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Compile Data Set for Download or QSAR

Found 64 hits with Last Name = 'pistolozzi' and Initial = 'm'   
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
Cholinesterase


(Equus caballus (Horse))
BDBM50235799
PNG
(CHEMBL4096024)
Show SMILES Cl.CCC(C)(C)NCC(O)c1cc(OC(=O)N(C)C)cc(OC(=O)N(C)C)c1
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1.40n/an/an/an/an/an/an/an/a



South China University of Technology

Curated by ChEMBL




Eur J Med Chem 126: 61-71 (2017)


Article DOI: 10.1016/j.ejmech.2016.08.061
BindingDB Entry DOI: 10.7270/Q2571F8X
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50235800
PNG
(BAMBUTEROL | Bambuterol | CHEBI:553827)
Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C
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1.40n/an/an/an/an/an/an/an/a



South China University of Technology

Curated by ChEMBL


Assay Description
Antagonism of batrachotoxin-mediated sodium ion uptake into cultured neuroblastoma cells


Eur J Med Chem 126: 61-71 (2017)


Article DOI: 10.1016/j.ejmech.2016.08.061
BindingDB Entry DOI: 10.7270/Q2571F8X
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50235801
PNG
(CHEMBL4098455)
Show SMILES Cl.CCN(C)C(=O)Oc1cc(OC(=O)N(C)CC)cc(c1)C(O)CNC(C)(C)CC
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1.5n/an/an/an/an/an/an/an/a



South China University of Technology

Curated by ChEMBL


Assay Description
Antagonism of batrachotoxin-mediated sodium ion uptake into cultured neuroblastoma cells


Eur J Med Chem 126: 61-71 (2017)


Article DOI: 10.1016/j.ejmech.2016.08.061
BindingDB Entry DOI: 10.7270/Q2571F8X
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50206578
PNG
(CHEMBL222301 | cis-((+/-)-Methyl(1R,2S/1S,2R)-2-[(...)
Show SMILES COC(=O)C1(CC1CN1CCC(O)(CC1)c1ccccc1)c1ccc(C)cc1
Show InChI InChI=1S/C24H29NO3/c1-18-8-10-20(11-9-18)24(22(26)28-2)16-21(24)17-25-14-12-23(27,13-15-25)19-6-4-3-5-7-19/h3-11,21,27H,12-17H2,1-2H3
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1.80n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from guinea pig sigma1 opioid receptor by liquid scintillation counting


J Med Chem 53: 5881-5 (2010)


Article DOI: 10.1021/jm100116p
BindingDB Entry DOI: 10.7270/Q20K28SV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50324628
PNG
((+)-Methyl(1R,2S)-2-[(4-Hydroxy-4-phenylpiperidin-...)
Show SMILES COC(=O)[C@@]1(C[C@@H]1CN1CCC(O)(CC1)c1ccccc1)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C24H29NO3/c1-18-8-10-20(11-9-18)24(22(26)28-2)16-21(24)17-25-14-12-23(27,13-15-25)19-6-4-3-5-7-19/h3-11,21,27H,12-17H2,1-2H3/t21-,24+/m1/s1
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1.90n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from guinea pig sigma1 opioid receptor by liquid scintillation counting


J Med Chem 53: 5881-5 (2010)


Article DOI: 10.1021/jm100116p
BindingDB Entry DOI: 10.7270/Q20K28SV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(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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3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(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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6.80n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50324629
PNG
((-)-Methyl(1S,2R)-2-[(4-Hydroxy-4-phenylpiperidin-...)
Show SMILES COC(=O)[C@]1(C[C@H]1CN1CCC(O)(CC1)c1ccccc1)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C24H29NO3/c1-18-8-10-20(11-9-18)24(22(26)28-2)16-21(24)17-25-14-12-23(27,13-15-25)19-6-4-3-5-7-19/h3-11,21,27H,12-17H2,1-2H3/t21-,24+/m0/s1
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13n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from guinea pig sigma1 opioid receptor by liquid scintillation counting


J Med Chem 53: 5881-5 (2010)


Article DOI: 10.1021/jm100116p
BindingDB Entry DOI: 10.7270/Q20K28SV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50221885
PNG
((S)-1,1-Dimethyl-2-quinolin-6-yl-pyrrolidinium; io...)
Show SMILES C[N+]1(C)CCC[C@H]1c1ccc2ncccc2c1
Show InChI InChI=1S/C15H19N2/c1-17(2)10-4-6-15(17)13-7-8-14-12(11-13)5-3-9-16-14/h3,5,7-9,11,15H,4,6,10H2,1-2H3/q+1/t15-/m0/s1
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16n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50221885
PNG
((S)-1,1-Dimethyl-2-quinolin-6-yl-pyrrolidinium; io...)
Show SMILES C[N+]1(C)CCC[C@H]1c1ccc2ncccc2c1
Show InChI InChI=1S/C15H19N2/c1-17(2)10-4-6-15(17)13-7-8-14-12(11-13)5-3-9-16-14/h3,5,7-9,11,15H,4,6,10H2,1-2H3/q+1/t15-/m0/s1
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42n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50221887
PNG
(1,1-dimethyl-2-quinolin-6-yl-pyrrolidinium iodide ...)
Show SMILES C[N+]1(C)CCCC1c1ccc2ncccc2c1 |w:6.7|
Show InChI InChI=1S/C15H19N2/c1-17(2)10-4-6-15(17)13-7-8-14-12(11-13)5-3-9-16-14/h3,5,7-9,11,15H,4,6,10H2,1-2H3/q+1
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45n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50235799
PNG
(CHEMBL4096024)
Show SMILES Cl.CCC(C)(C)NCC(O)c1cc(OC(=O)N(C)C)cc(OC(=O)N(C)C)c1
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60n/an/an/an/an/an/an/an/a



South China University of Technology

Curated by ChEMBL




Eur J Med Chem 126: 61-71 (2017)


Article DOI: 10.1016/j.ejmech.2016.08.061
BindingDB Entry DOI: 10.7270/Q2571F8X
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50235801
PNG
(CHEMBL4098455)
Show SMILES Cl.CCN(C)C(=O)Oc1cc(OC(=O)N(C)CC)cc(c1)C(O)CNC(C)(C)CC
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73n/an/an/an/an/an/an/an/a



South China University of Technology

Curated by ChEMBL


Assay Description
Tested for the ability to compete with [125I]-CO13 ([125I]-Y-F-K-A-Cha-G-L-dF-R) for binding to C5a anaphylatoxin chemotactic receptor from human neu...


Eur J Med Chem 126: 61-71 (2017)


Article DOI: 10.1016/j.ejmech.2016.08.061
BindingDB Entry DOI: 10.7270/Q2571F8X
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50235800
PNG
(BAMBUTEROL | Bambuterol | CHEBI:553827)
Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C
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78n/an/an/an/an/an/an/an/a



South China University of Technology

Curated by ChEMBL


Assay Description
Antagonism of batrachotoxin-mediated sodium ion uptake into cultured neuroblastoma cells


Eur J Med Chem 126: 61-71 (2017)


Article DOI: 10.1016/j.ejmech.2016.08.061
BindingDB Entry DOI: 10.7270/Q2571F8X
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50221883
PNG
((S)-6-(1-methylpyrrolidin-2-yl)-quinoline | CHEMBL...)
Show SMILES CN1CCC[C@H]1c1ccc2ncccc2c1
Show InChI InChI=1S/C14H16N2/c1-16-9-3-5-14(16)12-6-7-13-11(10-12)4-2-8-15-13/h2,4,6-8,10,14H,3,5,9H2,1H3/t14-/m0/s1
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90n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50221882
PNG
((R)-1,1-Dimethyl-2-quinolin-6-yl-pyrrolidinium; io...)
Show SMILES C[N+]1(C)CCC[C@@H]1c1ccc2ncccc2c1
Show InChI InChI=1S/C15H19N2/c1-17(2)10-4-6-15(17)13-7-8-14-12(11-13)5-3-9-16-14/h3,5,7-9,11,15H,4,6,10H2,1-2H3/q+1/t15-/m1/s1
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90n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]alpha-bungarotoxin from alpha7 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50221883
PNG
((S)-6-(1-methylpyrrolidin-2-yl)-quinoline | CHEMBL...)
Show SMILES CN1CCC[C@H]1c1ccc2ncccc2c1
Show InChI InChI=1S/C14H16N2/c1-16-9-3-5-14(16)12-6-7-13-11(10-12)4-2-8-15-13/h2,4,6-8,10,14H,3,5,9H2,1H3/t14-/m0/s1
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124n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50221884
PNG
(CHEMBL243666 | rac-6-(1-methylpyrrolidin-2-yl)quin...)
Show SMILES CN1CCCC1c1ccc2ncccc2c1 |w:5.6|
Show InChI InChI=1S/C14H16N2/c1-16-9-3-5-14(16)12-6-7-13-11(10-12)4-2-8-15-13/h2,4,6-8,10,14H,3,5,9H2,1H3
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132n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50221888
PNG
(CHEMBL390227 | trimethyl-(4-quinolin-6-yl-but-3-yn...)
Show SMILES C[N+](C)(C)CCC#Cc1ccc2ncccc2c1
Show InChI InChI=1S/C16H19N2/c1-18(2,3)12-5-4-7-14-9-10-16-15(13-14)8-6-11-17-16/h6,8-11,13H,5,12H2,1-3H3/q+1
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142n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]alpha-bungarotoxin from alpha7 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50221882
PNG
((R)-1,1-Dimethyl-2-quinolin-6-yl-pyrrolidinium; io...)
Show SMILES C[N+]1(C)CCC[C@@H]1c1ccc2ncccc2c1
Show InChI InChI=1S/C15H19N2/c1-17(2)10-4-6-15(17)13-7-8-14-12(11-13)5-3-9-16-14/h3,5,7-9,11,15H,4,6,10H2,1-2H3/q+1/t15-/m1/s1
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220n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
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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450n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]alpha-bungarotoxin from alpha7 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50221882
PNG
((R)-1,1-Dimethyl-2-quinolin-6-yl-pyrrolidinium; io...)
Show SMILES C[N+]1(C)CCC[C@@H]1c1ccc2ncccc2c1
Show InChI InChI=1S/C15H19N2/c1-17(2)10-4-6-15(17)13-7-8-14-12(11-13)5-3-9-16-14/h3,5,7-9,11,15H,4,6,10H2,1-2H3/q+1/t15-/m1/s1
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1.40E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50221885
PNG
((S)-1,1-Dimethyl-2-quinolin-6-yl-pyrrolidinium; io...)
Show SMILES C[N+]1(C)CCC[C@H]1c1ccc2ncccc2c1
Show InChI InChI=1S/C15H19N2/c1-17(2)10-4-6-15(17)13-7-8-14-12(11-13)5-3-9-16-14/h3,5,7-9,11,15H,4,6,10H2,1-2H3/q+1/t15-/m0/s1
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1.57E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]alpha-bungarotoxin from alpha7 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50221886
PNG
((R)-6-(1-methyl-pyrrolidin-2-yl)-quinoline | CHEMB...)
Show SMILES CN1CCC[C@@H]1c1ccc2ncccc2c1
Show InChI InChI=1S/C14H16N2/c1-16-9-3-5-14(16)12-6-7-13-11(10-12)4-2-8-15-13/h2,4,6-8,10,14H,3,5,9H2,1H3/t14-/m1/s1
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1.95E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50221886
PNG
((R)-6-(1-methyl-pyrrolidin-2-yl)-quinoline | CHEMB...)
Show SMILES CN1CCC[C@@H]1c1ccc2ncccc2c1
Show InChI InChI=1S/C14H16N2/c1-16-9-3-5-14(16)12-6-7-13-11(10-12)4-2-8-15-13/h2,4,6-8,10,14H,3,5,9H2,1H3/t14-/m1/s1
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2.10E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50221888
PNG
(CHEMBL390227 | trimethyl-(4-quinolin-6-yl-but-3-yn...)
Show SMILES C[N+](C)(C)CCC#Cc1ccc2ncccc2c1
Show InChI InChI=1S/C16H19N2/c1-18(2,3)12-5-4-7-14-9-10-16-15(13-14)8-6-11-17-16/h6,8-11,13H,5,12H2,1-3H3/q+1
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6.80E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50221886
PNG
((R)-6-(1-methyl-pyrrolidin-2-yl)-quinoline | CHEMB...)
Show SMILES CN1CCC[C@@H]1c1ccc2ncccc2c1
Show InChI InChI=1S/C14H16N2/c1-16-9-3-5-14(16)12-6-7-13-11(10-12)4-2-8-15-13/h2,4,6-8,10,14H,3,5,9H2,1H3/t14-/m1/s1
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8.10E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]alpha-bungarotoxin from alpha7 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50221883
PNG
((S)-6-(1-methylpyrrolidin-2-yl)-quinoline | CHEMBL...)
Show SMILES CN1CCC[C@H]1c1ccc2ncccc2c1
Show InChI InChI=1S/C14H16N2/c1-16-9-3-5-14(16)12-6-7-13-11(10-12)4-2-8-15-13/h2,4,6-8,10,14H,3,5,9H2,1H3/t14-/m0/s1
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4.20E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]alpha-bungarotoxin from alpha7 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50235800
PNG
(BAMBUTEROL | Bambuterol | CHEBI:553827)
Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C
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n/an/a 3n/an/an/an/an/an/a



South China University of Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E


Eur J Med Chem 126: 61-71 (2017)


Article DOI: 10.1016/j.ejmech.2016.08.061
BindingDB Entry DOI: 10.7270/Q2571F8X
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50235800
PNG
(BAMBUTEROL | Bambuterol | CHEBI:553827)
Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C
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n/an/a 3n/an/an/an/an/an/a



South China University of Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E


Eur J Med Chem 126: 61-71 (2017)


Article DOI: 10.1016/j.ejmech.2016.08.061
BindingDB Entry DOI: 10.7270/Q2571F8X
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50235800
PNG
(BAMBUTEROL | Bambuterol | CHEBI:553827)
Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C
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n/an/a 4.30n/an/an/an/an/an/a



South China University of Technology

Curated by ChEMBL




Eur J Med Chem 126: 61-71 (2017)


Article DOI: 10.1016/j.ejmech.2016.08.061
BindingDB Entry DOI: 10.7270/Q2571F8X
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50235801
PNG
(CHEMBL4098455)
Show SMILES Cl.CCN(C)C(=O)Oc1cc(OC(=O)N(C)CC)cc(c1)C(O)CNC(C)(C)CC
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n/an/a 7.10n/an/an/an/an/an/a



South China University of Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E


Eur J Med Chem 126: 61-71 (2017)


Article DOI: 10.1016/j.ejmech.2016.08.061
BindingDB Entry DOI: 10.7270/Q2571F8X
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50235799
PNG
(CHEMBL4096024)
Show SMILES Cl.CCC(C)(C)NCC(O)c1cc(OC(=O)N(C)C)cc(OC(=O)N(C)C)c1
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n/an/a 7.30n/an/an/an/an/an/a



South China University of Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E


Eur J Med Chem 126: 61-71 (2017)


Article DOI: 10.1016/j.ejmech.2016.08.061
BindingDB Entry DOI: 10.7270/Q2571F8X
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50235808
PNG
(CHEMBL4060055)
Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CN1CCCCC1
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n/an/a 100n/an/an/an/an/an/a



South China University of Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E


Eur J Med Chem 126: 61-71 (2017)


Article DOI: 10.1016/j.ejmech.2016.08.061
BindingDB Entry DOI: 10.7270/Q2571F8X
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50235805
PNG
(CHEMBL4100415)
Show SMILES Cl.CCN(C)C(=O)Oc1cc(OC(=O)N(C)CC)cc(c1)C(O)CN1CCCCC1
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n/an/a 108n/an/an/an/an/an/a



South China University of Technology

Curated by ChEMBL


Assay Description
Tested for its ability to compete with [125I]C5a for binding to C5a anaphylatoxin chemotactic receptor of human neutrophil membrane preparations


Eur J Med Chem 126: 61-71 (2017)


Article DOI: 10.1016/j.ejmech.2016.08.061
BindingDB Entry DOI: 10.7270/Q2571F8X
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50235810
PNG
(CHEMBL4087355)
Show SMILES Cl.CCN(C)C(=O)Oc1cc(OC(=O)N(C)CC)cc(c1)C(O)CNC(C)(C)C
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n/an/a 113n/an/an/an/an/an/a



South China University of Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E


Eur J Med Chem 126: 61-71 (2017)


Article DOI: 10.1016/j.ejmech.2016.08.061
BindingDB Entry DOI: 10.7270/Q2571F8X
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50235801
PNG
(CHEMBL4098455)
Show SMILES Cl.CCN(C)C(=O)Oc1cc(OC(=O)N(C)CC)cc(c1)C(O)CNC(C)(C)CC
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n/an/a 116n/an/an/an/an/an/a



South China University of Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E


Eur J Med Chem 126: 61-71 (2017)


Article DOI: 10.1016/j.ejmech.2016.08.061
BindingDB Entry DOI: 10.7270/Q2571F8X
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50235800
PNG
(BAMBUTEROL | Bambuterol | CHEBI:553827)
Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C
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n/an/a 119n/an/an/an/an/an/a



South China University of Technology

Curated by ChEMBL




Eur J Med Chem 126: 61-71 (2017)


Article DOI: 10.1016/j.ejmech.2016.08.061
BindingDB Entry DOI: 10.7270/Q2571F8X
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50235799
PNG
(CHEMBL4096024)
Show SMILES Cl.CCC(C)(C)NCC(O)c1cc(OC(=O)N(C)C)cc(OC(=O)N(C)C)c1
PDB

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n/an/a 126n/an/an/an/an/an/a



South China University of Technology

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit the neurotransmitter serotonin-5-HT reuptake system using [3H]5-HT as radioligand


Eur J Med Chem 126: 61-71 (2017)


Article DOI: 10.1016/j.ejmech.2016.08.061
BindingDB Entry DOI: 10.7270/Q2571F8X
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50235811
PNG
(CHEMBL4103773)
Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC1CCCC1
PDB

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n/an/a 130n/an/an/an/an/an/a



South China University of Technology

Curated by ChEMBL




Eur J Med Chem 126: 61-71 (2017)


Article DOI: 10.1016/j.ejmech.2016.08.061
BindingDB Entry DOI: 10.7270/Q2571F8X
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50235806
PNG
(CHEMBL4068709)
Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC1CCCCC1
PDB

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n/an/a 224n/an/an/an/an/an/a



South China University of Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E


Eur J Med Chem 126: 61-71 (2017)


Article DOI: 10.1016/j.ejmech.2016.08.061
BindingDB Entry DOI: 10.7270/Q2571F8X
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50235809
PNG
(CHEMBL4080437)
Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CN1CCCC1
PDB

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n/an/a 253n/an/an/an/an/an/a



South China University of Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E


Eur J Med Chem 126: 61-71 (2017)


Article DOI: 10.1016/j.ejmech.2016.08.061
BindingDB Entry DOI: 10.7270/Q2571F8X
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50235798
PNG
(CHEMBL4079521)
Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)c1ccccc1
PDB

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n/an/a 476n/an/an/an/an/an/a



South China University of Technology

Curated by ChEMBL


Assay Description
Norepinephrine transporter activity was determined by the ability of compound to inhibit the neurotransmitter norepinephrine-NE reuptake system using...


Eur J Med Chem 126: 61-71 (2017)


Article DOI: 10.1016/j.ejmech.2016.08.061
BindingDB Entry DOI: 10.7270/Q2571F8X
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50235804
PNG
(CHEMBL4087400)
Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNc1cccc(c1)C#C
PDB

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n/an/a 686n/an/an/an/an/an/a



South China University of Technology

Curated by ChEMBL




Eur J Med Chem 126: 61-71 (2017)


Article DOI: 10.1016/j.ejmech.2016.08.061
BindingDB Entry DOI: 10.7270/Q2571F8X
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50235802
PNG
(CHEMBL4104228)
Show SMILES Cl.CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C#N
PDB

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n/an/a 1.13E+3n/an/an/an/an/an/a



South China University of Technology

Curated by ChEMBL


Assay Description
Tested for its ability to compete with [125I]C5a for binding to C5a anaphylatoxin chemotactic receptor of human neutrophil membrane preparations


Eur J Med Chem 126: 61-71 (2017)


Article DOI: 10.1016/j.ejmech.2016.08.061
BindingDB Entry DOI: 10.7270/Q2571F8X
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50235803
PNG
(CHEMBL4065998)
Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNc1ccccc1
PDB

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n/an/a 2.40E+3n/an/an/an/an/an/a



South China University of Technology

Curated by ChEMBL


Assay Description
Tested for the ability to compete with [125I]-CO13 ([125I]-Y-F-K-A-Cha-G-L-dF-R) for binding to C5a anaphylatoxin chemotactic receptor from human neu...


Eur J Med Chem 126: 61-71 (2017)


Article DOI: 10.1016/j.ejmech.2016.08.061
BindingDB Entry DOI: 10.7270/Q2571F8X
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50235807
PNG
(CHEMBL4088289)
Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNc1ccc(I)cc1
PDB

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n/an/a 4.70E+3n/an/an/an/an/an/a



South China University of Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E


Eur J Med Chem 126: 61-71 (2017)


Article DOI: 10.1016/j.ejmech.2016.08.061
BindingDB Entry DOI: 10.7270/Q2571F8X
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50235800
PNG
(BAMBUTEROL | Bambuterol | CHEBI:553827)
Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C
PDB
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n/an/a>1.00E+4n/an/an/an/an/an/a



South China University of Technology

Curated by ChEMBL




Eur J Med Chem 126: 61-71 (2017)


Article DOI: 10.1016/j.ejmech.2016.08.061
BindingDB Entry DOI: 10.7270/Q2571F8X
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50235801
PNG
(CHEMBL4098455)
Show SMILES Cl.CCN(C)C(=O)Oc1cc(OC(=O)N(C)CC)cc(c1)C(O)CNC(C)(C)CC
PDB
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n/an/a>1.00E+4n/an/an/an/an/an/a



South China University of Technology

Curated by ChEMBL




Eur J Med Chem 126: 61-71 (2017)


Article DOI: 10.1016/j.ejmech.2016.08.061
BindingDB Entry DOI: 10.7270/Q2571F8X
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50235799
PNG
(CHEMBL4096024)
Show SMILES Cl.CCC(C)(C)NCC(O)c1cc(OC(=O)N(C)C)cc(OC(=O)N(C)C)c1
PDB
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n/an/a>1.00E+4n/an/an/an/an/an/a



South China University of Technology

Curated by ChEMBL


Assay Description
Tested for its ability to compete with [125I]C5a for binding to C5a anaphylatoxin chemotactic receptor of human neutrophil membrane preparations


Eur J Med Chem 126: 61-71 (2017)


Article DOI: 10.1016/j.ejmech.2016.08.061
BindingDB Entry DOI: 10.7270/Q2571F8X
More data for this
Ligand-Target Pair
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