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Compile Data Set for Download or QSAR

Found 132 hits with Last Name = 'novelli' and Initial = 'f'   
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
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50428369
PNG
((+)-Anatoxin-A | CHEMBL2332144)
Show SMILES CC(=O)C1=CCC[C@@H]2CC[C@H]1N2 |r,t:3|
Show InChI InChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3/t8-,10-/m1/s1
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0.340n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from alpha4beta2 nAChR (unknown origin)


J Nat Prod 76: 727-31 (2013)


Article DOI: 10.1021/np3007028
BindingDB Entry DOI: 10.7270/Q2F1912Q
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50219206
PNG
(Anthracen-9-yl (10H-phenothiazine-10yl) methanone,...)
Show SMILES O=C(N1c2ccccc2Sc2ccccc12)c1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C27H17NOS/c29-27(26-20-11-3-1-9-18(20)17-19-10-2-4-12-21(19)26)28-22-13-5-7-15-24(22)30-25-16-8-6-14-23(25)28/h1-17H
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3.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes BChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50219206
PNG
(Anthracen-9-yl (10H-phenothiazine-10yl) methanone,...)
Show SMILES O=C(N1c2ccccc2Sc2ccccc12)c1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C27H17NOS/c29-27(26-20-11-3-1-9-18(20)17-19-10-2-4-12-21(19)26)28-22-13-5-7-15-24(22)30-25-16-8-6-14-23(25)28/h1-17H
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3.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human plasma BChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50428369
PNG
((+)-Anatoxin-A | CHEMBL2332144)
Show SMILES CC(=O)C1=CCC[C@@H]2CC[C@H]1N2 |r,t:3|
Show InChI InChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3/t8-,10-/m1/s1
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91n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR (unknown origin)


J Nat Prod 76: 727-31 (2013)


Article DOI: 10.1021/np3007028
BindingDB Entry DOI: 10.7270/Q2F1912Q
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50428368
PNG
(CHEMBL2332145)
Show SMILES CC(=O)C1=CC[C@@H]2CC[C@H]1N2 |r,t:3|
Show InChI InChI=1S/C9H13NO/c1-6(11)8-4-2-7-3-5-9(8)10-7/h4,7,9-10H,2-3,5H2,1H3/t7-,9-/m1/s1
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94n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR (unknown origin)


J Nat Prod 76: 727-31 (2013)


Article DOI: 10.1021/np3007028
BindingDB Entry DOI: 10.7270/Q2F1912Q
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50143282
PNG
((-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-m...)
Show SMILES O=c1cccc2[C@H]3CNC[C@H](C3)Cn12
Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8?,9-/m1/s1
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230n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR from rat hippocampus


J Nat Prod 76: 727-31 (2013)


Article DOI: 10.1021/np3007028
BindingDB Entry DOI: 10.7270/Q2F1912Q
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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230n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR from rat hippocampus


J Nat Prod 76: 727-31 (2013)


Article DOI: 10.1021/np3007028
BindingDB Entry DOI: 10.7270/Q2F1912Q
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50428372
PNG
(CHEMBL2332152)
Show SMILES CC(C)C(=O)N[C@H]1CCN2CCCC[C@@H]12 |r|
Show InChI InChI=1S/C12H22N2O/c1-9(2)12(15)13-10-6-8-14-7-4-3-5-11(10)14/h9-11H,3-8H2,1-2H3,(H,13,15)/t10-,11-/m0/s1
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2.60E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR from rat hippocampus


J Nat Prod 76: 727-31 (2013)


Article DOI: 10.1021/np3007028
BindingDB Entry DOI: 10.7270/Q2F1912Q
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50428371
PNG
(CHEMBL2332153)
Show SMILES CC(C)C(=O)N[C@@H]1CCN2CCCC[C@@H]12 |r|
Show InChI InChI=1S/C12H22N2O/c1-9(2)12(15)13-10-6-8-14-7-4-3-5-11(10)14/h9-11H,3-8H2,1-2H3,(H,13,15)/t10-,11+/m1/s1
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2.90E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR from rat hippocampus


J Nat Prod 76: 727-31 (2013)


Article DOI: 10.1021/np3007028
BindingDB Entry DOI: 10.7270/Q2F1912Q
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50428370
PNG
((+)-Laburnamine | CHEMBL2332146)
Show SMILES CCC(C)C(=O)N[C@H]1CCN2CCC[C@H]12 |r|
Show InChI InChI=1S/C12H22N2O/c1-3-9(2)12(15)13-10-6-8-14-7-4-5-11(10)14/h9-11H,3-8H2,1-2H3,(H,13,15)/t9?,10-,11+/m0/s1
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4.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR from rat hippocampus


J Nat Prod 76: 727-31 (2013)


Article DOI: 10.1021/np3007028
BindingDB Entry DOI: 10.7270/Q2F1912Q
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50428368
PNG
(CHEMBL2332145)
Show SMILES CC(=O)C1=CC[C@@H]2CC[C@H]1N2 |r,t:3|
Show InChI InChI=1S/C9H13NO/c1-6(11)8-4-2-7-3-5-9(8)10-7/h4,7,9-10H,2-3,5H2,1H3/t7-,9-/m1/s1
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1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]methyllycaconitine from alpha7 nAChR (unknown origin)


J Nat Prod 76: 727-31 (2013)


Article DOI: 10.1021/np3007028
BindingDB Entry DOI: 10.7270/Q2F1912Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM39341
PNG
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
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n/an/a 3.80n/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche - Università di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-pirenzepine binding to muscarinic M1 receptor in brain cortex of rat.


Bioorg Med Chem Lett 9: 3031-4 (1999)


BindingDB Entry DOI: 10.7270/Q2V40TD2
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM10972
PNG
((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)NCCCCCCC)ccc1N2C
Show InChI InChI=1S/C21H33N3O2/c1-5-6-7-8-9-13-22-20(25)26-16-10-11-18-17(15-16)21(2)12-14-23(3)19(21)24(18)4/h10-11,15,19H,5-9,12-14H2,1-4H3,(H,22,25)/t19-,21+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes BChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM10972
PNG
((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)NCCCCCCC)ccc1N2C
Show InChI InChI=1S/C21H33N3O2/c1-5-6-7-8-9-13-22-20(25)26-16-10-11-18-17(15-16)21(2)12-14-23(3)19(21)24(18)4/h10-11,15,19H,5-9,12-14H2,1-4H3,(H,22,25)/t19-,21+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human plasma BChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50312803
PNG
((3aS,8aR)-3a,8-dimethyl-1-phenethyl-1,2,3,3a,8,8a-...)
Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCc5ccccc5)CC[C@@]4(C)c3c2)cc1 |r|
Show InChI InChI=1S/C30H35N3O2/c1-21(2)23-10-12-24(13-11-23)31-29(34)35-25-14-15-27-26(20-25)30(3)17-19-33(28(30)32(27)4)18-16-22-8-6-5-7-9-22/h5-15,20-21,28H,16-19H2,1-4H3,(H,31,34)/t28-,30-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes BChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50312803
PNG
((3aS,8aR)-3a,8-dimethyl-1-phenethyl-1,2,3,3a,8,8a-...)
Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCc5ccccc5)CC[C@@]4(C)c3c2)cc1 |r|
Show InChI InChI=1S/C30H35N3O2/c1-21(2)23-10-12-24(13-11-23)31-29(34)35-25-14-15-27-26(20-25)30(3)17-19-33(28(30)32(27)4)18-16-22-8-6-5-7-9-22/h5-15,20-21,28H,16-19H2,1-4H3,(H,31,34)/t28-,30-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human plasma BChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50082336
PNG
(CHEMBL322378 | N-(4-Benzoyl-2-methyl-phenyl)-2-(R)...)
Show SMILES Cc1cc(ccc1NC(=O)CC1CCCN2CCCC[C@H]12)C(=O)c1ccccc1
Show InChI InChI=1S/C25H30N2O2/c1-18-16-21(25(29)19-8-3-2-4-9-19)12-13-22(18)26-24(28)17-20-10-7-15-27-14-6-5-11-23(20)27/h2-4,8-9,12-13,16,20,23H,5-7,10-11,14-15,17H2,1H3,(H,26,28)/t20?,23-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche - Università di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-pirenzepine binding to muscarinic M1 receptor in brain cortex of rat.


Bioorg Med Chem Lett 9: 3031-4 (1999)


BindingDB Entry DOI: 10.7270/Q2V40TD2
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50346444
PNG
(CHEMBL1782707 | [4-(4-morpholinyl)butyl]carbamic a...)
Show SMILES CN(C)CC(C)(C)c1cccc(OC(=O)NCCCCN2CCOCC2)c1
Show InChI InChI=1S/C21H35N3O3/c1-21(2,17-23(3)4)18-8-7-9-19(16-18)27-20(25)22-10-5-6-11-24-12-14-26-15-13-24/h7-9,16H,5-6,10-15,17H2,1-4H3,(H,22,25)
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n/an/a 9n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes BChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50346444
PNG
(CHEMBL1782707 | [4-(4-morpholinyl)butyl]carbamic a...)
Show SMILES CN(C)CC(C)(C)c1cccc(OC(=O)NCCCCN2CCOCC2)c1
Show InChI InChI=1S/C21H35N3O3/c1-21(2,17-23(3)4)18-8-7-9-19(16-18)27-20(25)22-10-5-6-11-24-12-14-26-15-13-24/h7-9,16H,5-6,10-15,17H2,1-4H3,(H,22,25)
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n/an/a 9n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human plasma BChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50082333
PNG
(11-[2-(Octahydro-quinolizin-1-ylmethylsulfanyl)-ac...)
Show SMILES O=C(CSCC1CCCN2CCCCC12)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C24H28N4O2S/c29-22(16-31-15-17-7-6-14-27-13-4-3-10-20(17)27)28-21-11-2-1-8-18(21)24(30)26-19-9-5-12-25-23(19)28/h1-2,5,8-9,11-12,17,20H,3-4,6-7,10,13-16H2,(H,26,30)
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n/an/a 10n/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche - Università di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-pirenzepine binding to muscarinic M1 receptor in brain cortex of rat.


Bioorg Med Chem Lett 9: 3031-4 (1999)


BindingDB Entry DOI: 10.7270/Q2V40TD2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50082335
PNG
(11-((S)-2-Octahydro-quinolizin-1-yl-thioacetyl)-5,...)
Show SMILES O=C1Nc2cccnc2N(C(=S)CC2CCCN3CCCC[C@@H]23)c2ccccc12
Show InChI InChI=1S/C23H26N4OS/c28-23-17-8-1-2-11-20(17)27(22-18(25-23)9-5-12-24-22)21(29)15-16-7-6-14-26-13-4-3-10-19(16)26/h1-2,5,8-9,11-12,16,19H,3-4,6-7,10,13-15H2,(H,25,28)/t16?,19-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche - Università di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-pirenzepine binding to muscarinic M1 receptor in brain cortex of rat.


Bioorg Med Chem Lett 9: 3031-4 (1999)


BindingDB Entry DOI: 10.7270/Q2V40TD2
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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n/an/a 22n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human plasma AChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 22n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cholinesterases


(Homo sapiens (Human))
BDBM10972
PNG
((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)NCCCCCCC)ccc1N2C
Show InChI InChI=1S/C21H33N3O2/c1-5-6-7-8-9-13-22-20(25)26-16-10-11-18-17(15-16)21(2)12-14-23(3)19(21)24(18)4/h10-11,15,19H,5-9,12-14H2,1-4H3,(H,22,25)/t19-,21+/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50082334
PNG
(11-{2-[(Octahydro-quinolizin-1-ylmethyl)-amino]-ac...)
Show SMILES O=C(CNCC1CCCN2CCCCC12)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C24H29N5O2/c30-22(16-25-15-17-7-6-14-28-13-4-3-10-20(17)28)29-21-11-2-1-8-18(21)24(31)27-19-9-5-12-26-23(19)29/h1-2,5,8-9,11-12,17,20,25H,3-4,6-7,10,13-16H2,(H,27,31)
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n/an/a 28n/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche - Università di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-pirenzepine binding to muscarinic M1 receptor in brain cortex of rat.


Bioorg Med Chem Lett 9: 3031-4 (1999)


BindingDB Entry DOI: 10.7270/Q2V40TD2
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human plasma BChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes BChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50450970
PNG
(CHEMBL2111621)
Show SMILES O=C(C[C@H]1CCCN2CCCCC12)N1c2ccccc2C(=O)Nc2cccnc12 |r|
Show InChI InChI=1S/C23H26N4O2/c28-21(15-16-7-6-14-26-13-4-3-10-19(16)26)27-20-11-2-1-8-17(20)23(29)25-18-9-5-12-24-22(18)27/h1-2,5,8-9,11-12,16,19H,3-4,6-7,10,13-15H2,(H,25,29)/t16-,19?/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche - Università di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-pirenzepine binding to muscarinic M1 receptor in brain cortex of rat.


Bioorg Med Chem Lett 9: 3031-4 (1999)


BindingDB Entry DOI: 10.7270/Q2V40TD2
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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n/an/a 47n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human plasma BChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
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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n/an/a 47n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes BChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50450971
PNG
(CHEMBL2112418)
Show SMILES O=C(C[C@@H]1CCCN2CCCCC12)N1c2ccccc2C(=O)Nc2cccnc12 |r|
Show InChI InChI=1S/C23H26N4O2/c28-21(15-16-7-6-14-26-13-4-3-10-19(16)26)27-20-11-2-1-8-17(20)23(29)25-18-9-5-12-24-22(18)27/h1-2,5,8-9,11-12,16,19H,3-4,6-7,10,13-15H2,(H,25,29)/t16-,19?/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche - Università di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-pirenzepine binding to muscarinic M1 receptor in brain cortex of rat.


Bioorg Med Chem Lett 9: 3031-4 (1999)


BindingDB Entry DOI: 10.7270/Q2V40TD2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50346435
PNG
((1S,9aR)-1-((9H-thioxanthen-9-yl)methyl)octahydro-...)
Show SMILES C([C@@H]1CCCN2CCCC[C@H]12)C1c2ccccc2Sc2ccccc12 |r|
Show InChI InChI=1S/C23H27NS/c1-3-12-22-18(9-1)20(19-10-2-4-13-23(19)25-22)16-17-8-7-15-24-14-6-5-11-21(17)24/h1-4,9-10,12-13,17,20-21H,5-8,11,14-16H2/t17-,21+/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of Equine serum BChE using butyrylthiocoline iodide as a substrate after 20 mins by Ellman's assay


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
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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n/an/a 190n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human plasma AChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
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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n/an/a 190n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50346417
PNG
(6-chloro-2-methoxy-N-(3-(((1R,9aR)-octahydro-1H-qu...)
Show SMILES COc1ccc2nc3cc(Cl)ccc3c(NCCCSC[C@@H]3CCCN4CCCC[C@H]34)c2c1 |r|
Show InChI InChI=1S/C27H34ClN3OS/c1-32-21-9-11-24-23(17-21)27(22-10-8-20(28)16-25(22)30-24)29-12-5-15-33-18-19-6-4-14-31-13-3-2-7-26(19)31/h8-11,16-17,19,26H,2-7,12-15,18H2,1H3,(H,29,30)/t19-,26+/m0/s1
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n/an/a 220n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte AChE using acetylthiocholine iodide as a substrate after 20 mins by Ellman's assay


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50346422
PNG
(10-(3-(4-hydroxypiperidin-1-yl)propyl)-10H-phenoth...)
Show SMILES OC1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C21H23N3OS/c22-15-16-6-7-21-19(14-16)24(18-4-1-2-5-20(18)26-21)11-3-10-23-12-8-17(25)9-13-23/h1-2,4-7,14,17,25H,3,8-13H2
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n/an/a 230n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of Equine serum BChE using butyrylthiocoline iodide as a substrate after 20 mins by Ellman's assay


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM8958
PNG
(10-(2-diethylaminopropyl)phenothiazine | CHEMBL120...)
Show SMILES CCN(CC)C(C)CN1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3
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n/an/a 260n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM8958
PNG
(10-(2-diethylaminopropyl)phenothiazine | CHEMBL120...)
Show SMILES CCN(CC)C(C)CN1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3
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n/an/a 300n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes BChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM8958
PNG
(10-(2-diethylaminopropyl)phenothiazine | CHEMBL120...)
Show SMILES CCN(CC)C(C)CN1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3
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n/an/a 300n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of human plasma BChE


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM39341
PNG
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
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Dipartimento di Scienze Farmaceutiche - Università di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-methylscopolamine binding to muscarinic M3 receptor in submaxillary salivary glands of rats.


Bioorg Med Chem Lett 9: 3031-4 (1999)


BindingDB Entry DOI: 10.7270/Q2V40TD2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50346416
PNG
(6-chloro-2-methoxy-N-(2-(((1R,9aR)-octahydro-1H-qu...)
Show SMILES COc1ccc2nc3cc(Cl)ccc3c(NCCSC[C@@H]3CCCN4CCCC[C@H]34)c2c1 |r|
Show InChI InChI=1S/C26H32ClN3OS/c1-31-20-8-10-23-22(16-20)26(21-9-7-19(27)15-24(21)29-23)28-11-14-32-17-18-5-4-13-30-12-3-2-6-25(18)30/h7-10,15-16,18,25H,2-6,11-14,17H2,1H3,(H,28,29)/t18-,25+/m0/s1
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Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of Equine serum BChE using butyrylthiocoline iodide as a substrate after 20 mins by Ellman's assay


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50346436
PNG
(5-Methyl-1-(9H-thioxanthen-9-ylmethyl)-(1S,9aR)-oc...)
Show SMILES C[N+]12CCCC[C@@H]1[C@H](CC1c3ccccc3Sc3ccccc13)CCC2 |r|
Show InChI InChI=1S/C24H30NS/c1-25-15-7-6-12-22(25)18(9-8-16-25)17-21-19-10-2-4-13-23(19)26-24-14-5-3-11-20(21)24/h2-5,10-11,13-14,18,21-22H,6-9,12,15-17H2,1H3/q+1/t18-,22+,25?/m0/s1
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Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of Equine serum BChE using butyrylthiocoline iodide as a substrate after 20 mins by Ellman's assay


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50346408
PNG
(2-(((1R,9aR)-octahydro-1H-quinolizin-1-yl)methylth...)
Show SMILES O=C(CSC[C@@H]1CCCN2CCCC[C@H]12)N1c2ccccc2Sc2ccccc12 |r|
Show InChI InChI=1S/C24H28N2OS2/c27-24(17-28-16-18-8-7-15-25-14-6-5-9-19(18)25)26-20-10-1-3-12-22(20)29-23-13-4-2-11-21(23)26/h1-4,10-13,18-19H,5-9,14-17H2/t18-,19+/m0/s1
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Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of Equine serum BChE using butyrylthiocoline iodide as a substrate after 20 mins by Ellman's assay


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50346410
PNG
(2-[(1R,9aR)-(Octahydro-1H-quinolizin-1-yl)methylth...)
Show SMILES CC(SC[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1c2ccccc2Sc2ccccc12 |r|
Show InChI InChI=1S/C25H30N2OS2/c1-18(29-17-19-9-8-16-26-15-7-6-10-20(19)26)25(28)27-21-11-2-4-13-23(21)30-24-14-5-3-12-22(24)27/h2-5,11-14,18-20H,6-10,15-17H2,1H3/t18?,19-,20+/m0/s1
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Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of Equine serum BChE using butyrylthiocoline iodide as a substrate after 20 mins by Ellman's assay


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50346425
PNG
((1S,9aR)-1-((10H-phenothiazin-10-yl)methyl)-5-meth...)
Show SMILES C[N+]12CCCC[C@@H]1[C@H](CN1c3ccccc3Sc3ccccc13)CCC2 |r|
Show InChI InChI=1S/C23H29N2S/c1-25-15-7-6-12-21(25)18(9-8-16-25)17-24-19-10-2-4-13-22(19)26-23-14-5-3-11-20(23)24/h2-5,10-11,13-14,18,21H,6-9,12,15-17H2,1H3/q+1/t18-,21+,25?/m0/s1
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Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of Equine serum BChE using butyrylthiocoline iodide as a substrate after 20 mins by Ellman's assay


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50346442
PNG
((1S,9aR)-1-((9H-fluoren-9-yl)methyl)octahydro-1H-q...)
Show SMILES C(C1c2ccccc2-c2ccccc12)[C@@H]1CCCN2CCCC[C@H]12 |r|
Show InChI InChI=1S/C23H27N/c1-3-11-20-18(9-1)19-10-2-4-12-21(19)22(20)16-17-8-7-15-24-14-6-5-13-23(17)24/h1-4,9-12,17,22-23H,5-8,13-16H2/t17-,23+/m0/s1
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Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of Equine serum BChE using butyrylthiocoline iodide as a substrate after 20 mins by Ellman's assay


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50082338
PNG
(11-(2-Octahydro-quinolizin-1-yl-acetyl)-6,11-dihyd...)
Show SMILES O=C(CC1CCCN2CCCCC12)N1c2ccccc2NC(=O)c2cccnc12
Show InChI InChI=1S/C23H26N4O2/c28-21(15-16-7-6-14-26-13-4-3-10-19(16)26)27-20-11-2-1-9-18(20)25-23(29)17-8-5-12-24-22(17)27/h1-2,5,8-9,11-12,16,19H,3-4,6-7,10,13-15H2,(H,25,29)
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Dipartimento di Scienze Farmaceutiche - Università di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-pirenzepine binding to muscarinic M1 receptor in brain cortex of rat.


Bioorg Med Chem Lett 9: 3031-4 (1999)


BindingDB Entry DOI: 10.7270/Q2V40TD2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50346421
PNG
(6-(5-(((1R,9aR)-octahydro-1H-quinolizin-1-yl)methy...)
Show SMILES O=c1ccc2cc(OCCCCCSC[C@@H]3CCCN4CCCC[C@H]34)ccc2o1 |r|
Show InChI InChI=1S/C24H33NO3S/c26-24-12-9-19-17-21(10-11-23(19)28-24)27-15-4-1-5-16-29-18-20-7-6-14-25-13-3-2-8-22(20)25/h9-12,17,20,22H,1-8,13-16,18H2/t20-,22+/m0/s1
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n/an/a 680n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte AChE using acetylthiocholine iodide as a substrate after 20 mins by Ellman's assay


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50346417
PNG
(6-chloro-2-methoxy-N-(3-(((1R,9aR)-octahydro-1H-qu...)
Show SMILES COc1ccc2nc3cc(Cl)ccc3c(NCCCSC[C@@H]3CCCN4CCCC[C@H]34)c2c1 |r|
Show InChI InChI=1S/C27H34ClN3OS/c1-32-21-9-11-24-23(17-21)27(22-10-8-20(28)16-25(22)30-24)29-12-5-15-33-18-19-6-4-14-31-13-3-2-7-26(19)31/h8-11,16-17,19,26H,2-7,12-15,18H2,1H3,(H,29,30)/t19-,26+/m0/s1
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Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of Equine serum BChE using butyrylthiocoline iodide as a substrate after 20 mins by Ellman's assay


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM39341
PNG
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
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Dipartimento di Scienze Farmaceutiche - Università di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-methylscopolamine binding to muscarinic M2 receptor in rat heart.


Bioorg Med Chem Lett 9: 3031-4 (1999)


BindingDB Entry DOI: 10.7270/Q2V40TD2
More data for this
Ligand-Target Pair
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