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Compile Data Set for Download or QSAR

Found 65 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 2720   
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))
BDBM23772
PNG
((2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoi...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r|
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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Article
PubMed
50 -41.3n/an/an/an/an/a6.922



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23822
PNG
((2R)-2-amino-3-{[(4-methylphenyl)diphenylmethyl]su...)
Show SMILES Cc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C23H23NO2S/c1-17-12-14-20(15-13-17)23(18-8-4-2-5-9-18,19-10-6-3-7-11-19)27-16-21(24)22(25)26/h2-15,21H,16,24H2,1H3,(H,25,26)/t21-/m0/s1
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100 -40.0n/an/an/an/an/an/a25



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23812
PNG
(CHEMBL232728 | S-Trityl-L-Cysteine (STLC) Analogue...)
Show SMILES COC(=O)[C@@H](N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C23H23NO2S/c1-26-22(25)21(24)17-27-23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21H,17,24H2,1H3/t21-/m0/s1
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120 -39.5n/an/an/an/an/an/a25



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23819
PNG
((2R)-2-amino-3-{[(4-fluorophenyl)diphenylmethyl]su...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(F)cc1)C(O)=O |r|
Show InChI InChI=1S/C22H20FNO2S/c23-19-13-11-18(12-14-19)22(16-7-3-1-4-8-16,17-9-5-2-6-10-17)27-15-20(24)21(25)26/h1-14,20H,15,24H2,(H,25,26)/t20-/m0/s1
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150 -38.9n/an/an/an/an/an/a25



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23777
PNG
((2R)-2-amino-3-[(2-methyl-1,1-diphenylpropyl)sulfa...)
Show SMILES CC(C)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C19H23NO2S/c1-14(2)19(15-9-5-3-6-10-15,16-11-7-4-8-12-16)23-13-17(20)18(21)22/h3-12,14,17H,13,20H2,1-2H3,(H,21,22)/t17-/m0/s1
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150 -38.6n/an/an/an/an/a6.922



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
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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150 -38.9n/an/an/an/an/an/a25



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23778
PNG
((2R)-2-amino-3-[(cyclohexyldiphenylmethyl)sulfanyl...)
Show SMILES N[C@@H](CSC(C1CCCCC1)(c1ccccc1)c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C22H27NO2S/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/h1-2,4-7,10-13,19-20H,3,8-9,14-16,23H2,(H,24,25)/t20-/m0/s1
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175 -38.2n/an/an/an/an/a6.922



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23776
PNG
((2R)-2-amino-3-[(1,1-diphenylpentyl)sulfanyl]propa...)
Show SMILES CCCCC(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C20H25NO2S/c1-2-3-14-20(16-10-6-4-7-11-16,17-12-8-5-9-13-17)24-15-18(21)19(22)23/h4-13,18H,2-3,14-15,21H2,1H3,(H,22,23)/t18-/m0/s1
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175 -38.2n/an/an/an/an/a6.922



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23820
PNG
((2R)-2-amino-3-{[(4-chlorophenyl)diphenylmethyl]su...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(Cl)cc1)C(O)=O |r|
Show InChI InChI=1S/C22H20ClNO2S/c23-19-13-11-18(12-14-19)22(16-7-3-1-4-8-16,17-9-5-2-6-10-17)27-15-20(24)21(25)26/h1-14,20H,15,24H2,(H,25,26)/t20-/m0/s1
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200 -38.2n/an/an/an/an/an/a25



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23780
PNG
((2R)-2-amino-3-[(naphthalen-2-yldiphenylmethyl)sul...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1)C(O)=O |r|
Show InChI InChI=1S/C26H23NO2S/c27-24(25(28)29)18-30-26(21-11-3-1-4-12-21,22-13-5-2-6-14-22)23-16-15-19-9-7-8-10-20(19)17-23/h1-17,24H,18,27H2,(H,28,29)/t24-/m0/s1
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200 -37.9n/an/an/an/an/a6.922



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23823
PNG
((2R)-2-amino-3-{[(4-methoxyphenyl)diphenylmethyl]s...)
Show SMILES COc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C23H23NO3S/c1-27-20-14-12-19(13-15-20)23(17-8-4-2-5-9-17,18-10-6-3-7-11-18)28-16-21(24)22(25)26/h2-15,21H,16,24H2,1H3,(H,25,26)/t21-/m0/s1
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200 -38.2n/an/an/an/an/an/a25



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23781
PNG
((2R)-2-amino-3-[(2H-1,3-benzodioxol-5-yldiphenylme...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc2OCOc2c1)C(O)=O |r|
Show InChI InChI=1S/C23H21NO4S/c24-19(22(25)26)14-29-23(16-7-3-1-4-8-16,17-9-5-2-6-10-17)18-11-12-20-21(13-18)28-15-27-20/h1-13,19H,14-15,24H2,(H,25,26)/t19-/m0/s1
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200 -37.9n/an/an/an/an/a6.922



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23821
PNG
((2R)-2-amino-3-{[(4-bromophenyl)diphenylmethyl]sul...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(Br)cc1)C(O)=O |r|
Show InChI InChI=1S/C22H20BrNO2S/c23-19-13-11-18(12-14-19)22(16-7-3-1-4-8-16,17-9-5-2-6-10-17)27-15-20(24)21(25)26/h1-14,20H,15,24H2,(H,25,26)/t20-/m0/s1
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250 -37.7n/an/an/an/an/an/a25



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23775
PNG
((2R)-2-amino-3-[(1,1-diphenylpropyl)sulfanyl]propa...)
Show SMILES CCC(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C18H21NO2S/c1-2-18(14-9-5-3-6-10-14,15-11-7-4-8-12-15)22-13-16(19)17(20)21/h3-12,16H,2,13,19H2,1H3,(H,20,21)/t16-/m0/s1
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450 -35.9n/an/an/an/an/a6.922



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23827
PNG
((2R)-2-amino-3-{[bis(4-methoxyphenyl)(phenyl)methy...)
Show SMILES COc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C24H25NO4S/c1-28-20-12-8-18(9-13-20)24(17-6-4-3-5-7-17,30-16-22(25)23(26)27)19-10-14-21(29-2)15-11-19/h3-15,22H,16,25H2,1-2H3,(H,26,27)/t22-/m0/s1
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600 -35.5n/an/an/an/an/an/a25



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23814
PNG
(S-Trityl-L-Cysteine (STLC) Analogue, 43 | methyl (...)
Show SMILES COC(=O)[C@@H](NC(=O)[C@@H](N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C |r|
Show InChI InChI=1S/C28H32N2O3S/c1-20(2)25(27(32)33-3)30-26(31)24(29)19-34-28(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,20,24-25H,19,29H2,1-3H3,(H,30,31)/t24-,25-/m0/s1
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600 -35.5n/an/an/an/an/an/a25



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23805
PNG
((2S)-2-amino-3-(triphenylmethoxy)propanoic acid | ...)
Show SMILES N[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C22H21NO3/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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750 -35.0n/an/an/an/an/an/a25



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23836
PNG
((2R)-2-amino-3-{[9-(naphthalen-1-yl)-9H-fluoren-9-...)
Show SMILES N[C@@H](CSC1(c2ccccc2-c2ccccc12)c1cccc2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C26H21NO2S/c27-24(25(28)29)16-30-26(21-15-7-9-17-8-1-2-10-18(17)21)22-13-5-3-11-19(22)20-12-4-6-14-23(20)26/h1-15,24H,16,27H2,(H,28,29)/t24-/m0/s1
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900 -34.5n/an/an/an/an/an/a25



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23830
PNG
((2R)-2-amino-3-{[tris(4-methylphenyl)methyl]sulfan...)
Show SMILES Cc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccc(C)cc1)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C25H27NO2S/c1-17-4-10-20(11-5-17)25(29-16-23(26)24(27)28,21-12-6-18(2)7-13-21)22-14-8-19(3)9-15-22/h4-15,23H,16,26H2,1-3H3,(H,27,28)/t23-/m0/s1
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1.00E+3 -34.2n/an/an/an/an/an/a25



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23831
PNG
((2R)-2-amino-3-[(9-phenyl-9H-fluoren-9-yl)sulfanyl...)
Show SMILES N[C@@H](CSC1(c2ccccc2-c2ccccc12)c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C22H19NO2S/c23-20(21(24)25)14-26-22(15-8-2-1-3-9-15)18-12-6-4-10-16(18)17-11-5-7-13-19(17)22/h1-13,20H,14,23H2,(H,24,25)/t20-/m0/s1
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1.50E+3 -33.2n/an/an/an/an/an/a25



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23815
PNG
(2-[(2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propa...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NCC(O)=O |r|
Show InChI InChI=1S/C24H24N2O3S/c25-21(23(29)26-16-22(27)28)17-30-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17,25H2,(H,26,29)(H,27,28)/t21-/m0/s1
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1.50E+3 -33.2n/an/an/an/an/an/a25



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23816
PNG
(2-[(2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propa...)
Show SMILES CC(NC(=O)[C@@H](N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C25H26N2O3S/c1-18(24(29)30)27-23(28)22(26)17-31-25(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18,22H,17,26H2,1H3,(H,27,28)(H,29,30)/t18?,22-/m0/s1
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1.50E+3 -33.2n/an/an/an/an/an/a25



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23817
PNG
(S-Trityl-L-Cysteine (STLC) Analogue, 46 | methyl (...)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C29H34N2O3S/c1-21(2)19-26(28(33)34-3)31-27(32)25(30)20-35-29(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,21,25-26H,19-20,30H2,1-3H3,(H,31,32)/t25-,26-/m0/s1
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1.75E+3 -32.9n/an/an/an/an/an/a25



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23828
PNG
((2R)-2-amino-3-{[bis(4-methylphenyl)(phenyl)methyl...)
Show SMILES Cc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C24H25NO2S/c1-17-8-12-20(13-9-17)24(19-6-4-3-5-7-19,28-16-22(25)23(26)27)21-14-10-18(2)11-15-21/h3-15,22H,16,25H2,1-2H3,(H,26,27)/t22-/m0/s1
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2.00E+3 -32.5n/an/an/an/an/an/a25



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23774
PNG
((2R)-2-amino-3-[(1,1-diphenylethyl)sulfanyl]propan...)
Show SMILES CC(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C17H19NO2S/c1-17(13-8-4-2-5-9-13,14-10-6-3-7-11-14)21-12-15(18)16(19)20/h2-11,15H,12,18H2,1H3,(H,19,20)/t15-/m0/s1
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2.50E+3 -31.7n/an/an/an/an/a6.922



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23779
PNG
((2R)-2-amino-3-[(naphthalen-1-yldiphenylmethyl)sul...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1cccc2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C26H23NO2S/c27-24(25(28)29)18-30-26(20-12-3-1-4-13-20,21-14-5-2-6-15-21)23-17-9-11-19-10-7-8-16-22(19)23/h1-17,24H,18,27H2,(H,28,29)/t24-/m0/s1
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4.00E+3 -30.5n/an/an/an/an/a6.922



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23799
PNG
(2-amino-3-methyl-3-[(triphenylmethyl)sulfanyl]buta...)
Show SMILES CC(C)(SC(c1ccccc1)(c1ccccc1)c1ccccc1)C(N)C(O)=O
Show InChI InChI=1S/C24H25NO2S/c1-23(2,21(25)22(26)27)28-24(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17,21H,25H2,1-2H3,(H,26,27)
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5.23E+3 -29.8n/an/an/an/an/a6.922



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23833
PNG
((2R)-2-amino-3-{[9-(4-fluorophenyl)-9H-fluoren-9-y...)
Show SMILES N[C@@H](CSC1(c2ccccc2-c2ccccc12)c1ccc(F)cc1)C(O)=O |r|
Show InChI InChI=1S/C22H18FNO2S/c23-15-11-9-14(10-12-15)22(27-13-20(24)21(25)26)18-7-3-1-5-16(18)17-6-2-4-8-19(17)22/h1-12,20H,13,24H2,(H,25,26)/t20-/m0/s1
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6.00E+3 -29.8n/an/an/an/an/an/a25



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23818
PNG
((2R)-2-[(2R)-2-amino-3-[(triphenylmethyl)sulfanyl]...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C44H40N2O3S2/c45-39(31-50-43(33-19-7-1-8-20-33,34-21-9-2-10-22-34)35-23-11-3-12-24-35)41(47)46-40(42(48)49)32-51-44(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38/h1-30,39-40H,31-32,45H2,(H,46,47)(H,48,49)/t39-,40-/m0/s1
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6.75E+3 -29.5n/an/an/an/an/an/a25



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23813
PNG
(S-Trityl-L-Cysteine (STLC) Analogue, 42 | diphenyl...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C35H31NO2S/c36-32(34(37)38-33(27-16-6-1-7-17-27)28-18-8-2-9-19-28)26-39-35(29-20-10-3-11-21-29,30-22-12-4-13-23-30)31-24-14-5-15-25-31/h1-25,32-33H,26,36H2/t32-/m0/s1
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7.00E+3 -29.4n/an/an/an/an/an/a25



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23832
PNG
((2R)-2-amino-3-{[9-(4-methylphenyl)-9H-fluoren-9-y...)
Show SMILES Cc1ccc(cc1)C1(SC[C@H](N)C(O)=O)c2ccccc2-c2ccccc12 |r|
Show InChI InChI=1S/C23H21NO2S/c1-15-10-12-16(13-11-15)23(27-14-21(24)22(25)26)19-8-4-2-6-17(19)18-7-3-5-9-20(18)23/h2-13,21H,14,24H2,1H3,(H,25,26)/t21-/m0/s1
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1.30E+4 -27.9n/an/an/an/an/an/a25



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23824
PNG
((2R)-2-amino-3-({[4-(hydroxymethyl)phenyl]diphenyl...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(CO)cc1)C(O)=O |r|
Show InChI InChI=1S/C23H23NO3S/c24-21(22(26)27)16-28-23(18-7-3-1-4-8-18,19-9-5-2-6-10-19)20-13-11-17(15-25)12-14-20/h1-14,21,25H,15-16,24H2,(H,26,27)/t21-/m0/s1
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1.40E+4 -27.7n/an/an/an/an/an/a25



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23825
PNG
((2R)-2-amino-3-{[(4-hydroxyphenyl)diphenylmethyl]s...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C22H21NO3S/c23-20(21(25)26)15-27-22(16-7-3-1-4-8-16,17-9-5-2-6-10-17)18-11-13-19(24)14-12-18/h1-14,20,24H,15,23H2,(H,25,26)/t20-/m0/s1
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2.30E+4 -26.5n/an/an/an/an/an/a25



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23829
PNG
((2R)-2-amino-3-({bis[4-(hydroxymethyl)phenyl](phen...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccc(CO)cc1)c1ccc(CO)cc1)C(O)=O |r|
Show InChI InChI=1S/C24H25NO4S/c25-22(23(28)29)16-30-24(19-4-2-1-3-5-19,20-10-6-17(14-26)7-11-20)21-12-8-18(15-27)9-13-21/h1-13,22,26-27H,14-16,25H2,(H,28,29)/t22-/m0/s1
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2.30E+4 -26.5n/an/an/an/an/an/a25



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23826
PNG
((2R)-2-amino-3-{[phenylbis(4-phenylphenyl)methyl]s...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccc(cc1)-c1ccccc1)c1ccc(cc1)-c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C34H29NO2S/c35-32(33(36)37)24-38-34(29-14-8-3-9-15-29,30-20-16-27(17-21-30)25-10-4-1-5-11-25)31-22-18-28(19-23-31)26-12-6-2-7-13-26/h1-23,32H,24,35H2,(H,36,37)/t32-/m0/s1
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3.50E+4 -25.4n/an/an/an/an/an/a25



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23798
PNG
(1-methyl-2-[(triphenylmethyl)sulfanyl]benzene | Tr...)
Show SMILES Cc1ccccc1SC(c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H22S/c1-21-13-11-12-20-25(21)27-26(22-14-5-2-6-15-22,23-16-7-3-8-17-23)24-18-9-4-10-19-24/h2-20H,1H3
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n/an/an/an/an/an/an/a6.922



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23800
PNG
(Triphenylmethyl-containing compound, 29 | methyl 2...)
Show SMILES COC(=O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H20O2S/c1-24-21(23)17-25-22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,17H2,1H3
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n/an/an/an/an/an/an/a6.922



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23801
PNG
(Triphenylmethyl-containing compound, 30 | methyl 3...)
Show SMILES COC(=O)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H22O2S/c1-25-22(24)17-18-26-23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16H,17-18H2,1H3
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n/an/an/an/an/an/an/a6.922



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23835
PNG
((2R)-2-acetamido-3-[(9-phenyl-9H-fluoren-9-yl)sulf...)
Show SMILES CC(=O)N[C@@H](CSC1(c2ccccc2-c2ccccc12)c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C24H21NO3S/c1-16(26)25-22(23(27)28)15-29-24(17-9-3-2-4-10-17)20-13-7-5-11-18(20)19-12-6-8-14-21(19)24/h2-14,22H,15H2,1H3,(H,25,26)(H,27,28)/t22-/m0/s1
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n/an/an/an/an/an/an/an/a25



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23804
PNG
(4-[(triphenylmethyl)sulfanyl]butan-1-amine | Triph...)
Show SMILES NCCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H25NS/c24-18-10-11-19-25-23(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17H,10-11,18-19,24H2
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n/an/an/an/an/an/an/an/a25



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23806
PNG
(3-[(triphenylmethyl)sulfanyl]propanoic acid | Trip...)
Show SMILES OC(=O)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H20O2S/c23-21(24)16-17-25-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2,(H,23,24)
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n/an/an/an/an/an/an/an/a25



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23807
PNG
(2-[(E)-(thiophen-2-ylmethylidene)amino]-3-[(triphe...)
Show SMILES OC(=O)C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)\N=C\c1cccs1
Show InChI InChI=1S/C27H23NO2S2/c29-26(30)25(28-19-24-17-10-18-31-24)20-32-27(21-11-4-1-5-12-21,22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-19,25H,20H2,(H,29,30)/b28-19+
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n/an/an/an/an/an/an/an/a25



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23808
PNG
((2R)-2-acetamido-3-[(triphenylmethyl)sulfanyl]prop...)
Show SMILES CC(=O)N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C24H23NO3S/c1-18(26)25-22(23(27)28)17-29-24(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22H,17H2,1H3,(H,25,26)(H,27,28)/t22-/m0/s1
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n/an/an/an/an/an/an/an/a25



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23809
PNG
((2R)-2-[(triphenylmethyl)amino]-3-[(triphenylmethy...)
Show SMILES OC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C41H35NO2S/c43-39(44)38(42-40(32-19-7-1-8-20-32,33-21-9-2-10-22-33)34-23-11-3-12-24-34)31-45-41(35-25-13-4-14-26-35,36-27-15-5-16-28-36)37-29-17-6-18-30-37/h1-30,38,42H,31H2,(H,43,44)/t38-/m0/s1
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n/an/an/an/an/an/an/an/a25



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23810
PNG
(2-[(diphenylmethyl)amino]-3-[(triphenylmethyl)sulf...)
Show SMILES OC(=O)C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C35H31NO2S/c37-34(38)32(36-33(27-16-6-1-7-17-27)28-18-8-2-9-19-28)26-39-35(29-20-10-3-11-21-29,30-22-12-4-13-23-30)31-24-14-5-15-25-31/h1-25,32-33,36H,26H2,(H,37,38)
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n/an/an/an/an/an/an/an/a25



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23811
PNG
((2R)-2-{[(tert-butoxy)carbonyl]amino}-3-[(tripheny...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C27H29NO4S/c1-26(2,3)32-25(31)28-23(24(29)30)19-33-27(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23H,19H2,1-3H3,(H,28,31)(H,29,30)/t23-/m0/s1
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n/an/an/an/an/an/an/an/a25



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23834
PNG
((2R)-2-amino-3-{[9-(4-chlorophenyl)-9H-fluoren-9-y...)
Show SMILES N[C@@H](CSC1(c2ccccc2-c2ccccc12)c1ccc(Cl)cc1)C(O)=O |r|
Show InChI InChI=1S/C22H18ClNO2S/c23-15-11-9-14(10-12-15)22(27-13-20(24)21(25)26)18-7-3-1-5-16(18)17-6-2-4-8-19(17)22/h1-12,20H,13,24H2,(H,25,26)/t20-/m0/s1
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n/an/an/an/an/an/an/an/a25



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23797
PNG
(2-[(triphenylmethyl)sulfanyl]ethan-1-ol | Tripheny...)
Show SMILES OCCSC(c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H20OS/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/h1-15,22H,16-17H2
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n/an/an/an/an/an/an/a6.922



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23796
PNG
(4-[(triphenylmethyl)sulfanyl]butan-2-one | Triphen...)
Show SMILES CC(=O)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H22OS/c1-19(24)17-18-25-23(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16H,17-18H2,1H3
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n/an/an/an/an/an/an/a6.922



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM23795
PNG
(Triphenylmethyl-containing compound, 24 | {[(2-chl...)
Show SMILES ClCCSC(c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H19ClS/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,16-17H2
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n/an/an/an/an/an/an/a6.922



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
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