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Compile Data Set for Download or QSAR

Found 34 hits Enz. Inhib. hit(s) with all data for entry = 50033789   
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 KIF11


(Homo sapiens (Human))
BDBM50351284
PNG
(CHEMBL1818768)
Show SMILES Oc1ccc(cc1)N1C(Cc2ccccc2)Nc2ccc(cc2C1=O)N1CCCCC1
Show InChI InChI=1S/C26H27N3O2/c30-22-12-9-20(10-13-22)29-25(17-19-7-3-1-4-8-19)27-24-14-11-21(18-23(24)26(29)31)28-15-5-2-6-16-28/h1,3-4,7-14,18,25,27,30H,2,5-6,15-17H2
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n/an/a 11n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity KSP expressed in Escherichia coli after 30 mins by spectrophotometric analysis


Bioorg Med Chem 19: 5612-27 (2011)


Article DOI: 10.1016/j.bmc.2011.07.029
BindingDB Entry DOI: 10.7270/Q2B858HD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50351271
PNG
(CHEMBL1818755)
Show SMILES Oc1cccc(c1)-c1nc2ccc(cc2c(O)c1Cc1ccccc1)N1CCCCC1
Show InChI InChI=1S/C27H26N2O2/c30-22-11-7-10-20(17-22)26-24(16-19-8-3-1-4-9-19)27(31)23-18-21(12-13-25(23)28-26)29-14-5-2-6-15-29/h1,3-4,7-13,17-18,30H,2,5-6,14-16H2,(H,28,31)
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n/an/a 20n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity KSP expressed in Escherichia coli after 30 mins by spectrophotometric analysis


Bioorg Med Chem 19: 5612-27 (2011)


Article DOI: 10.1016/j.bmc.2011.07.029
BindingDB Entry DOI: 10.7270/Q2B858HD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50351274
PNG
(CHEMBL1818758)
Show SMILES Oc1cccc(c1)-c1nc2ccc(cc2c(O)c1Cc1ccccc1)N1CCOCC1
Show InChI InChI=1S/C26H24N2O3/c29-21-8-4-7-19(16-21)25-23(15-18-5-2-1-3-6-18)26(30)22-17-20(9-10-24(22)27-25)28-11-13-31-14-12-28/h1-10,16-17,29H,11-15H2,(H,27,30)
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n/an/a 23n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity KSP expressed in Escherichia coli after 30 mins by spectrophotometric analysis


Bioorg Med Chem 19: 5612-27 (2011)


Article DOI: 10.1016/j.bmc.2011.07.029
BindingDB Entry DOI: 10.7270/Q2B858HD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50351290
PNG
(CHEMBL1818774)
Show SMILES Oc1ccc(cc1)N1C(Cc2ccccc2)Nc2ccc(cc2C1=O)N1CCCC1
Show InChI InChI=1S/C25H25N3O2/c29-21-11-8-19(9-12-21)28-24(16-18-6-2-1-3-7-18)26-23-13-10-20(17-22(23)25(28)30)27-14-4-5-15-27/h1-3,6-13,17,24,26,29H,4-5,14-16H2
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n/an/a 25n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity KSP expressed in Escherichia coli after 30 mins by spectrophotometric analysis


Bioorg Med Chem 19: 5612-27 (2011)


Article DOI: 10.1016/j.bmc.2011.07.029
BindingDB Entry DOI: 10.7270/Q2B858HD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50351283
PNG
(CHEMBL1818767)
Show SMILES Oc1cccc(c1)N1C(Cc2ccccc2)Nc2ccc(cc2C1=O)N1CCCCC1
Show InChI InChI=1S/C26H27N3O2/c30-22-11-7-10-21(17-22)29-25(16-19-8-3-1-4-9-19)27-24-13-12-20(18-23(24)26(29)31)28-14-5-2-6-15-28/h1,3-4,7-13,17-18,25,27,30H,2,5-6,14-16H2
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n/an/a 33n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity KSP expressed in Escherichia coli after 30 mins by spectrophotometric analysis


Bioorg Med Chem 19: 5612-27 (2011)


Article DOI: 10.1016/j.bmc.2011.07.029
BindingDB Entry DOI: 10.7270/Q2B858HD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50351272
PNG
(CHEMBL1818756)
Show SMILES Oc1ccc(cc1)-c1nc2ccc(cc2c(O)c1Cc1ccccc1)N1CCCCC1
Show InChI InChI=1S/C27H26N2O2/c30-22-12-9-20(10-13-22)26-24(17-19-7-3-1-4-8-19)27(31)23-18-21(11-14-25(23)28-26)29-15-5-2-6-16-29/h1,3-4,7-14,18,30H,2,5-6,15-17H2,(H,28,31)
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n/an/a 42n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity KSP expressed in Escherichia coli after 30 mins by spectrophotometric analysis


Bioorg Med Chem 19: 5612-27 (2011)


Article DOI: 10.1016/j.bmc.2011.07.029
BindingDB Entry DOI: 10.7270/Q2B858HD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50351289
PNG
(CHEMBL1818773)
Show SMILES Oc1cccc(c1)N1C(Cc2ccccc2)Nc2ccc(cc2C1=O)N1CCCC1
Show InChI InChI=1S/C25H25N3O2/c29-21-10-6-9-20(16-21)28-24(15-18-7-2-1-3-8-18)26-23-12-11-19(17-22(23)25(28)30)27-13-4-5-14-27/h1-3,6-12,16-17,24,26,29H,4-5,13-15H2
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n/an/a 49n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity KSP expressed in Escherichia coli after 30 mins by spectrophotometric analysis


Bioorg Med Chem 19: 5612-27 (2011)


Article DOI: 10.1016/j.bmc.2011.07.029
BindingDB Entry DOI: 10.7270/Q2B858HD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50351259
PNG
(CHEMBL1818674)
Show SMILES CN1CCN(CC1)c1ccc2nc(c(C)c(O)c2c1)-c1ccccc1
Show InChI InChI=1S/C21H23N3O/c1-15-20(16-6-4-3-5-7-16)22-19-9-8-17(14-18(19)21(15)25)24-12-10-23(2)11-13-24/h3-9,14H,10-13H2,1-2H3,(H,22,25)
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n/an/a 51n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity KSP expressed in Escherichia coli after 30 mins by spectrophotometric analysis


Bioorg Med Chem 19: 5612-27 (2011)


Article DOI: 10.1016/j.bmc.2011.07.029
BindingDB Entry DOI: 10.7270/Q2B858HD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50198311
PNG
((R)-N-(1-(3-benzyl-7-chloro-4-oxo-3,4-dihydroquina...)
Show SMILES CC[C@@H](N(CCCN(C)C)C(=O)c1ccc(Br)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C30H32BrClN4O2/c1-4-27(35(18-8-17-34(2)3)29(37)22-11-13-23(31)14-12-22)28-33-26-19-24(32)15-16-25(26)30(38)36(28)20-21-9-6-5-7-10-21/h5-7,9-16,19,27H,4,8,17-18,20H2,1-3H3/t27-/m1/s1
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n/an/a 53n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity KSP expressed in Escherichia coli after 30 mins by spectrophotometric analysis


Bioorg Med Chem 19: 5612-27 (2011)


Article DOI: 10.1016/j.bmc.2011.07.029
BindingDB Entry DOI: 10.7270/Q2B858HD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50351288
PNG
(CHEMBL1818772)
Show SMILES O=C1N(C(Cc2ccccc2)Nc2ccc(cc12)N1CCCC1)c1ccccc1
Show InChI InChI=1S/C25H25N3O/c29-25-22-18-21(27-15-7-8-16-27)13-14-23(22)26-24(17-19-9-3-1-4-10-19)28(25)20-11-5-2-6-12-20/h1-6,9-14,18,24,26H,7-8,15-17H2
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n/an/a 73n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity KSP expressed in Escherichia coli after 30 mins by spectrophotometric analysis


Bioorg Med Chem 19: 5612-27 (2011)


Article DOI: 10.1016/j.bmc.2011.07.029
BindingDB Entry DOI: 10.7270/Q2B858HD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50351282
PNG
(CHEMBL1818766)
Show SMILES O=C1N(C(Cc2ccccc2)Nc2ccc(cc12)N1CCCCC1)c1ccccc1
Show InChI InChI=1S/C26H27N3O/c30-26-23-19-22(28-16-8-3-9-17-28)14-15-24(23)27-25(18-20-10-4-1-5-11-20)29(26)21-12-6-2-7-13-21/h1-2,4-7,10-15,19,25,27H,3,8-9,16-18H2
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n/an/a 92n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity KSP expressed in Escherichia coli after 30 mins by spectrophotometric analysis


Bioorg Med Chem 19: 5612-27 (2011)


Article DOI: 10.1016/j.bmc.2011.07.029
BindingDB Entry DOI: 10.7270/Q2B858HD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50351270
PNG
(CHEMBL1818754)
Show SMILES Oc1c(Cc2ccccc2)c(nc2ccc(cc12)N1CCCCC1)-c1ccccc1
Show InChI InChI=1S/C27H26N2O/c30-27-23-19-22(29-16-8-3-9-17-29)14-15-25(23)28-26(21-12-6-2-7-13-21)24(27)18-20-10-4-1-5-11-20/h1-2,4-7,10-15,19H,3,8-9,16-18H2,(H,28,30)
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n/an/a 146n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity KSP expressed in Escherichia coli after 30 mins by spectrophotometric analysis


Bioorg Med Chem 19: 5612-27 (2011)


Article DOI: 10.1016/j.bmc.2011.07.029
BindingDB Entry DOI: 10.7270/Q2B858HD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50351281
PNG
(CHEMBL1818765)
Show SMILES CC1Nc2ccc(cc2C(=O)N1c1ccc(O)cc1)N1CCCC1
Show InChI InChI=1S/C19H21N3O2/c1-13-20-18-9-6-15(21-10-2-3-11-21)12-17(18)19(24)22(13)14-4-7-16(23)8-5-14/h4-9,12-13,20,23H,2-3,10-11H2,1H3
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n/an/a 149n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity KSP expressed in Escherichia coli after 30 mins by spectrophotometric analysis


Bioorg Med Chem 19: 5612-27 (2011)


Article DOI: 10.1016/j.bmc.2011.07.029
BindingDB Entry DOI: 10.7270/Q2B858HD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50351277
PNG
(CHEMBL1818761)
Show SMILES CC1Nc2ccc(cc2C(=O)N1c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C19H21N3O2/c1-14-20-18-8-7-16(21-9-11-24-12-10-21)13-17(18)19(23)22(14)15-5-3-2-4-6-15/h2-8,13-14,20H,9-12H2,1H3
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n/an/a 162n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity KSP expressed in Escherichia coli after 30 mins by spectrophotometric analysis


Bioorg Med Chem 19: 5612-27 (2011)


Article DOI: 10.1016/j.bmc.2011.07.029
BindingDB Entry DOI: 10.7270/Q2B858HD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50351279
PNG
(CHEMBL1818763)
Show SMILES CC1Nc2ccc(cc2C(=O)N1c1ccccc1)N1CCCC1
Show InChI InChI=1S/C19H21N3O/c1-14-20-18-10-9-16(21-11-5-6-12-21)13-17(18)19(23)22(14)15-7-3-2-4-8-15/h2-4,7-10,13-14,20H,5-6,11-12H2,1H3
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n/an/a 169n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity KSP expressed in Escherichia coli after 30 mins by spectrophotometric analysis


Bioorg Med Chem 19: 5612-27 (2011)


Article DOI: 10.1016/j.bmc.2011.07.029
BindingDB Entry DOI: 10.7270/Q2B858HD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50351280
PNG
(CHEMBL1818764)
Show SMILES CC1Nc2ccc(cc2C(=O)N1c1cccc(O)c1)N1CCCC1
Show InChI InChI=1S/C19H21N3O2/c1-13-20-18-8-7-14(21-9-2-3-10-21)12-17(18)19(24)22(13)15-5-4-6-16(23)11-15/h4-8,11-13,20,23H,2-3,9-10H2,1H3
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n/an/a 170n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity KSP expressed in Escherichia coli after 30 mins by spectrophotometric analysis


Bioorg Med Chem 19: 5612-27 (2011)


Article DOI: 10.1016/j.bmc.2011.07.029
BindingDB Entry DOI: 10.7270/Q2B858HD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50351263
PNG
(CHEMBL1818747)
Show SMILES Cc1c(O)c2cc(ccc2nc1-c1cccc(O)c1)N1CCCCC1
Show InChI InChI=1S/C21H22N2O2/c1-14-20(15-6-5-7-17(24)12-15)22-19-9-8-16(13-18(19)21(14)25)23-10-3-2-4-11-23/h5-9,12-13,24H,2-4,10-11H2,1H3,(H,22,25)
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n/an/a 232n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity KSP expressed in Escherichia coli after 30 mins by spectrophotometric analysis


Bioorg Med Chem 19: 5612-27 (2011)


Article DOI: 10.1016/j.bmc.2011.07.029
BindingDB Entry DOI: 10.7270/Q2B858HD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50351260
PNG
(CHEMBL1818675)
Show SMILES CN1CCN(CC1)c1ccc2nc(c(C)c(O)c2c1)-c1cccc(O)c1
Show InChI InChI=1S/C21H23N3O2/c1-14-20(15-4-3-5-17(25)12-15)22-19-7-6-16(13-18(19)21(14)26)24-10-8-23(2)9-11-24/h3-7,12-13,25H,8-11H2,1-2H3,(H,22,26)
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n/an/a 334n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity KSP expressed in Escherichia coli after 30 mins by spectrophotometric analysis


Bioorg Med Chem 19: 5612-27 (2011)


Article DOI: 10.1016/j.bmc.2011.07.029
BindingDB Entry DOI: 10.7270/Q2B858HD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50351262
PNG
(CHEMBL1818677)
Show SMILES Cc1c(O)c2cc(ccc2nc1-c1ccccc1)N1CCCCC1
Show InChI InChI=1S/C21H22N2O/c1-15-20(16-8-4-2-5-9-16)22-19-11-10-17(14-18(19)21(15)24)23-12-6-3-7-13-23/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3,(H,22,24)
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n/an/a 360n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity KSP expressed in Escherichia coli after 30 mins by spectrophotometric analysis


Bioorg Med Chem 19: 5612-27 (2011)


Article DOI: 10.1016/j.bmc.2011.07.029
BindingDB Entry DOI: 10.7270/Q2B858HD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50351273
PNG
(CHEMBL1818757)
Show SMILES Oc1c(Cc2ccccc2)c(nc2ccc(cc12)N1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C26H24N2O2/c29-26-22-18-21(28-13-15-30-16-14-28)11-12-24(22)27-25(20-9-5-2-6-10-20)23(26)17-19-7-3-1-4-8-19/h1-12,18H,13-17H2,(H,27,29)
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n/an/a 828n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity KSP expressed in Escherichia coli after 30 mins by spectrophotometric analysis


Bioorg Med Chem 19: 5612-27 (2011)


Article DOI: 10.1016/j.bmc.2011.07.029
BindingDB Entry DOI: 10.7270/Q2B858HD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50351278
PNG
(CHEMBL1818762)
Show SMILES CC1Nc2ccc(cc2C(=O)N1c1ccc(O)cc1)N1CCOCC1
Show InChI InChI=1S/C19H21N3O3/c1-13-20-18-7-4-15(21-8-10-25-11-9-21)12-17(18)19(24)22(13)14-2-5-16(23)6-3-14/h2-7,12-13,20,23H,8-11H2,1H3
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n/an/a 1.05E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity KSP expressed in Escherichia coli after 30 mins by spectrophotometric analysis


Bioorg Med Chem 19: 5612-27 (2011)


Article DOI: 10.1016/j.bmc.2011.07.029
BindingDB Entry DOI: 10.7270/Q2B858HD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50351261
PNG
(CHEMBL1818676)
Show SMILES CN1CCN(CC1)c1ccc2nc(c(C)c(O)c2c1)-c1ccc(O)cc1
Show InChI InChI=1S/C21H23N3O2/c1-14-20(15-3-6-17(25)7-4-15)22-19-8-5-16(13-18(19)21(14)26)24-11-9-23(2)10-12-24/h3-8,13,25H,9-12H2,1-2H3,(H,22,26)
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n/an/a 1.18E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity KSP expressed in Escherichia coli after 30 mins by spectrophotometric analysis


Bioorg Med Chem 19: 5612-27 (2011)


Article DOI: 10.1016/j.bmc.2011.07.029
BindingDB Entry DOI: 10.7270/Q2B858HD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50351268
PNG
(CHEMBL1818752)
Show SMILES CN1CCN(CC1)c1ccc2nc(-c3cccc(O)c3)c(Cc3ccccc3)c(O)c2c1
Show InChI InChI=1S/C27H27N3O2/c1-29-12-14-30(15-13-29)21-10-11-25-23(18-21)27(32)24(16-19-6-3-2-4-7-19)26(28-25)20-8-5-9-22(31)17-20/h2-11,17-18,31H,12-16H2,1H3,(H,28,32)
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n/an/a 1.31E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity KSP expressed in Escherichia coli after 30 mins by spectrophotometric analysis


Bioorg Med Chem 19: 5612-27 (2011)


Article DOI: 10.1016/j.bmc.2011.07.029
BindingDB Entry DOI: 10.7270/Q2B858HD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50351266
PNG
(CHEMBL1818750)
Show SMILES Cc1c(O)c2cc(ccc2nc1-c1cccc(O)c1)N1CCOCC1
Show InChI InChI=1S/C20H20N2O3/c1-13-19(14-3-2-4-16(23)11-14)21-18-6-5-15(12-17(18)20(13)24)22-7-9-25-10-8-22/h2-6,11-12,23H,7-10H2,1H3,(H,21,24)
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n/an/a 1.44E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity KSP expressed in Escherichia coli after 30 mins by spectrophotometric analysis


Bioorg Med Chem 19: 5612-27 (2011)


Article DOI: 10.1016/j.bmc.2011.07.029
BindingDB Entry DOI: 10.7270/Q2B858HD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50351269
PNG
(CHEMBL1818753)
Show SMILES CN1CCN(CC1)c1ccc2nc(-c3ccc(O)cc3)c(Cc3ccccc3)c(O)c2c1
Show InChI InChI=1S/C27H27N3O2/c1-29-13-15-30(16-14-29)21-9-12-25-23(18-21)27(32)24(17-19-5-3-2-4-6-19)26(28-25)20-7-10-22(31)11-8-20/h2-12,18,31H,13-17H2,1H3,(H,28,32)
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n/an/a 1.49E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity KSP expressed in Escherichia coli after 30 mins by spectrophotometric analysis


Bioorg Med Chem 19: 5612-27 (2011)


Article DOI: 10.1016/j.bmc.2011.07.029
BindingDB Entry DOI: 10.7270/Q2B858HD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50351264
PNG
(CHEMBL1818748)
Show SMILES Cc1c(O)c2cc(ccc2nc1-c1ccc(O)cc1)N1CCCCC1
Show InChI InChI=1S/C21H22N2O2/c1-14-20(15-5-8-17(24)9-6-15)22-19-10-7-16(13-18(19)21(14)25)23-11-3-2-4-12-23/h5-10,13,24H,2-4,11-12H2,1H3,(H,22,25)
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n/an/a 1.94E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity KSP expressed in Escherichia coli after 30 mins by spectrophotometric analysis


Bioorg Med Chem 19: 5612-27 (2011)


Article DOI: 10.1016/j.bmc.2011.07.029
BindingDB Entry DOI: 10.7270/Q2B858HD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50351265
PNG
(CHEMBL1818749)
Show SMILES Cc1c(O)c2cc(ccc2nc1-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C20H20N2O2/c1-14-19(15-5-3-2-4-6-15)21-18-8-7-16(13-17(18)20(14)23)22-9-11-24-12-10-22/h2-8,13H,9-12H2,1H3,(H,21,23)
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n/an/a 2.35E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity KSP expressed in Escherichia coli after 30 mins by spectrophotometric analysis


Bioorg Med Chem 19: 5612-27 (2011)


Article DOI: 10.1016/j.bmc.2011.07.029
BindingDB Entry DOI: 10.7270/Q2B858HD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50351287
PNG
(CHEMBL1818771)
Show SMILES Oc1ccc(cc1)N1C(Cc2ccccc2)Nc2ccc(cc2C1=O)N1CCOCC1
Show InChI InChI=1S/C25H25N3O3/c29-21-9-6-19(7-10-21)28-24(16-18-4-2-1-3-5-18)26-23-11-8-20(17-22(23)25(28)30)27-12-14-31-15-13-27/h1-11,17,24,26,29H,12-16H2
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n/an/a 2.77E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity KSP expressed in Escherichia coli after 30 mins by spectrophotometric analysis


Bioorg Med Chem 19: 5612-27 (2011)


Article DOI: 10.1016/j.bmc.2011.07.029
BindingDB Entry DOI: 10.7270/Q2B858HD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50351286
PNG
(CHEMBL1818770)
Show SMILES Oc1cccc(c1)N1C(Cc2ccccc2)Nc2ccc(cc2C1=O)N1CCOCC1
Show InChI InChI=1S/C25H25N3O3/c29-21-8-4-7-20(16-21)28-24(15-18-5-2-1-3-6-18)26-23-10-9-19(17-22(23)25(28)30)27-11-13-31-14-12-27/h1-10,16-17,24,26,29H,11-15H2
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n/an/a 2.94E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity KSP expressed in Escherichia coli after 30 mins by spectrophotometric analysis


Bioorg Med Chem 19: 5612-27 (2011)


Article DOI: 10.1016/j.bmc.2011.07.029
BindingDB Entry DOI: 10.7270/Q2B858HD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50351276
PNG
(CHEMBL1818760)
Show SMILES CC1Nc2ccc(cc2C(=O)N1c1ccc(O)cc1)N1CCCCC1
Show InChI InChI=1S/C20H23N3O2/c1-14-21-19-10-7-16(22-11-3-2-4-12-22)13-18(19)20(25)23(14)15-5-8-17(24)9-6-15/h5-10,13-14,21,24H,2-4,11-12H2,1H3
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n/an/a 3.41E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity KSP expressed in Escherichia coli after 30 mins by spectrophotometric analysis


Bioorg Med Chem 19: 5612-27 (2011)


Article DOI: 10.1016/j.bmc.2011.07.029
BindingDB Entry DOI: 10.7270/Q2B858HD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50351267
PNG
(CHEMBL1818751)
Show SMILES CN1CCN(CC1)c1ccc2nc(-c3ccccc3)c(Cc3ccccc3)c(O)c2c1
Show InChI InChI=1S/C27H27N3O/c1-29-14-16-30(17-15-29)22-12-13-25-23(19-22)27(31)24(18-20-8-4-2-5-9-20)26(28-25)21-10-6-3-7-11-21/h2-13,19H,14-18H2,1H3,(H,28,31)
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n/an/a 3.96E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity KSP expressed in Escherichia coli after 30 mins by spectrophotometric analysis


Bioorg Med Chem 19: 5612-27 (2011)


Article DOI: 10.1016/j.bmc.2011.07.029
BindingDB Entry DOI: 10.7270/Q2B858HD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50216502
PNG
(4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tet...)
Show SMILES CCOC(=O)C1C(NC(=S)N=C1C)c1cccc(O)c1 |w:6.13,c:10|
Show InChI InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,11-12,17H,3H2,1-2H3,(H,16,20)
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n/an/a 7.45E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity KSP expressed in Escherichia coli after 30 mins by spectrophotometric analysis


Bioorg Med Chem 19: 5612-27 (2011)


Article DOI: 10.1016/j.bmc.2011.07.029
BindingDB Entry DOI: 10.7270/Q2B858HD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50351275
PNG
(CHEMBL1818759)
Show SMILES CC1Nc2ccc(cc2C(=O)N1c1cccc(O)c1)N1CCCCC1
Show InChI InChI=1S/C20H23N3O2/c1-14-21-19-9-8-15(22-10-3-2-4-11-22)13-18(19)20(25)23(14)16-6-5-7-17(24)12-16/h5-9,12-14,21,24H,2-4,10-11H2,1H3
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n/an/a 9.93E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity KSP expressed in Escherichia coli after 30 mins by spectrophotometric analysis


Bioorg Med Chem 19: 5612-27 (2011)


Article DOI: 10.1016/j.bmc.2011.07.029
BindingDB Entry DOI: 10.7270/Q2B858HD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50351285
PNG
(CHEMBL1818769)
Show SMILES O=C1N(C(Cc2ccccc2)Nc2ccc(cc12)N1CCOCC1)c1ccccc1
Show InChI InChI=1S/C25H25N3O2/c29-25-22-18-21(27-13-15-30-16-14-27)11-12-23(22)26-24(17-19-7-3-1-4-8-19)28(25)20-9-5-2-6-10-20/h1-12,18,24,26H,13-17H2
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n/an/a 3.71E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human ATPase activity KSP expressed in Escherichia coli after 30 mins by spectrophotometric analysis


Bioorg Med Chem 19: 5612-27 (2011)


Article DOI: 10.1016/j.bmc.2011.07.029
BindingDB Entry DOI: 10.7270/Q2B858HD
More data for this
Ligand-Target Pair