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Compile Data Set for Download or QSAR

Found 957 hits with Last Name = 'rampa' and Initial = 'a'   
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
Cholinesterases


(Homo sapiens (Human))
BDBM50351015
PNG
(CHEMBL1819176)
Show SMILES Clc1ccc2c(NCCCCCCCNc3c4Cc5ccccc5-c4nc4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C36H37ClN4/c37-25-18-19-29-33(23-25)40-31-16-8-6-14-27(31)34(29)38-20-10-2-1-3-11-21-39-35-28-15-7-9-17-32(28)41-36-26-13-5-4-12-24(26)22-30(35)36/h4-5,7,9,12-13,15,17-19,23H,1-3,6,8,10-11,14,16,20-22H2,(H,38,40)(H,39,41)
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1n/an/an/an/an/an/an/an/a



Institut f£r Molekulare Physiologie

Curated by ChEMBL


Assay Description
Mixed-type inhibition of human AChE assessed as hydrolysis of acetylthiocholine by Lineweaver-Burk plot analysis


Eur J Med Chem 46: 4336-43 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.004
BindingDB Entry DOI: 10.7270/Q2NP24TK
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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20.5 -45.6 23.1n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob...


J Med Chem 46: 2279-82 (2003)


Article DOI: 10.1021/jm0340602
BindingDB Entry DOI: 10.7270/Q29Z9332
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cholinesterases


(Homo sapiens (Human))
BDBM10949
PNG
(3-(4-{[Benzyl(methyl)amino]methyl}-phenyl)-6,7-dim...)
Show SMILES COc1cc2cc(-c3ccc(CN(C)Cc4ccccc4)cc3)c(=O)oc2cc1OC
Show InChI InChI=1S/C26H25NO4/c1-27(16-18-7-5-4-6-8-18)17-19-9-11-20(12-10-19)22-13-21-14-24(29-2)25(30-3)15-23(21)31-26(22)28/h4-15H,16-17H2,1-3H3
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21.7 -45.5 44.5n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob...


J Med Chem 46: 2279-82 (2003)


Article DOI: 10.1021/jm0340602
BindingDB Entry DOI: 10.7270/Q29Z9332
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50308280
PNG
(2-{4-[(Benzylmethylamino)methyl]benzylidene}-6-(5-...)
Show SMILES CN(Cc1ccccc1)Cc1ccc(\C=C2/CCc3cc(OCCCCCN4CCCCC4)ccc3C2=O)cc1
Show InChI InChI=1S/C36H44N2O2/c1-37(27-30-11-5-2-6-12-30)28-31-15-13-29(14-16-31)25-33-18-17-32-26-34(19-20-35(32)36(33)39)40-24-10-4-9-23-38-21-7-3-8-22-38/h2,5-6,11-16,19-20,25-26H,3-4,7-10,17-18,21-24,27-28H2,1H3/b33-25+
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61.1n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE-mediated hydrolysis of acetylcholine by Lineweaver-Burk plot analysis


Bioorg Med Chem 18: 1749-60 (2010)


Article DOI: 10.1016/j.bmc.2010.01.071
BindingDB Entry DOI: 10.7270/Q2P26Z7H
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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151n/a 250n/an/an/an/an/an/a



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


Bioorg Med Chem 8: 497-506 (2000)


BindingDB Entry DOI: 10.7270/Q2BG2M6F
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM9074
PNG
(10H-indeno[1,2-b]quinolin-11-amine | 11H-indeno-[1...)
Show SMILES Nc1c2Cc3ccccc3-c2nc2ccccc12
Show InChI InChI=1S/C16H12N2/c17-15-12-7-3-4-8-14(12)18-16-11-6-2-1-5-10(11)9-13(15)16/h1-8H,9H2,(H2,17,18)
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210n/a 680n/an/an/an/an/an/a



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


Bioorg Med Chem 8: 497-506 (2000)


BindingDB Entry DOI: 10.7270/Q2BG2M6F
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50261233
PNG
((2-{4-[7-(benzylmethylamino)heptyloxy]phenyl}benzo...)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C36H37NO3/c1-37(27-28-15-7-5-8-16-28)25-13-3-2-4-14-26-39-31-23-21-30(22-24-31)36-34(32-19-11-12-20-33(32)40-36)35(38)29-17-9-6-10-18-29/h5-12,15-24H,2-4,13-14,25-27H2,1H3
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320n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
BindingDB Entry DOI: 10.7270/Q2XW4KW5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50394567
PNG
(CHEMBL2160225)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(OCCN2CCOCC2)cc1)Cc1ccccc1
Show InChI InChI=1S/C42H48N2O5/c1-43(32-33-12-6-5-7-13-33)24-10-3-2-4-11-28-47-36-22-18-35(19-23-36)42-40(38-14-8-9-15-39(38)49-42)41(45)34-16-20-37(21-17-34)48-31-27-44-25-29-46-30-26-44/h5-9,12-23H,2-4,10-11,24-32H2,1H3
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550n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
BindingDB Entry DOI: 10.7270/Q2XW4KW5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50394567
PNG
(CHEMBL2160225)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(OCCN2CCOCC2)cc1)Cc1ccccc1
Show InChI InChI=1S/C42H48N2O5/c1-43(32-33-12-6-5-7-13-33)24-10-3-2-4-11-28-47-36-22-18-35(19-23-36)42-40(38-14-8-9-15-39(38)49-42)41(45)34-16-20-37(21-17-34)48-31-27-44-25-29-46-30-26-44/h5-9,12-23H,2-4,10-11,24-32H2,1H3
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580n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
BindingDB Entry DOI: 10.7270/Q2XW4KW5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50394568
PNG
(CHEMBL2160223)
Show SMILES CCN(CC)CCOc1cccc(c1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C42H50N2O4/c1-4-44(5-2)28-30-47-37-20-16-19-35(31-37)41(45)40-38-21-12-13-22-39(38)48-42(40)34-23-25-36(26-24-34)46-29-15-8-6-7-14-27-43(3)32-33-17-10-9-11-18-33/h9-13,16-26,31H,4-8,14-15,27-30,32H2,1-3H3
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690n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
BindingDB Entry DOI: 10.7270/Q2XW4KW5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50394569
PNG
(CHEMBL2160222)
Show SMILES CCN(CC)Cc1ccc(cc1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C41H48N2O3/c1-4-43(5-2)31-33-20-22-34(23-21-33)40(44)39-37-18-12-13-19-38(37)46-41(39)35-24-26-36(27-25-35)45-29-15-8-6-7-14-28-42(3)30-32-16-10-9-11-17-32/h9-13,16-27H,4-8,14-15,28-31H2,1-3H3
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1.12E+3n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
BindingDB Entry DOI: 10.7270/Q2XW4KW5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50394570
PNG
(CHEMBL2160224)
Show SMILES CCN(CC)CCOc1ccc(cc1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C42H50N2O4/c1-4-44(5-2)29-31-47-37-24-20-34(21-25-37)41(45)40-38-18-12-13-19-39(38)48-42(40)35-22-26-36(27-23-35)46-30-15-8-6-7-14-28-43(3)32-33-16-10-9-11-17-33/h9-13,16-27H,4-8,14-15,28-32H2,1-3H3
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1.18E+3n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
BindingDB Entry DOI: 10.7270/Q2XW4KW5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50394572
PNG
(CHEMBL2160219)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(cc1)-c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C42H41NO3/c1-43(31-32-15-7-5-8-16-32)29-13-3-2-4-14-30-45-37-27-25-36(26-28-37)42-40(38-19-11-12-20-39(38)46-42)41(44)35-23-21-34(22-24-35)33-17-9-6-10-18-33/h5-12,15-28H,2-4,13-14,29-31H2,1H3
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1.79E+3n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
BindingDB Entry DOI: 10.7270/Q2XW4KW5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50394568
PNG
(CHEMBL2160223)
Show SMILES CCN(CC)CCOc1cccc(c1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C42H50N2O4/c1-4-44(5-2)28-30-47-37-20-16-19-35(31-37)41(45)40-38-21-12-13-22-39(38)48-42(40)34-23-25-36(26-24-34)46-29-15-8-6-7-14-27-43(3)32-33-17-10-9-11-18-33/h9-13,16-26,31H,4-8,14-15,27-30,32H2,1-3H3
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2.57E+3n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
BindingDB Entry DOI: 10.7270/Q2XW4KW5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50261202
PNG
(CHEMBL497755 | [7-(4-Benzofuran-2-yl-phenoxy)hepht...)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1cc2ccccc2o1)Cc1ccccc1
Show InChI InChI=1S/C29H33NO2/c1-30(23-24-12-6-5-7-13-24)20-10-3-2-4-11-21-31-27-18-16-25(17-19-27)29-22-26-14-8-9-15-28(26)32-29/h5-9,12-19,22H,2-4,10-11,20-21,23H2,1H3
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2.80E+3n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
BindingDB Entry DOI: 10.7270/Q2XW4KW5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50394572
PNG
(CHEMBL2160219)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(cc1)-c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C42H41NO3/c1-43(31-32-15-7-5-8-16-32)29-13-3-2-4-14-30-45-37-27-25-36(26-28-37)42-40(38-19-11-12-20-39(38)46-42)41(44)35-23-21-34(22-24-35)33-17-9-6-10-18-33/h5-12,15-28H,2-4,13-14,29-31H2,1H3
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3.12E+3n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
BindingDB Entry DOI: 10.7270/Q2XW4KW5
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM9078
PNG
(11H-indeno-[1,2-b]-quinolin-10-ylamine deriv. 2n |...)
Show SMILES C(Nc1c2Cc3ccccc3-c2nc2ccccc12)c1ccccc1
Show InChI InChI=1S/C23H18N2/c1-2-8-16(9-3-1)15-24-22-19-12-6-7-13-21(19)25-23-18-11-5-4-10-17(18)14-20(22)23/h1-13H,14-15H2,(H,24,25)
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7.50E+3n/a 7.10E+3n/an/an/an/an/an/a



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


Bioorg Med Chem 8: 497-506 (2000)


BindingDB Entry DOI: 10.7270/Q2BG2M6F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50261233
PNG
((2-{4-[7-(benzylmethylamino)heptyloxy]phenyl}benzo...)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C36H37NO3/c1-37(27-28-15-7-5-8-16-28)25-13-3-2-4-14-26-39-31-23-21-30(22-24-31)36-34(32-19-11-12-20-33(32)40-36)35(38)29-17-9-6-10-18-29/h5-12,15-24H,2-4,13-14,25-27H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
BindingDB Entry DOI: 10.7270/Q2XW4KW5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50394569
PNG
(CHEMBL2160222)
Show SMILES CCN(CC)Cc1ccc(cc1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C41H48N2O3/c1-4-43(5-2)31-33-20-22-34(23-21-33)40(44)39-37-18-12-13-19-38(37)46-41(39)35-24-26-36(27-25-35)45-29-15-8-6-7-14-28-42(3)30-32-16-10-9-11-17-32/h9-13,16-27H,4-8,14-15,28-31H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
BindingDB Entry DOI: 10.7270/Q2XW4KW5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50394580
PNG
(CHEMBL2160217)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1cccc2ccccc12)Cc1ccccc1
Show InChI InChI=1S/C40H39NO3/c1-41(29-30-15-6-5-7-16-30)27-12-3-2-4-13-28-43-33-25-23-32(24-26-33)40-38(36-20-10-11-22-37(36)44-40)39(42)35-21-14-18-31-17-8-9-19-34(31)35/h5-11,14-26H,2-4,12-13,27-29H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
BindingDB Entry DOI: 10.7270/Q2XW4KW5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50394581
PNG
(CHEMBL2160218)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc2ccccc2c1)Cc1ccccc1
Show InChI InChI=1S/C40H39NO3/c1-41(29-30-14-6-5-7-15-30)26-12-3-2-4-13-27-43-35-24-22-32(23-25-35)40-38(36-18-10-11-19-37(36)44-40)39(42)34-21-20-31-16-8-9-17-33(31)28-34/h5-11,14-25,28H,2-4,12-13,26-27,29H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
BindingDB Entry DOI: 10.7270/Q2XW4KW5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50394582
PNG
(CHEMBL2160220)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1c2ccccc2cc2ccccc12)Cc1ccccc1
Show InChI InChI=1S/C44H41NO3/c1-45(31-32-16-6-5-7-17-32)28-14-3-2-4-15-29-47-36-26-24-33(25-27-36)44-42(39-22-12-13-23-40(39)48-44)43(46)41-37-20-10-8-18-34(37)30-35-19-9-11-21-38(35)41/h5-13,16-27,30H,2-4,14-15,28-29,31H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
BindingDB Entry DOI: 10.7270/Q2XW4KW5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50261202
PNG
(CHEMBL497755 | [7-(4-Benzofuran-2-yl-phenoxy)hepht...)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1cc2ccccc2o1)Cc1ccccc1
Show InChI InChI=1S/C29H33NO2/c1-30(23-24-12-6-5-7-13-24)20-10-3-2-4-11-21-31-27-18-16-25(17-19-27)29-22-26-14-8-9-15-28(26)32-29/h5-9,12-19,22H,2-4,10-11,20-21,23H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
BindingDB Entry DOI: 10.7270/Q2XW4KW5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50394570
PNG
(CHEMBL2160224)
Show SMILES CCN(CC)CCOc1ccc(cc1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C42H50N2O4/c1-4-44(5-2)29-31-47-37-24-20-34(21-25-37)41(45)40-38-18-12-13-19-39(38)48-42(40)35-22-26-36(27-23-35)46-30-15-8-6-7-14-28-43(3)32-33-16-10-9-11-17-33/h9-13,16-27H,4-8,14-15,28-32H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
BindingDB Entry DOI: 10.7270/Q2XW4KW5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50394580
PNG
(CHEMBL2160217)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1cccc2ccccc12)Cc1ccccc1
Show InChI InChI=1S/C40H39NO3/c1-41(29-30-15-6-5-7-16-30)27-12-3-2-4-13-28-43-33-25-23-32(24-26-33)40-38(36-20-10-11-22-37(36)44-40)39(42)35-21-14-18-31-17-8-9-19-34(31)35/h5-11,14-26H,2-4,12-13,27-29H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
BindingDB Entry DOI: 10.7270/Q2XW4KW5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50394581
PNG
(CHEMBL2160218)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc2ccccc2c1)Cc1ccccc1
Show InChI InChI=1S/C40H39NO3/c1-41(29-30-14-6-5-7-15-30)26-12-3-2-4-13-27-43-35-24-22-32(23-25-35)40-38(36-18-10-11-19-37(36)44-40)39(42)34-21-20-31-16-8-9-17-33(31)28-34/h5-11,14-25,28H,2-4,12-13,26-27,29H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
BindingDB Entry DOI: 10.7270/Q2XW4KW5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50394582
PNG
(CHEMBL2160220)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1c2ccccc2cc2ccccc12)Cc1ccccc1
Show InChI InChI=1S/C44H41NO3/c1-45(31-32-16-6-5-7-17-32)28-14-3-2-4-15-29-47-36-26-24-33(25-27-36)44-42(39-22-12-13-23-40(39)48-44)43(46)41-37-20-10-8-18-34(37)30-35-19-9-11-21-38(35)41/h5-13,16-27,30H,2-4,14-15,28-29,31H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
BindingDB Entry DOI: 10.7270/Q2XW4KW5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50394577
PNG
(CHEMBL2160221)
Show SMILES CCN(CC)Cc1cccc(c1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C41H48N2O3/c1-4-43(5-2)31-33-19-16-20-35(29-33)40(44)39-37-21-12-13-22-38(37)46-41(39)34-23-25-36(26-24-34)45-28-15-8-6-7-14-27-42(3)30-32-17-10-9-11-18-32/h9-13,16-26,29H,4-8,14-15,27-28,30-31H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
BindingDB Entry DOI: 10.7270/Q2XW4KW5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50394577
PNG
(CHEMBL2160221)
Show SMILES CCN(CC)Cc1cccc(c1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C41H48N2O3/c1-4-43(5-2)31-33-19-16-20-35(29-33)40(44)39-37-21-12-13-22-38(37)46-41(39)34-23-25-36(26-24-34)45-28-15-8-6-7-14-27-42(3)30-32-17-10-9-11-18-32/h9-13,16-26,29H,4-8,14-15,27-28,30-31H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins


Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
BindingDB Entry DOI: 10.7270/Q2XW4KW5
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50218521
PNG
(3-{3-[(benzylethylamino)-methyl]-phenyl}-6,7-dimet...)
Show SMILES CCN(Cc1ccccc1)Cc1cccc(c1)-c1coc2cc(OC)c(OC)cc2c1=O
Show InChI InChI=1S/C27H27NO4/c1-4-28(16-19-9-6-5-7-10-19)17-20-11-8-12-21(13-20)23-18-32-24-15-26(31-3)25(30-2)14-22(24)27(23)29/h5-15,18H,4,16-17H2,1-3H3
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n/an/a>0.0000100n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


J Med Chem 50: 4250-4 (2007)


Article DOI: 10.1021/jm070100g
BindingDB Entry DOI: 10.7270/Q2QC036V
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50218506
PNG
(3-{4-[(benzylmethylamino)methyl]phenyl}-6,7-dimeth...)
Show SMILES COc1cc2occ(-c3ccc(CN(C)Cc4ccccc4)cc3)c(=O)c2cc1OC
Show InChI InChI=1S/C26H25NO4/c1-27(15-18-7-5-4-6-8-18)16-19-9-11-20(12-10-19)22-17-31-23-14-25(30-3)24(29-2)13-21(23)26(22)28/h4-14,17H,15-16H2,1-3H3
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n/an/a>0.0000100n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


J Med Chem 50: 4250-4 (2007)


Article DOI: 10.1021/jm070100g
BindingDB Entry DOI: 10.7270/Q2QC036V
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50218504
PNG
(3-{3-[(benzylmethylamino)methyl]phenyl}-6,7-dimeth...)
Show SMILES COc1cc2occ(-c3cccc(CN(C)Cc4ccccc4)c3)c(=O)c2cc1OC
Show InChI InChI=1S/C26H25NO4/c1-27(15-18-8-5-4-6-9-18)16-19-10-7-11-20(12-19)22-17-31-23-14-25(30-3)24(29-2)13-21(23)26(22)28/h4-14,17H,15-16H2,1-3H3
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n/an/a>0.0000100n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


J Med Chem 50: 4250-4 (2007)


Article DOI: 10.1021/jm070100g
BindingDB Entry DOI: 10.7270/Q2QC036V
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50218507
PNG
(6,7-dimethoxy-3-(4-{[(3-nitrobenzyl)methylamino]me...)
Show SMILES COc1cc2cc(-c3ccc(CN(C)Cc4cccc(c4)[N+]([O-])=O)cc3)c(=O)oc2cc1OC
Show InChI InChI=1S/C26H24N2O6/c1-27(16-18-5-4-6-21(11-18)28(30)31)15-17-7-9-19(10-8-17)22-12-20-13-24(32-2)25(33-3)14-23(20)34-26(22)29/h4-14H,15-16H2,1-3H3
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n/an/a>0.0000100n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


J Med Chem 50: 4250-4 (2007)


Article DOI: 10.1021/jm070100g
BindingDB Entry DOI: 10.7270/Q2QC036V
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50218508
PNG
(6,7-dimethoxy-3-(4-{[(3-methoxybenzyl)methylamino]...)
Show SMILES COc1cccc(CN(C)Cc2ccc(cc2)-c2cc3cc(OC)c(OC)cc3oc2=O)c1
Show InChI InChI=1S/C27H27NO5/c1-28(17-19-6-5-7-22(12-19)30-2)16-18-8-10-20(11-9-18)23-13-21-14-25(31-3)26(32-4)15-24(21)33-27(23)29/h5-15H,16-17H2,1-4H3
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n/an/a>0.0000100n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


J Med Chem 50: 4250-4 (2007)


Article DOI: 10.1021/jm070100g
BindingDB Entry DOI: 10.7270/Q2QC036V
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50218522
PNG
(6-amino-3-{4-[(benzylmethylamino)methyl]phenyl}-ch...)
Show SMILES CN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2cc(N)ccc2oc1=O
Show InChI InChI=1S/C24H22N2O2/c1-26(15-17-5-3-2-4-6-17)16-18-7-9-19(10-8-18)22-14-20-13-21(25)11-12-23(20)28-24(22)27/h2-14H,15-16,25H2,1H3
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n/an/a>0.0000100n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


J Med Chem 50: 4250-4 (2007)


Article DOI: 10.1021/jm070100g
BindingDB Entry DOI: 10.7270/Q2QC036V
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50218519
PNG
(6,7-dimethoxy-3-(4-{[(2-nitrobenzyl)methylamino]me...)
Show SMILES COc1cc2cc(-c3ccc(CN(C)Cc4ccccc4[N+]([O-])=O)cc3)c(=O)oc2cc1OC
Show InChI InChI=1S/C26H24N2O6/c1-27(16-19-6-4-5-7-22(19)28(30)31)15-17-8-10-18(11-9-17)21-12-20-13-24(32-2)25(33-3)14-23(20)34-26(21)29/h4-14H,15-16H2,1-3H3
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n/an/a>0.0000100n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


J Med Chem 50: 4250-4 (2007)


Article DOI: 10.1021/jm070100g
BindingDB Entry DOI: 10.7270/Q2QC036V
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50218511
PNG
(6,7-dimethoxy-3-(4-{[(4-nitrobenzyl)methylamino]me...)
Show SMILES COc1cc2cc(-c3ccc(CN(C)Cc4ccc(cc4)[N+]([O-])=O)cc3)c(=O)oc2cc1OC
Show InChI InChI=1S/C26H24N2O6/c1-27(16-18-6-10-21(11-7-18)28(30)31)15-17-4-8-19(9-5-17)22-12-20-13-24(32-2)25(33-3)14-23(20)34-26(22)29/h4-14H,15-16H2,1-3H3
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n/an/a>0.0000100n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


J Med Chem 50: 4250-4 (2007)


Article DOI: 10.1021/jm070100g
BindingDB Entry DOI: 10.7270/Q2QC036V
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50218524
PNG
(6-[(benzylmethylamino)methyl]-2,3-dimethoxyxanthen...)
Show SMILES COc1cc2oc3cc(CN(C)Cc4ccccc4)ccc3c(=O)c2cc1OC
Show InChI InChI=1S/C24H23NO4/c1-25(14-16-7-5-4-6-8-16)15-17-9-10-18-20(11-17)29-21-13-23(28-3)22(27-2)12-19(21)24(18)26/h4-13H,14-15H2,1-3H3
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n/an/a>0.0000100n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


J Med Chem 50: 4250-4 (2007)


Article DOI: 10.1021/jm070100g
BindingDB Entry DOI: 10.7270/Q2QC036V
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50218529
PNG
(6,7-dimethoxy-3-(4-{[(4-methylbenzyl)methylamino]m...)
Show SMILES COc1cc2cc(-c3ccc(CN(C)Cc4ccc(C)cc4)cc3)c(=O)oc2cc1OC
Show InChI InChI=1S/C27H27NO4/c1-18-5-7-19(8-6-18)16-28(2)17-20-9-11-21(12-10-20)23-13-22-14-25(30-3)26(31-4)15-24(22)32-27(23)29/h5-15H,16-17H2,1-4H3
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n/an/a>0.0000100n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


J Med Chem 50: 4250-4 (2007)


Article DOI: 10.1021/jm070100g
BindingDB Entry DOI: 10.7270/Q2QC036V
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50218526
PNG
(6,7-dimethoxy-3-(4-{[(3-methylbenzyl)methylamino]m...)
Show SMILES COc1cc2cc(-c3ccc(CN(C)Cc4cccc(C)c4)cc3)c(=O)oc2cc1OC
Show InChI InChI=1S/C27H27NO4/c1-18-6-5-7-20(12-18)17-28(2)16-19-8-10-21(11-9-19)23-13-22-14-25(30-3)26(31-4)15-24(22)32-27(23)29/h5-15H,16-17H2,1-4H3
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n/an/a>0.0000100n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


J Med Chem 50: 4250-4 (2007)


Article DOI: 10.1021/jm070100g
BindingDB Entry DOI: 10.7270/Q2QC036V
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50218516
PNG
(6,7-dimethoxy-3-(4-{[(2-methylbenzyl)methylamino]m...)
Show SMILES COc1cc2cc(-c3ccc(CN(C)Cc4ccccc4C)cc3)c(=O)oc2cc1OC
Show InChI InChI=1S/C27H27NO4/c1-18-7-5-6-8-21(18)17-28(2)16-19-9-11-20(12-10-19)23-13-22-14-25(30-3)26(31-4)15-24(22)32-27(23)29/h5-15H,16-17H2,1-4H3
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n/an/a>0.0000100n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


J Med Chem 50: 4250-4 (2007)


Article DOI: 10.1021/jm070100g
BindingDB Entry DOI: 10.7270/Q2QC036V
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50218523
PNG
(2-{4-[(benzylmethylamino)methyl]phenyl}-6,7-dimeth...)
Show SMILES COc1cc2oc(cc(=O)c2cc1OC)-c1ccc(CN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C26H25NO4/c1-27(16-18-7-5-4-6-8-18)17-19-9-11-20(12-10-19)23-14-22(28)21-13-25(29-2)26(30-3)15-24(21)31-23/h4-15H,16-17H2,1-3H3
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n/an/a>0.0000100n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


J Med Chem 50: 4250-4 (2007)


Article DOI: 10.1021/jm070100g
BindingDB Entry DOI: 10.7270/Q2QC036V
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50218503
PNG
(3-{3-[(benzylmethylamino)methyl]phenyl}-7-methoxyc...)
Show SMILES COc1ccc2cc(-c3cccc(CN(C)Cc4ccccc4)c3)c(=O)oc2c1
Show InChI InChI=1S/C25H23NO3/c1-26(16-18-7-4-3-5-8-18)17-19-9-6-10-20(13-19)23-14-21-11-12-22(28-2)15-24(21)29-25(23)27/h3-15H,16-17H2,1-2H3
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n/an/a>0.0000100n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


J Med Chem 50: 4250-4 (2007)


Article DOI: 10.1021/jm070100g
BindingDB Entry DOI: 10.7270/Q2QC036V
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50218514
PNG
(2-{4-[(benzylmethylamino)methyl]phenyl}-7-methoxyc...)
Show SMILES COc1ccc2c(c1)oc(cc2=O)-c1ccc(CN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C25H23NO3/c1-26(16-18-6-4-3-5-7-18)17-19-8-10-20(11-9-19)24-15-23(27)22-13-12-21(28-2)14-25(22)29-24/h3-15H,16-17H2,1-2H3
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n/an/a>0.0000100n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


J Med Chem 50: 4250-4 (2007)


Article DOI: 10.1021/jm070100g
BindingDB Entry DOI: 10.7270/Q2QC036V
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50218510
PNG
(3-{4-[(benzylmethylamino)methyl]phenyl}-6-nitrochr...)
Show SMILES CN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2cc(ccc2oc1=O)[N+]([O-])=O
Show InChI InChI=1S/C24H20N2O4/c1-25(15-17-5-3-2-4-6-17)16-18-7-9-19(10-8-18)22-14-20-13-21(26(28)29)11-12-23(20)30-24(22)27/h2-14H,15-16H2,1H3
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n/an/a>0.0000100n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


J Med Chem 50: 4250-4 (2007)


Article DOI: 10.1021/jm070100g
BindingDB Entry DOI: 10.7270/Q2QC036V
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50218509
PNG
(2-{3-[(benzylmethylamino)methyl]phenyl}-6,7-dimeth...)
Show SMILES COc1cc2oc(cc(=O)c2cc1OC)-c1cccc(CN(C)Cc2ccccc2)c1
Show InChI InChI=1S/C26H25NO4/c1-27(16-18-8-5-4-6-9-18)17-19-10-7-11-20(12-19)23-14-22(28)21-13-25(29-2)26(30-3)15-24(21)31-23/h4-15H,16-17H2,1-3H3
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n/an/a>0.0000100n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


J Med Chem 50: 4250-4 (2007)


Article DOI: 10.1021/jm070100g
BindingDB Entry DOI: 10.7270/Q2QC036V
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50218525
PNG
(6,7-dimethoxy-3-(4-{[(4-methoxybenzyl)methylamino]...)
Show SMILES COc1ccc(CN(C)Cc2ccc(cc2)-c2cc3cc(OC)c(OC)cc3oc2=O)cc1
Show InChI InChI=1S/C27H27NO5/c1-28(17-19-7-11-22(30-2)12-8-19)16-18-5-9-20(10-6-18)23-13-21-14-25(31-3)26(32-4)15-24(21)33-27(23)29/h5-15H,16-17H2,1-4H3
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n/an/a>0.0000100n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


J Med Chem 50: 4250-4 (2007)


Article DOI: 10.1021/jm070100g
BindingDB Entry DOI: 10.7270/Q2QC036V
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50189316
PNG
(CHEMBL3827288)
Show SMILES CCCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c4CCCCc4c(=O)oc3c2)c1
Show InChI InChI=1S/C32H42N2O5/c1-3-4-5-6-9-18-33-32(36)38-26-13-10-12-24(21-26)23-34(2)19-11-20-37-25-16-17-28-27-14-7-8-15-29(27)31(35)39-30(28)22-25/h10,12-13,16-17,21-22H,3-9,11,14-15,18-20,23H2,1-2H3,(H,33,36)
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n/an/a 0.270n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's meth...


J Med Chem 59: 6387-406 (2016)


BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50189320
PNG
(CHEMBL3827610)
Show SMILES CCCCCCCNC(=O)Oc1cccc(CN(C)CCCCCOc2ccc3c4CCCCc4c(=O)oc3c2)c1
Show InChI InChI=1S/C34H46N2O5/c1-3-4-5-6-10-20-35-34(38)40-28-15-13-14-26(23-28)25-36(2)21-11-7-12-22-39-27-18-19-30-29-16-8-9-17-31(29)33(37)41-32(30)24-27/h13-15,18-19,23-24H,3-12,16-17,20-22,25H2,1-2H3,(H,35,38)
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n/an/a 0.280n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's meth...


J Med Chem 59: 6387-406 (2016)


BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM10692
PNG
(3-{[methyl({3-[(9-oxo-9H-xanthen-3-yl)oxy]propyl})...)
Show SMILES CNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
Show InChI InChI=1S/C26H26N2O5/c1-27-26(30)32-20-8-5-7-18(15-20)17-28(2)13-6-14-31-19-11-12-22-24(16-19)33-23-10-4-3-9-21(23)25(22)29/h3-5,7-12,15-16H,6,13-14,17H2,1-2H3,(H,27,30)
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n/an/a 0.300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human AChE


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
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