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11 similar compounds to monomer 50026058

Compile data set for download or QSAR
Wt: 383.4
BDBM50026060
Wt: 369.4
BDBM50026062
Wt: 397.5
BDBM50026063
Wt: 341.4
BDBM50026065
Wt: 337.4
BDBM50262500
Wt: 311.3
BDBM50262446
Wt: 351.4
BDBM50262501
Wt: 353.4
BDBM50262502
Wt: 366.4
BDBM50262504
Wt: 367.4
BDBM50026064
Wt: 396.4
BDBM50026061

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50026060,50026062,50026063,50026065,50262500,50262446,50262501,50262502,50262504,50026064,50026061   
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
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50262504
PNG
((E)-1-(2-Hydroxy-4-methoxy-5-(4-methylpiperazin-1-...)
Show SMILES COc1cc(O)c(cc1CN1CCN(C)CC1)C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C22H26N2O3/c1-23-10-12-24(13-11-23)16-18-14-19(21(26)15-22(18)27-2)20(25)9-8-17-6-4-3-5-7-17/h3-9,14-15,26H,10-13,16H2,1-2H3/b9-8+
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n/an/a>2.00E+4n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Cdk1/cyclin B


Bioorg Med Chem 16: 7128-33 (2008)


Article DOI: 10.1016/j.bmc.2008.06.055
BindingDB Entry DOI: 10.7270/Q2JQ11XQ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50262501
PNG
((E)-1-(2-Hydroxy-4-methoxy-5-(piperidin-1-ylmethyl...)
Show SMILES COc1cc(O)c(cc1CN1CCCCC1)C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C22H25NO3/c1-26-22-15-21(25)19(14-18(22)16-23-12-6-3-7-13-23)20(24)11-10-17-8-4-2-5-9-17/h2,4-5,8-11,14-15,25H,3,6-7,12-13,16H2,1H3/b11-10+
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n/an/a>2.00E+4n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Cdk1/cyclin B


Bioorg Med Chem 16: 7128-33 (2008)


Article DOI: 10.1016/j.bmc.2008.06.055
BindingDB Entry DOI: 10.7270/Q2JQ11XQ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50262500
PNG
((E)-1-(2-Hydroxy-4-methoxy-5-(pyrrolidin-1-ylmethy...)
Show SMILES COc1cc(O)c(cc1CN1CCCC1)C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C21H23NO3/c1-25-21-14-20(24)18(13-17(21)15-22-11-5-6-12-22)19(23)10-9-16-7-3-2-4-8-16/h2-4,7-10,13-14,24H,5-6,11-12,15H2,1H3/b10-9+
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n/an/a>2.00E+4n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Cdk1/cyclin B


Bioorg Med Chem 16: 7128-33 (2008)


Article DOI: 10.1016/j.bmc.2008.06.055
BindingDB Entry DOI: 10.7270/Q2JQ11XQ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50262446
PNG
((E)-1-(5-((dimethylamino)methyl)-2-hydroxy-4-metho...)
Show SMILES COc1cc(O)c(cc1CN(C)C)C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C19H21NO3/c1-20(2)13-15-11-16(18(22)12-19(15)23-3)17(21)10-9-14-7-5-4-6-8-14/h4-12,22H,13H2,1-3H3/b10-9+
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n/an/a>2.00E+4n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Cdk1/cyclin B


Bioorg Med Chem 16: 7128-33 (2008)


Article DOI: 10.1016/j.bmc.2008.06.055
BindingDB Entry DOI: 10.7270/Q2JQ11XQ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50262502
PNG
((E)-1-(2-Hydroxy-4-methoxy-5-(morpholinomethyl)-ph...)
Show SMILES COc1cc(O)c(cc1CN1CCOCC1)C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C21H23NO4/c1-25-21-14-20(24)18(13-17(21)15-22-9-11-26-12-10-22)19(23)8-7-16-5-3-2-4-6-16/h2-8,13-14,24H,9-12,15H2,1H3/b8-7+
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n/an/a>2.00E+4n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Cdk1/cyclin B


Bioorg Med Chem 16: 7128-33 (2008)


Article DOI: 10.1016/j.bmc.2008.06.055
BindingDB Entry DOI: 10.7270/Q2JQ11XQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50026065
PNG
(CHEMBL3335255)
Show SMILES COc1cc(OC)c(C(=O)\C=C\c2ccccc2)c(O)c1CN(C)C
Show InChI InChI=1S/C20H23NO4/c1-21(2)13-15-17(24-3)12-18(25-4)19(20(15)23)16(22)11-10-14-8-6-5-7-9-14/h5-12,23H,13H2,1-4H3/b11-10+
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n/an/a 1.88E+4n/an/an/an/an/an/a



Hunan University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain AChE using acetylthiocholin iodide as substrate preincubated for 25 mins by Ellman's/UV-vis spectroscopy analy...


Bioorg Med Chem Lett 24: 4749-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.087
BindingDB Entry DOI: 10.7270/Q2PR7XKV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50026061
PNG
(CHEMBL3335261)
Show SMILES COc1cc(OC)c(C(=O)\C=C\c2ccccc2)c(O)c1CN1CCN(C)CC1
Show InChI InChI=1S/C23H28N2O4/c1-24-11-13-25(14-12-24)16-18-20(28-2)15-21(29-3)22(23(18)27)19(26)10-9-17-7-5-4-6-8-17/h4-10,15,27H,11-14,16H2,1-3H3/b10-9+
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n/an/a 1.24E+4n/an/an/an/an/an/a



Hunan University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain AChE using acetylthiocholin iodide as substrate preincubated for 25 mins by Ellman's/UV-vis spectroscopy analy...


Bioorg Med Chem Lett 24: 4749-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.087
BindingDB Entry DOI: 10.7270/Q2PR7XKV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50026062
PNG
(CHEMBL3335256)
Show SMILES CCN(CC)Cc1c(OC)cc(OC)c(C(=O)\C=C\c2ccccc2)c1O
Show InChI InChI=1S/C22H27NO4/c1-5-23(6-2)15-17-19(26-3)14-20(27-4)21(22(17)25)18(24)13-12-16-10-8-7-9-11-16/h7-14,25H,5-6,15H2,1-4H3/b13-12+
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n/an/a 1.51E+4n/an/an/an/an/an/a



Hunan University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain AChE using acetylthiocholin iodide as substrate preincubated for 25 mins by Ellman's/UV-vis spectroscopy analy...


Bioorg Med Chem Lett 24: 4749-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.087
BindingDB Entry DOI: 10.7270/Q2PR7XKV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50026063
PNG
(CHEMBL3335257)
Show SMILES CCCN(CCC)Cc1c(OC)cc(OC)c(C(=O)\C=C\c2ccccc2)c1O
Show InChI InChI=1S/C24H31NO4/c1-5-14-25(15-6-2)17-19-21(28-3)16-22(29-4)23(24(19)27)20(26)13-12-18-10-8-7-9-11-18/h7-13,16,27H,5-6,14-15,17H2,1-4H3/b13-12+
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n/an/a 5.48E+4n/an/an/an/an/an/a



Hunan University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain AChE using acetylthiocholin iodide as substrate preincubated for 25 mins by Ellman's/UV-vis spectroscopy analy...


Bioorg Med Chem Lett 24: 4749-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.087
BindingDB Entry DOI: 10.7270/Q2PR7XKV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50026064
PNG
(CHEMBL3335258)
Show SMILES COc1cc(OC)c(C(=O)\C=C\c2ccccc2)c(O)c1CN1CCCC1
Show InChI InChI=1S/C22H25NO4/c1-26-19-14-20(27-2)21(18(24)11-10-16-8-4-3-5-9-16)22(25)17(19)15-23-12-6-7-13-23/h3-5,8-11,14,25H,6-7,12-13,15H2,1-2H3/b11-10+
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n/an/a 1.61E+4n/an/an/an/an/an/a



Hunan University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain AChE using acetylthiocholin iodide as substrate preincubated for 25 mins by Ellman's/UV-vis spectroscopy analy...


Bioorg Med Chem Lett 24: 4749-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.087
BindingDB Entry DOI: 10.7270/Q2PR7XKV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50026060
PNG
(CHEMBL3335260)
Show SMILES COc1cc(OC)c(C(=O)\C=C\c2ccccc2)c(O)c1CN1CCOCC1
Show InChI InChI=1S/C22H25NO5/c1-26-19-14-20(27-2)21(18(24)9-8-16-6-4-3-5-7-16)22(25)17(19)15-23-10-12-28-13-11-23/h3-9,14,25H,10-13,15H2,1-2H3/b9-8+
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n/an/a 2.65E+5n/an/an/an/an/an/a



Hunan University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain AChE using acetylthiocholin iodide as substrate preincubated for 25 mins by Ellman's/UV-vis spectroscopy analy...


Bioorg Med Chem Lett 24: 4749-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.087
BindingDB Entry DOI: 10.7270/Q2PR7XKV
More data for this
Ligand-Target Pair