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PubMed code 25001485

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)
BDBM50054109
PNG
(CHEMBL3319301)
Show SMILES CC(C)(C)C(=O)NC1=NN(C(=O)C(C)(C)C)C(CNS(C)(=O)=O)(S1)c1ccccc1
Show InChI InChI=1S/C20H30N4O4S2/c1-18(2,3)15(25)22-17-23-24(16(26)19(4,5)6)20(29-17,13-21-30(7,27)28)14-11-9-8-10-12-14/h8-12,21H,13H2,1-7H3,(H,22,23,25)
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PubMed
n/an/a 44n/an/an/an/an/an/a



Kyowa Hakko Kirin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Eg5 (unknown origin)


Bioorg Med Chem Lett 24: 3961-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.034
BindingDB Entry DOI: 10.7270/Q2DF6SVT
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50054192
PNG
(CHEMBL3319304)
Show SMILES CC(C)C(=O)N1N=C(NC(=O)C(C)(C)C)SC1(CCNS(C)(=O)=O)c1ccccc1
Show InChI InChI=1S/C20H30N4O4S2/c1-14(2)16(25)24-20(12-13-21-30(6,27)28,15-10-8-7-9-11-15)29-18(23-24)22-17(26)19(3,4)5/h7-11,14,21H,12-13H2,1-6H3,(H,22,23,26)
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n/an/a 48n/an/an/an/an/an/a



Kyowa Hakko Kirin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Eg5 (unknown origin)


Bioorg Med Chem Lett 24: 3961-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.034
BindingDB Entry DOI: 10.7270/Q2DF6SVT
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50054187
PNG
(CHEMBL3319303)
Show SMILES CCC(=O)N1N=C(NC(=O)C(C)(C)C)SC1(CCNS(C)(=O)=O)c1ccccc1
Show InChI InChI=1S/C19H28N4O4S2/c1-6-15(24)23-19(12-13-20-29(5,26)27,14-10-8-7-9-11-14)28-17(22-23)21-16(25)18(2,3)4/h7-11,20H,6,12-13H2,1-5H3,(H,21,22,25)
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PubMed
n/an/a 64n/an/an/an/an/an/a



Kyowa Hakko Kirin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Eg5 (unknown origin)


Bioorg Med Chem Lett 24: 3961-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.034
BindingDB Entry DOI: 10.7270/Q2DF6SVT
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50054192
PNG
(CHEMBL3319304)
Show SMILES CC(C)C(=O)N1N=C(NC(=O)C(C)(C)C)SC1(CCNS(C)(=O)=O)c1ccccc1
Show InChI InChI=1S/C20H30N4O4S2/c1-14(2)16(25)24-20(12-13-21-30(6,27)28,15-10-8-7-9-11-15)29-18(23-24)22-17(26)19(3,4)5/h7-11,14,21H,12-13H2,1-6H3,(H,22,23,26)
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PubMed
n/an/a 110n/an/an/an/an/an/a



Kyowa Hakko Kirin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Eg5 (unknown origin)


Bioorg Med Chem Lett 24: 3961-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.034
BindingDB Entry DOI: 10.7270/Q2DF6SVT
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50054187
PNG
(CHEMBL3319303)
Show SMILES CCC(=O)N1N=C(NC(=O)C(C)(C)C)SC1(CCNS(C)(=O)=O)c1ccccc1
Show InChI InChI=1S/C19H28N4O4S2/c1-6-15(24)23-19(12-13-20-29(5,26)27,14-10-8-7-9-11-14)28-17(22-23)21-16(25)18(2,3)4/h7-11,20H,6,12-13H2,1-5H3,(H,21,22,25)
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PubMed
n/an/a 111n/an/an/an/an/an/a



Kyowa Hakko Kirin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Eg5 (unknown origin)


Bioorg Med Chem Lett 24: 3961-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.034
BindingDB Entry DOI: 10.7270/Q2DF6SVT
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50054136
PNG
(CHEMBL3319302)
Show SMILES CC(C)(C)C(=O)NC1=NN(C(=O)C(C)(C)C)C(CCNS(C)(=O)=O)(S1)c1ccccc1
Show InChI InChI=1S/C21H32N4O4S2/c1-19(2,3)16(26)23-18-24-25(17(27)20(4,5)6)21(30-18,13-14-22-31(7,28)29)15-11-9-8-10-12-15/h8-12,22H,13-14H2,1-7H3,(H,23,24,26)
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Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Kyowa Hakko Kirin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Eg5 (unknown origin)


Bioorg Med Chem Lett 24: 3961-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.034
BindingDB Entry DOI: 10.7270/Q2DF6SVT
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50054108
PNG
(CHEMBL3356912)
Show SMILES CC(C)CC(=O)NC1=NN(C(=O)CC(C)C)C(C)(S1)c1ccccc1
Show InChI InChI=1S/C19H27N3O2S/c1-13(2)11-16(23)20-18-21-22(17(24)12-14(3)4)19(5,25-18)15-9-7-6-8-10-15/h6-10,13-14H,11-12H2,1-5H3,(H,20,21,23)
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PubMed
n/an/a 520n/an/an/an/an/an/a



Kyowa Hakko Kirin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Eg5 (unknown origin)


Bioorg Med Chem Lett 24: 3961-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.034
BindingDB Entry DOI: 10.7270/Q2DF6SVT
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens)
BDBM50431886
PNG
(CHEMBL1413473)
Show SMILES CC(=O)NC1=NN(C(C)=O)C(C)(S1)c1ccccc1
Show InChI InChI=1S/C13H15N3O2S/c1-9(17)14-12-15-16(10(2)18)13(3,19-12)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,15,17)
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PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Kyowa Hakko Kirin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Eg5 (unknown origin)


Bioorg Med Chem Lett 24: 3961-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.034
BindingDB Entry DOI: 10.7270/Q2DF6SVT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%