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7 similar compounds to monomer 78862

Compile data set for download or QSAR
Wt: 323.3
BDBM64883
Purchase
Wt: 529.5
BDBM50002849
Wt: 467.5
BDBM50002854
Wt: 550.0
BDBM50002847
Wt: 541.6
BDBM50002846
Wt: 557.6
BDBM50002848
Wt: 481.5
BDBM50002855

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 64883,50002849,50002854,50002847,50002846,50002848,50002855   
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
heat shock protein 90


(Candida albicans)
BDBM64883
PNG
(1-Ethyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-ca...)
Show SMILES CCn1c2ccccc2c(O)c(C(=O)NCc2cccnc2)c1=O
Show InChI InChI=1S/C18H17N3O3/c1-2-21-14-8-4-3-7-13(14)16(22)15(18(21)24)17(23)20-11-12-6-5-9-19-10-12/h3-10,22H,2,11H2,1H3,(H,20,23)
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MMDB

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n/an/an/an/a 9.53E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50002846
PNG
(CHEMBL3233938)
Show SMILES COc1cc2c(O)c(C(=O)NCC3CCN(Cc4ccccc4)CC3)c(=O)n(Cc3ccccc3)c2cc1OC
Show InChI InChI=1S/C32H35N3O5/c1-39-27-17-25-26(18-28(27)40-2)35(21-24-11-7-4-8-12-24)32(38)29(30(25)36)31(37)33-19-22-13-15-34(16-14-22)20-23-9-5-3-6-10-23/h3-12,17-18,22,36H,13-16,19-21H2,1-2H3,(H,33,37)
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n/an/a 270n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...


Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50002847
PNG
(CHEMBL3233939)
Show SMILES Oc1cc2c(O)c(C(=O)NCC3CCN(Cc4ccccc4)CC3)c(=O)n(Cc3ccccc3)c2cc1O
Show InChI InChI=1S/C30H31N3O5.ClH/c34-25-15-23-24(16-26(25)35)33(19-22-9-5-2-6-10-22)30(38)27(28(23)36)29(37)31-17-20-11-13-32(14-12-20)18-21-7-3-1-4-8-21;/h1-10,15-16,20,34-36H,11-14,17-19H2,(H,31,37);1H
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...


Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50002848
PNG
(CHEMBL3233940)
Show SMILES COc1cc(Cn2c3ccccc3c(O)c(C(=O)NCC3CCN(Cc4ccccc4)CC3)c2=O)cc(OC)c1O
Show InChI InChI=1S/C32H35N3O6/c1-40-26-16-23(17-27(41-2)30(26)37)20-35-25-11-7-6-10-24(25)29(36)28(32(35)39)31(38)33-18-21-12-14-34(15-13-21)19-22-8-4-3-5-9-22/h3-11,16-17,21,36-37H,12-15,18-20H2,1-2H3,(H,33,38)
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n/an/a 560n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...


Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50002849
PNG
(CHEMBL3233941)
Show SMILES Oc1cc(Cn2c3ccccc3c(O)c(C(=O)NCC3CCN(Cc4ccccc4)CC3)c2=O)cc(O)c1O
Show InChI InChI=1S/C30H31N3O6/c34-24-14-21(15-25(35)28(24)37)18-33-23-9-5-4-8-22(23)27(36)26(30(33)39)29(38)31-16-19-10-12-32(13-11-19)17-20-6-2-1-3-7-20/h1-9,14-15,19,34-37H,10-13,16-18H2,(H,31,38)
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n/an/a 3.89E+3n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...


Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50002854
PNG
(CHEMBL3233928)
Show SMILES Oc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)n(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C29H29N3O3/c33-27-24-13-7-8-14-25(24)32(20-22-11-5-2-6-12-22)29(35)26(27)28(34)30-23-15-17-31(18-16-23)19-21-9-3-1-4-10-21/h1-14,23,33H,15-20H2,(H,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge me...


Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50002855
PNG
(CHEMBL3233929)
Show SMILES Oc1c(C(=O)NCC2CCN(Cc3ccccc3)CC2)c(=O)n(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C30H31N3O3/c34-28-25-13-7-8-14-26(25)33(21-24-11-5-2-6-12-24)30(36)27(28)29(35)31-19-22-15-17-32(18-16-22)20-23-9-3-1-4-10-23/h1-14,22,34H,15-21H2,(H,31,35)
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n/an/a 490n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...


Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50002846
PNG
(CHEMBL3233938)
Show SMILES COc1cc2c(O)c(C(=O)NCC3CCN(Cc4ccccc4)CC3)c(=O)n(Cc3ccccc3)c2cc1OC
Show InChI InChI=1S/C32H35N3O5/c1-39-27-17-25-26(18-28(27)40-2)35(21-24-11-7-4-8-12-24)32(38)29(30(25)36)31(37)33-19-22-13-15-34(16-14-22)20-23-9-5-3-6-10-23/h3-12,17-18,22,36H,13-16,19-21H2,1-2H3,(H,33,37)
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n/an/a>6.00E+4n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge me...


Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50002847
PNG
(CHEMBL3233939)
Show SMILES Oc1cc2c(O)c(C(=O)NCC3CCN(Cc4ccccc4)CC3)c(=O)n(Cc3ccccc3)c2cc1O
Show InChI InChI=1S/C30H31N3O5.ClH/c34-25-15-23-24(16-26(25)35)33(19-22-9-5-2-6-10-22)30(38)27(28(23)36)29(37)31-17-20-11-13-32(14-12-20)18-21-7-3-1-4-8-21;/h1-10,15-16,20,34-36H,11-14,17-19H2,(H,31,37);1H
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge me...


Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50002848
PNG
(CHEMBL3233940)
Show SMILES COc1cc(Cn2c3ccccc3c(O)c(C(=O)NCC3CCN(Cc4ccccc4)CC3)c2=O)cc(OC)c1O
Show InChI InChI=1S/C32H35N3O6/c1-40-26-16-23(17-27(41-2)30(26)37)20-35-25-11-7-6-10-24(25)29(36)28(32(35)39)31(38)33-18-21-12-14-34(15-13-21)19-22-8-4-3-5-9-22/h3-11,16-17,21,36-37H,12-15,18-20H2,1-2H3,(H,33,38)
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n/an/a 330n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge me...


Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50002849
PNG
(CHEMBL3233941)
Show SMILES Oc1cc(Cn2c3ccccc3c(O)c(C(=O)NCC3CCN(Cc4ccccc4)CC3)c2=O)cc(O)c1O
Show InChI InChI=1S/C30H31N3O6/c34-24-14-21(15-25(35)28(24)37)18-33-23-9-5-4-8-22(23)27(36)26(30(33)39)29(38)31-16-19-10-12-32(13-11-19)17-20-6-2-1-3-7-20/h1-9,14-15,19,34-37H,10-13,16-18H2,(H,31,38)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge me...


Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50002854
PNG
(CHEMBL3233928)
Show SMILES Oc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)n(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C29H29N3O3/c33-27-24-13-7-8-14-25(24)32(20-22-11-5-2-6-12-22)29(35)26(27)28(34)30-23-15-17-31(18-16-23)19-21-9-3-1-4-10-21/h1-14,23,33H,15-20H2,(H,30,34)
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n/an/a 390n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...


Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50002855
PNG
(CHEMBL3233929)
Show SMILES Oc1c(C(=O)NCC2CCN(Cc3ccccc3)CC2)c(=O)n(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C30H31N3O3/c34-28-25-13-7-8-14-26(25)33(21-24-11-5-2-6-12-24)30(36)27(28)29(35)31-19-22-15-17-32(18-16-22)20-23-9-3-1-4-10-23/h1-14,22,34H,15-21H2,(H,31,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge me...


Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair