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BDBM23802 2-[(triphenylmethyl)sulfanyl]ethan-1-amine::Triphenylmethyl-containing compound, 31

SMILES: NCCSC(c1ccccc1)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=XZOWICPSVWHCTC-UHFFFAOYSA-N

Data: 5 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 23802   
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 Spindle Protein Eg5


(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 -9.30n/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 1


(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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152n/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
Kinesin-like protein 1


(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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156n/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
Kinesin-like protein 1


(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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245n/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
Kinesin-like protein 1


(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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246n/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
Kinesin-like protein 1


(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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n/an/a 396n/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
Kinesin-like protein 1


(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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n/an/a 241n/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