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PubMed code 22309208

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
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))
BDBM50383085
PNG
(CHEMBL2031570)
Show SMILES Cc1ccsc1CCn1c(CC(=O)Nc2ccc(F)cc2)c(O)n(-c2ccc(F)cc2)c1=S
Show InChI InChI=1S/C24H21F2N3O2S2/c1-15-11-13-33-21(15)10-12-28-20(14-22(30)27-18-6-2-16(25)3-7-18)23(31)29(24(28)32)19-8-4-17(26)5-9-19/h2-9,11,13,31H,10,12,14H2,1H3,(H,27,30)
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n/an/a 600n/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-like protein 1


(Homo sapiens (Human))
BDBM50383082
PNG
(CHEMBL2031569)
Show SMILES COc1ccc(cc1)-n1c(O)c(CC(=O)Nc2ccccc2)n(CCc2cccs2)c1=S
Show InChI InChI=1S/C24H23N3O3S2/c1-30-19-11-9-18(10-12-19)27-23(29)21(16-22(28)25-17-6-3-2-4-7-17)26(24(27)31)14-13-20-8-5-15-32-20/h2-12,15,29H,13-14,16H2,1H3,(H,25,28)
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n/an/a 1.00E+3n/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-like protein 1


(Homo sapiens (Human))
BDBM50383086
PNG
(CHEMBL2031571)
Show SMILES COc1ccc(NC(=O)Cc2c(O)n(-c3ccccc3)c(=S)n2CCc2sccc2C)cc1
Show InChI InChI=1S/C25H25N3O3S2/c1-17-13-15-33-22(17)12-14-27-21(16-23(29)26-18-8-10-20(31-2)11-9-18)24(30)28(25(27)32)19-6-4-3-5-7-19/h3-11,13,15,30H,12,14,16H2,1-2H3,(H,26,29)
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n/an/a 2.40E+3n/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-like protein 1


(Homo sapiens (Human))
BDBM50383084
PNG
(CHEMBL2031568)
Show SMILES Cc1cc2-c3cc(C)ccc3NC(c3ccccc3F)n2n1
Show InChI InChI=1S/C18H16FN3/c1-11-7-8-16-14(9-11)17-10-12(2)21-22(17)18(20-16)13-5-3-4-6-15(13)19/h3-10,18,20H,1-2H3
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n/an/a 6.30E+3n/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-like protein 1


(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 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 5C


(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 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 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-like protein 1


(Homo sapiens (Human))
BDBM50383083
PNG
(CHEMBL1551717)
Show SMILES COC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(cc1)C(O)=O)c1ccccc21
Show InChI InChI=1S/C22H17NO7S/c1-12-19(22(26)29-2)17-11-18(15-5-3-4-6-16(15)20(17)30-12)23-31(27,28)14-9-7-13(8-10-14)21(24)25/h3-11,23H,1-2H3,(H,24,25)
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n/an/a 7.91E+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
* indicates data uncertainty>20%