24B32C6
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50386230
PNG
(CHEMBL2043411)
Show SMILES NCCSC(Cc1ccccc1)(c1ccccc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H21Cl2NS/c23-20-12-11-19(15-21(20)24)22(26-14-13-25,18-9-5-2-6-10-18)16-17-7-3-1-4-8-17/h1-12,15H,13-14,16,25H2
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n/an/a 229n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of Eg5 by coupled pyruvate kinase/lactate dehydrogenase assay


Eur J Med Chem 54: 483-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.034
BindingDB Entry DOI: 10.7270/Q24B32C6
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50386216
PNG
(CHEMBL2043391)
Show SMILES N[C@@H](CSC(Cc1cccc(Cl)c1)(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C23H22ClNO2S/c24-20-13-7-8-17(14-20)15-23(18-9-3-1-4-10-18,19-11-5-2-6-12-19)28-16-21(25)22(26)27/h1-14,21H,15-16,25H2,(H,26,27)/t21-/m0/s1
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n/an/a 238n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of Eg5 by coupled pyruvate kinase/lactate dehydrogenase assay


Eur J Med Chem 54: 483-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.034
BindingDB Entry DOI: 10.7270/Q24B32C6
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM23802
PNG
(2-[(triphenylmethyl)sulfanyl]ethan-1-amine | Triph...)
Show SMILES NCCSC(c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H21NS/c22-16-17-23-21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17,22H2
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n/an/a 241n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of Eg5 by coupled pyruvate kinase/lactate dehydrogenase assay


Eur J Med Chem 54: 483-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.034
BindingDB Entry DOI: 10.7270/Q24B32C6
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50386227
PNG
(CHEMBL2043414)
Show SMILES N[C@@H](CSC(Cc1ccccc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C23H21Cl2NO2S/c24-19-10-6-17(7-11-19)23(29-15-21(26)22(27)28,14-16-4-2-1-3-5-16)18-8-12-20(25)13-9-18/h1-13,21H,14-15,26H2,(H,27,28)/t21-/m0/s1
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n/an/a 252n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of Eg5 by coupled pyruvate kinase/lactate dehydrogenase assay


Eur J Med Chem 54: 483-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.034
BindingDB Entry DOI: 10.7270/Q24B32C6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein 1


(Homo sapiens)
BDBM50386201
PNG
(CHEMBL2043406)
Show SMILES NCCSC(Cc1ccccc1)(c1ccccc1)c1cccc(O)c1
Show InChI InChI=1S/C22H23NOS/c23-14-15-25-22(19-10-5-2-6-11-19,17-18-8-3-1-4-9-18)20-12-7-13-21(24)16-20/h1-13,16,24H,14-15,17,23H2
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n/an/a 256n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of Eg5 by coupled pyruvate kinase/lactate dehydrogenase assay


Eur J Med Chem 54: 483-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.034
BindingDB Entry DOI: 10.7270/Q24B32C6
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50386222
PNG
(CHEMBL2043419)
Show SMILES Cc1ccc(cc1)C(Cc1ccccc1)(SCCN)c1ccc(C)cc1
Show InChI InChI=1S/C24H27NS/c1-19-8-12-22(13-9-19)24(26-17-16-25,18-21-6-4-3-5-7-21)23-14-10-20(2)11-15-23/h3-15H,16-18,25H2,1-2H3
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n/an/a 261n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of Eg5 by coupled pyruvate kinase/lactate dehydrogenase assay


Eur J Med Chem 54: 483-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.034
BindingDB Entry DOI: 10.7270/Q24B32C6
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50386223
PNG
(CHEMBL2043418)
Show SMILES NCCSC(Cc1ccccc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H21Cl2NS/c23-20-10-6-18(7-11-20)22(26-15-14-25,16-17-4-2-1-3-5-17)19-8-12-21(24)13-9-19/h1-13H,14-16,25H2
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n/an/a 404n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of Eg5 by coupled pyruvate kinase/lactate dehydrogenase assay


Eur J Med Chem 54: 483-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.034
BindingDB Entry DOI: 10.7270/Q24B32C6
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50386225
PNG
(CHEMBL2043416)
Show SMILES NCCSC(Cc1ccccc1)(c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H21Cl2NS/c23-20-11-9-18(10-12-20)22(26-14-13-25,16-17-5-2-1-3-6-17)19-7-4-8-21(24)15-19/h1-12,15H,13-14,16,25H2
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n/an/a 437n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of Eg5 by coupled pyruvate kinase/lactate dehydrogenase assay


Eur J Med Chem 54: 483-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.034
BindingDB Entry DOI: 10.7270/Q24B32C6
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50386215
PNG
(CHEMBL2043392)
Show SMILES N[C@@H](CSC(Cc1ccc(Cl)cc1)(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C23H22ClNO2S/c24-20-13-11-17(12-14-20)15-23(18-7-3-1-4-8-18,19-9-5-2-6-10-19)28-16-21(25)22(26)27/h1-14,21H,15-16,25H2,(H,26,27)/t21-/m0/s1
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n/an/a 456n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of Eg5 by coupled pyruvate kinase/lactate dehydrogenase assay


Eur J Med Chem 54: 483-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.034
BindingDB Entry DOI: 10.7270/Q24B32C6
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50386221
PNG
(CHEMBL2043420)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccncc1)C(O)=O
Show InChI InChI=1S/C21H20N2O2S/c22-19(20(24)25)15-26-21(16-7-3-1-4-8-16,17-9-5-2-6-10-17)18-11-13-23-14-12-18/h1-14,19H,15,22H2,(H,24,25)/t19-/m0/s1
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n/an/a 514n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of Eg5 by coupled pyruvate kinase/lactate dehydrogenase assay


Eur J Med Chem 54: 483-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.034
BindingDB Entry DOI: 10.7270/Q24B32C6
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50386202
PNG
(CHEMBL2043405)
Show SMILES NCCSC(Cc1ccccc1)(c1ccccc1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H22ClNS/c23-21-13-7-12-20(16-21)22(25-15-14-24,19-10-5-2-6-11-19)17-18-8-3-1-4-9-18/h1-13,16H,14-15,17,24H2
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n/an/a 519n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of Eg5 by coupled pyruvate kinase/lactate dehydrogenase assay


Eur J Med Chem 54: 483-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.034
BindingDB Entry DOI: 10.7270/Q24B32C6
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50386229
PNG
(CHEMBL2043412)
Show SMILES N[C@@H](CSC(Cc1ccccc1)(c1ccc(Cl)cc1)c1cccc(Cl)c1)C(O)=O
Show InChI InChI=1S/C23H21Cl2NO2S/c24-19-11-9-17(10-12-19)23(29-15-21(26)22(27)28,14-16-5-2-1-3-6-16)18-7-4-8-20(25)13-18/h1-13,21H,14-15,26H2,(H,27,28)/t21-,23?/m0/s1
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n/an/a 568n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of Eg5 by coupled pyruvate kinase/lactate dehydrogenase assay


Eur J Med Chem 54: 483-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.034
BindingDB Entry DOI: 10.7270/Q24B32C6
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50386234
PNG
(CHEMBL2043407)
Show SMILES NCCSC(Cc1ccccc1)(c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C22H22FNS/c23-21-13-11-20(12-14-21)22(25-16-15-24,19-9-5-2-6-10-19)17-18-7-3-1-4-8-18/h1-14H,15-17,24H2
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n/an/a 578n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of Eg5 by coupled pyruvate kinase/lactate dehydrogenase assay


Eur J Med Chem 54: 483-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.034
BindingDB Entry DOI: 10.7270/Q24B32C6
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50386224
PNG
(CHEMBL2043417)
Show SMILES NCCSC(Cc1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C22H21F2NS/c23-20-10-6-18(7-11-20)22(26-15-14-25,16-17-4-2-1-3-5-17)19-8-12-21(24)13-9-19/h1-13H,14-16,25H2
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n/an/a 588n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of Eg5 by coupled pyruvate kinase/lactate dehydrogenase assay


Eur J Med Chem 54: 483-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.034
BindingDB Entry DOI: 10.7270/Q24B32C6
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50386231
PNG
(CHEMBL2043410)
Show SMILES NCCSC(Cc1ccccc1)(c1ccccc1)c1ccc(O)cc1
Show InChI InChI=1S/C22H23NOS/c23-15-16-25-22(19-9-5-2-6-10-19,17-18-7-3-1-4-8-18)20-11-13-21(24)14-12-20/h1-14,24H,15-17,23H2
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n/an/a 666n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of Eg5 by coupled pyruvate kinase/lactate dehydrogenase assay


Eur J Med Chem 54: 483-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.034
BindingDB Entry DOI: 10.7270/Q24B32C6
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50386219
PNG
(CHEMBL2043388)
Show SMILES NCCSC(Cc1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H23NS/c23-16-17-24-22(20-12-6-2-7-13-20,21-14-8-3-9-15-21)18-19-10-4-1-5-11-19/h1-15H,16-18,23H2
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n/an/a 685n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of Eg5 by coupled pyruvate kinase/lactate dehydrogenase assay


Eur J Med Chem 54: 483-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.034
BindingDB Entry DOI: 10.7270/Q24B32C6
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50386203
PNG
(CHEMBL2043404)
Show SMILES NCCSC(Cc1ccccc1)(c1ccccc1)c1ccccc1F
Show InChI InChI=1S/C22H22FNS/c23-21-14-8-7-13-20(21)22(25-16-15-24,19-11-5-2-6-12-19)17-18-9-3-1-4-10-18/h1-14H,15-17,24H2
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n/an/a 790n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of Eg5 by coupled pyruvate kinase/lactate dehydrogenase assay


Eur J Med Chem 54: 483-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.034
BindingDB Entry DOI: 10.7270/Q24B32C6
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50386213
PNG
(CHEMBL2043394)
Show SMILES NCCSC(c1ccccc1)(c1ccccc1)c1ccncc1
Show InChI InChI=1S/C20H20N2S/c21-13-16-23-20(17-7-3-1-4-8-17,18-9-5-2-6-10-18)19-11-14-22-15-12-19/h1-12,14-15H,13,16,21H2
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n/an/a 942n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of Eg5 by coupled pyruvate kinase/lactate dehydrogenase assay


Eur J Med Chem 54: 483-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.034
BindingDB Entry DOI: 10.7270/Q24B32C6
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50386214
PNG
(CHEMBL2043393)
Show SMILES N[C@@H](CSC(Cc1ccc(Cl)c(Cl)c1)(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C23H21Cl2NO2S/c24-19-12-11-16(13-20(19)25)14-23(17-7-3-1-4-8-17,18-9-5-2-6-10-18)29-15-21(26)22(27)28/h1-13,21H,14-15,26H2,(H,27,28)/t21-/m0/s1
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n/an/a 5.28E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of Eg5 by coupled pyruvate kinase/lactate dehydrogenase assay


Eur J Med Chem 54: 483-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.034
BindingDB Entry DOI: 10.7270/Q24B32C6
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50386218
PNG
(CHEMBL2043389)
Show SMILES N[C@@H](CSC(CCc1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C24H25NO2S/c25-22(23(26)27)18-28-24(20-12-6-2-7-13-20,21-14-8-3-9-15-21)17-16-19-10-4-1-5-11-19/h1-15,22H,16-18,25H2,(H,26,27)/t22-/m0/s1
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n/an/a 1.58E+4n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of Eg5 by coupled pyruvate kinase/lactate dehydrogenase assay


Eur J Med Chem 54: 483-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.034
BindingDB Entry DOI: 10.7270/Q24B32C6
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50386212
PNG
(CHEMBL2043395)
Show SMILES NCCSC(C(=O)c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H21NOS/c23-16-17-25-22(19-12-6-2-7-13-19,20-14-8-3-9-15-20)21(24)18-10-4-1-5-11-18/h1-15H,16-17,23H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of Eg5 by coupled pyruvate kinase/lactate dehydrogenase assay


Eur J Med Chem 54: 483-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.034
BindingDB Entry DOI: 10.7270/Q24B32C6
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50386217
PNG
(CHEMBL2043390)
Show SMILES N[C@@H](CSC(C(=O)c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C23H21NO3S/c24-20(22(26)27)16-28-23(18-12-6-2-7-13-18,19-14-8-3-9-15-19)21(25)17-10-4-1-5-11-17/h1-15,20H,16,24H2,(H,26,27)/t20-/m0/s1
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n/an/a>1.50E+5n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of Eg5 by coupled pyruvate kinase/lactate dehydrogenase assay


Eur J Med Chem 54: 483-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.034
BindingDB Entry DOI: 10.7270/Q24B32C6
More data for this
Ligand-Target Pair