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16 molecules are shown

Wt: 397.9
BDBM23820
Wt: 377.4
BDBM23822
Wt: 391.5
BDBM23828
Wt: 405.5
BDBM23830
Wt: 363.4
BDBM23772
Purchase
Wt: 301.4
BDBM23774
Wt: 287.3
BDBM23773
Purchase
Wt: 377.4
BDBM23812
Wt: 363.4
BDBM50198302
Purchase
Wt: 419.5
BDBM50339672
Wt: 405.5
BDBM50339674
Wt: 391.5
BDBM50339676
Wt: 397.9
BDBM50382556
Wt: 397.9
BDBM50382585
Wt: 411.9
BDBM50386207
Displayed 1 to 15 (of 16 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 38 hits for monomerid = 23820,23822,23828,23830,23772,23774,23773,23812,50198302,50339672,50339674,50339676,50382556,50382585,50386207   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kinesin-like protein 1


(Homo sapiens)
BDBM23822
PNG
((2R)-2-amino-3-{[(4-methylphenyl)diphenylmethyl]su...)
Show SMILES Cc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1
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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13.6n/an/an/an/an/an/an/an/a



The Beatson Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal hexa-histidine tagged human cloned Eg5 (1 to 368 amino acids) expressed in Escherichia coli BL21 (DE3) assessed as reduction...


J Med Chem 55: 1511-25 (2012)


Article DOI: 10.1021/jm201195m
BindingDB Entry DOI: 10.7270/Q2CZ386T
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin Spindle Protein Eg5


(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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50 -9.85n/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 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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71.9n/an/an/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His6-tagged human Eg5 basal ATPase activity


J Med Chem 54: 1576-86 (2011)


Article DOI: 10.1021/jm100991m
BindingDB Entry DOI: 10.7270/Q2154HC9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein 1


(Homo sapiens)
BDBM50382585
PNG
(CHEMBL2022594)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1cccc(Cl)c1)C(O)=O
Show InChI InChI=1S/C22H20ClNO2S/c23-19-13-7-12-18(14-19)22(16-8-3-1-4-9-16,17-10-5-2-6-11-17)27-15-20(24)21(25)26/h1-14,20H,15,24H2,(H,25,26)/t20-/m0/s1
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89.9n/an/an/an/an/an/an/an/a



The Beatson Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal hexa-histidine tagged human cloned Eg5 (1 to 368 amino acids) expressed in Escherichia coli BL21 (DE3) assessed as reduction...


J Med Chem 55: 1511-25 (2012)


Article DOI: 10.1021/jm201195m
BindingDB Entry DOI: 10.7270/Q2CZ386T
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein 1


(Homo sapiens)
BDBM50198302
PNG
((S)-2-amino-3-(tritylthio)propanoic acid | CHEMBL3...)
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-/m1/s1
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98.6n/an/an/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His6-tagged human Eg5 basal ATPase activity


J Med Chem 54: 1576-86 (2011)


Article DOI: 10.1021/jm100991m
BindingDB Entry DOI: 10.7270/Q2154HC9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM23822
PNG
((2R)-2-amino-3-{[(4-methylphenyl)diphenylmethyl]su...)
Show SMILES Cc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1
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 -9.54n/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 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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107n/an/an/an/an/an/an/an/a



The Beatson Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Eg5 (1 to 368 amino acid residues) motor domain basal ATPase activity expressed in Escherichia coli BL21 (...


J Med Chem 56: 1878-93 (2013)


Article DOI: 10.1021/jm3014597
BindingDB Entry DOI: 10.7270/Q20866NN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM23812
PNG
(CHEMBL232728 | S-Trityl-L-Cysteine (STLC) Analogue...)
Show SMILES COC(=O)[C@@H](N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1
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 -9.43n/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 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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129n/an/an/an/an/an/an/an/a



The Beatson Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of MT-stimulated human N-terminal His6-tagged Eg5 (1 to 368 amino acid residues) motor domain ATPase activity expressed in Escherichia col...


J Med Chem 56: 1878-93 (2013)


Article DOI: 10.1021/jm3014597
BindingDB Entry DOI: 10.7270/Q20866NN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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136n/an/an/an/an/an/an/an/a



The Beatson Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal hexa-histidine tagged human cloned Eg5 (1 to 368 amino acids) expressed in Escherichia coli BL21 (DE3) assessed as reduction...


J Med Chem 55: 1511-25 (2012)


Article DOI: 10.1021/jm201195m
BindingDB Entry DOI: 10.7270/Q2CZ386T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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144n/an/an/an/an/an/an/an/a



The Beatson Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal hexa-histidine tagged human cloned Eg5 (1 to 368 amino acids) expressed in Escherichia coli BL21 (DE3) assessed as reduction...


J Med Chem 55: 1511-25 (2012)


Article DOI: 10.1021/jm201195m
BindingDB Entry DOI: 10.7270/Q2CZ386T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM23820
PNG
((2R)-2-amino-3-{[(4-chlorophenyl)diphenylmethyl]su...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(Cl)cc1)C(O)=O
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 -9.13n/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 1


(Homo sapiens)
BDBM50339672
PNG
(CHEMBL1688926 | S-(1,1-Diphenyl[4-(tert-butyl)phen...)
Show SMILES CC(C)(C)c1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H29NO2S/c1-25(2,3)19-14-16-22(17-15-19)26(20-10-6-4-7-11-20,21-12-8-5-9-13-21)30-18-23(27)24(28)29/h4-17,23H,18,27H2,1-3H3,(H,28,29)/t23-/m0/s1
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429n/an/an/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His6-tagged human Eg5 basal ATPase activity


J Med Chem 54: 1576-86 (2011)


Article DOI: 10.1021/jm100991m
BindingDB Entry DOI: 10.7270/Q2154HC9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin Spindle Protein Eg5


(Homo sapiens)
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
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 -8.18n/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 1


(Homo sapiens)
BDBM50382556
PNG
(CHEMBL2022592)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1Cl)C(O)=O
Show InChI InChI=1S/C22H20ClNO2S/c23-19-14-8-7-13-18(19)22(16-9-3-1-4-10-16,17-11-5-2-6-12-17)27-15-20(24)21(25)26/h1-14,20H,15,24H2,(H,25,26)/t20-/m0/s1
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1.78E+3n/an/an/an/an/an/an/an/a



The Beatson Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal hexa-histidine tagged human cloned Eg5 (1 to 368 amino acids) expressed in Escherichia coli BL21 (DE3) assessed as reduction...


J Med Chem 55: 1511-25 (2012)


Article DOI: 10.1021/jm201195m
BindingDB Entry DOI: 10.7270/Q2CZ386T
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin Spindle Protein Eg5


(Homo sapiens)
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
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 -7.77n/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 Spindle Protein Eg5


(Homo sapiens)
BDBM23774
PNG
((2R)-2-amino-3-[(1,1-diphenylethyl)sulfanyl]propan...)
Show SMILES CC(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1
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 -7.56n/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 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 140n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human Eg5 catalytic domain assessed as inhibition of microtubulin-induced ATPase activity after 25 mins by spectrophotometric analysis


Eur J Med Chem 62: 614-31 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.031
BindingDB Entry DOI: 10.7270/Q2KH0PP9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 1.00E+3n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human Eg5 catalytic domain basal ATPase activity after 25 mins by spectrophotometric analysis


Eur J Med Chem 62: 614-31 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.031
BindingDB Entry DOI: 10.7270/Q2KH0PP9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)
BDBM50198302
PNG
((S)-2-amino-3-(tritylthio)propanoic acid | CHEMBL3...)
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-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of KSP


Bioorg Med Chem Lett 17: 722-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.083
BindingDB Entry DOI: 10.7270/Q2HT2Q4S
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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/an/an/a 1.72E+3n/an/an/an/a



New Mexico State University

Curated by ChEMBL


Assay Description
Inhibition of KSP in human HeLa cells assessed as bipolar spindle formation


Bioorg Med Chem 19: 5446-53 (2011)


Article DOI: 10.1016/j.bmc.2011.07.054
BindingDB Entry DOI: 10.7270/Q2KP82HC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 620n/an/an/an/an/an/a



New Mexico State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant microtubule-activated KSP motor domain ATPase activity after 10 mins by end-point assay


Bioorg Med Chem 19: 5446-53 (2011)


Article DOI: 10.1016/j.bmc.2011.07.054
BindingDB Entry DOI: 10.7270/Q2KP82HC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein 1


(Homo sapiens)
BDBM23822
PNG
((2R)-2-amino-3-{[(4-methylphenyl)diphenylmethyl]su...)
Show SMILES Cc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1
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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n/an/a 61.7n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His6-tagged human Eg5 microtubule-stimulated ATPase activity


J Med Chem 54: 1576-86 (2011)


Article DOI: 10.1021/jm100991m
BindingDB Entry DOI: 10.7270/Q2154HC9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein 1


(Homo sapiens)
BDBM23820
PNG
((2R)-2-amino-3-{[(4-chlorophenyl)diphenylmethyl]su...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(Cl)cc1)C(O)=O
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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n/an/a 53.3n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His6-tagged human Eg5 microtubule-stimulated ATPase activity


J Med Chem 54: 1576-86 (2011)


Article DOI: 10.1021/jm100991m
BindingDB Entry DOI: 10.7270/Q2154HC9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein 1


(Homo sapiens)
BDBM50339676
PNG
(CHEMBL1688921 | S-(1,1-Diphenyl[4-(ethyl)phenyl]me...)
Show SMILES CCc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H25NO2S/c1-2-18-13-15-21(16-14-18)24(19-9-5-3-6-10-19,20-11-7-4-8-12-20)28-17-22(25)23(26)27/h3-16,22H,2,17,25H2,1H3,(H,26,27)/t22-/m0/s1
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n/an/a 55.4n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His6-tagged human Eg5 microtubule-stimulated ATPase activity


J Med Chem 54: 1576-86 (2011)


Article DOI: 10.1021/jm100991m
BindingDB Entry DOI: 10.7270/Q2154HC9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein 1


(Homo sapiens)
BDBM50339674
PNG
(CHEMBL1688923 | S-(1,1-Diphenyl[4-(isopropyl)pheny...)
Show SMILES CC(C)c1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO2S/c1-18(2)19-13-15-22(16-14-19)25(20-9-5-3-6-10-20,21-11-7-4-8-12-21)29-17-23(26)24(27)28/h3-16,18,23H,17,26H2,1-2H3,(H,27,28)/t23-/m0/s1
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n/an/a 144n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His6-tagged human Eg5 microtubule-stimulated ATPase activity


J Med Chem 54: 1576-86 (2011)


Article DOI: 10.1021/jm100991m
BindingDB Entry DOI: 10.7270/Q2154HC9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein 1


(Homo sapiens)
BDBM50339672
PNG
(CHEMBL1688926 | S-(1,1-Diphenyl[4-(tert-butyl)phen...)
Show SMILES CC(C)(C)c1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H29NO2S/c1-25(2,3)19-14-16-22(17-15-19)26(20-10-6-4-7-11-20,21-12-8-5-9-13-21)30-18-23(27)24(28)29/h4-17,23H,18,27H2,1-3H3,(H,28,29)/t23-/m0/s1
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n/an/a 1.24E+3n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His6-tagged human Eg5 microtubule-stimulated ATPase activity


J Med Chem 54: 1576-86 (2011)


Article DOI: 10.1021/jm100991m
BindingDB Entry DOI: 10.7270/Q2154HC9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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)
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 285n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His6-tagged human Eg5 microtubule-stimulated ATPase activity


J Med Chem 54: 1576-86 (2011)


Article DOI: 10.1021/jm100991m
BindingDB Entry DOI: 10.7270/Q2154HC9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 1.80E+3n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of Eg5 assessed as inhibition ATP hydrolysis by ATPase assay


Bioorg Med Chem Lett 17: 3921-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.101
BindingDB Entry DOI: 10.7270/Q2542N8R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein 1


(Homo sapiens)
BDBM23773
PNG
((2R)-2-amino-3-[(diphenylmethyl)sulfanyl]propanoic...)
Show SMILES N[C@@H](CSC(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C16H17NO2S/c17-14(16(18)19)11-20-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-15H,11,17H2,(H,18,19)/t14-/m0/s1
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n/an/a>6.30E+4n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of Eg5 assessed as inhibition ATP hydrolysis by ATPase assay


Bioorg Med Chem Lett 17: 3921-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.101
BindingDB Entry DOI: 10.7270/Q2542N8R
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein 1


(Homo sapiens)
BDBM23812
PNG
(CHEMBL232728 | S-Trityl-L-Cysteine (STLC) Analogue...)
Show SMILES COC(=O)[C@@H](N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1
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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n/an/a 5.80E+3n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of Eg5 assessed as inhibition ATP hydrolysis by ATPase assay


Bioorg Med Chem Lett 17: 3921-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.101
BindingDB Entry DOI: 10.7270/Q2542N8R
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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 1.90E+3n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test


ACS Med Chem Lett 6: 1004-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00221
BindingDB Entry DOI: 10.7270/Q2WM1G76
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-5 motor protein (KSP)


(Homo sapiens (Human))
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 1.95E+3n/an/an/an/an/an/a



University of Santiago de Compostela, Jenaro de la Fuente s/n, Campus Vida, Santiago de Compostela 15782 (Spain)



Assay Description
The IC50 measurements were done using a microtubule-activated ATPase kinetic assay according to the manufacturer's instructions. Reactions were ...


Chembiochem 15: 1471-80 (2014)


Article DOI: 10.1002/cbic.201402089
BindingDB Entry DOI: 10.7270/Q29W0D5K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM23773
PNG
((2R)-2-amino-3-[(diphenylmethyl)sulfanyl]propanoic...)
Show SMILES N[C@@H](CSC(c1ccccc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C16H17NO2S/c17-14(16(18)19)11-20-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-15H,11,17H2,(H,18,19)/t14-/m0/s1
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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
3D
3D Structure (docked)
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 352n/an/an/an/an/an/a



The Beatson Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated ATPase activity of N-terminal His-6-tagged human wild type Eg5 (1 to 368) expressed in Escherichia coli BL21 by ...


J Med Chem 56: 6317-29 (2013)


Article DOI: 10.1021/jm4006274
BindingDB Entry DOI: 10.7270/Q2M32X5D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein 1


(Homo sapiens)
BDBM50198302
PNG
((S)-2-amino-3-(tritylthio)propanoic acid | CHEMBL3...)
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-/m1/s1
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Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His6-tagged human Eg5 microtubule-stimulated ATPase activity


J Med Chem 54: 1576-86 (2011)


Article DOI: 10.1021/jm100991m
BindingDB Entry DOI: 10.7270/Q2154HC9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)