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Compile Data Set for Download or QSAR

Found 470 hits with Last Name = 'de amici' 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
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.0350n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from alpha4beta2 nAChR in rat cortical membrane


Bioorg Med Chem Lett 18: 4651-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.016
BindingDB Entry DOI: 10.7270/Q20C4VKW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50119791
PNG
(1-Decyl-3-((S)-1-methyl-pyrrolidin-2-yl)-pyridiniu...)
Show SMILES CCCCCCCCCC[n+]1cccc(c1)[C@@H]1CCCN1C
Show InChI InChI=1S/C20H35N2/c1-3-4-5-6-7-8-9-10-16-22-17-11-13-19(18-22)20-14-12-15-21(20)2/h11,13,17-18,20H,3-10,12,14-16H2,1-2H3/q+1/t20-/m0/s1
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0.0900n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity to alpha4beta2 nAChR (unknown origin)


Eur J Med Chem 101: 367-83 (2015)


BindingDB Entry DOI: 10.7270/Q25M67H8
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50143302
PNG
((S)-1-dodecyl-3-(1-methylpyrrolidin-2-yl)pyridiniu...)
Show SMILES CCCCCCCCCCCC[n+]1cccc(c1)[C@@H]1CCCN1C
Show InChI InChI=1S/C22H39N2/c1-3-4-5-6-7-8-9-10-11-12-18-24-19-13-15-21(20-24)22-16-14-17-23(22)2/h13,15,19-20,22H,3-12,14,16-18H2,1-2H3/q+1/t22-/m0/s1
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0.140n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity to alpha4beta2 nAChR (unknown origin)


Eur J Med Chem 101: 367-83 (2015)


BindingDB Entry DOI: 10.7270/Q25M67H8
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50135594
PNG
((+/-)-2-(6-chloropyridin-3-yl)-9-aza-bicyclo[4.2.1...)
Show SMILES Clc1ccc(cn1)C1=CCCC2CCC1N2 |t:8,THB:4:7:12.13:15|
Show InChI InChI=1S/C13H15ClN2/c14-13-7-4-9(8-15-13)11-3-1-2-10-5-6-12(11)16-10/h3-4,7-8,10,12,16H,1-2,5-6H2
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0.270n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from alpha4beta2 nAChR in rat brain membrane


Bioorg Med Chem Lett 18: 4651-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.016
BindingDB Entry DOI: 10.7270/Q20C4VKW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50261762
PNG
((+/-)-exo-2-(3-methylisoxazol-5-yl)-7-aza-bicyclo[...)
Show SMILES Cc1cc(on1)[C@H]1C[C@H]2CC[C@H]1N2 |r,THB:3:6:9.10:12|
Show InChI InChI=1S/C10H14N2O/c1-6-4-10(13-12-6)8-5-7-2-3-9(8)11-7/h4,7-9,11H,2-3,5H2,1H3/t7-,8+,9-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortical membrane


Bioorg Med Chem Lett 18: 4651-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.016
BindingDB Entry DOI: 10.7270/Q20C4VKW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM50261762
PNG
((+/-)-exo-2-(3-methylisoxazol-5-yl)-7-aza-bicyclo[...)
Show SMILES Cc1cc(on1)[C@H]1C[C@H]2CC[C@H]1N2 |r,THB:3:6:9.10:12|
Show InChI InChI=1S/C10H14N2O/c1-6-4-10(13-12-6)8-5-7-2-3-9(8)11-7/h4,7-9,11H,2-3,5H2,1H3/t7-,8+,9-/m1/s1
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0.460n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity to alpha4beta2 nAChR (unknown origin)


Bioorg Med Chem Lett 18: 4651-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.016
BindingDB Entry DOI: 10.7270/Q20C4VKW
More data for this
Ligand-Target Pair
CHRM5


(Homo sapiens (Human))
BDBM86292
PNG
(2-[4-(2-Methyl-1H-imidazol-1-yl)-2-butynyl]isoxazo...)
Show SMILES Cc1nccn1CC#CCN1OCCC1=O
Show InChI InChI=1S/C11H13N3O2/c1-10-12-5-8-13(10)6-2-3-7-14-11(15)4-9-16-14/h5,8H,4,6-7,9H2,1H3
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0.510n/an/an/an/an/an/an/an/a



Universit&aagrove; di Milano

Curated by PDSP Ki Database




Farmaco 58: 739-48 (2003)


Article DOI: 10.1016/S0014-827X(03)00113-7
BindingDB Entry DOI: 10.7270/Q21G0JVK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50261762
PNG
((+/-)-exo-2-(3-methylisoxazol-5-yl)-7-aza-bicyclo[...)
Show SMILES Cc1cc(on1)[C@H]1C[C@H]2CC[C@H]1N2 |r,THB:3:6:9.10:12|
Show InChI InChI=1S/C10H14N2O/c1-6-4-10(13-12-6)8-5-7-2-3-9(8)11-7/h4,7-9,11H,2-3,5H2,1H3/t7-,8+,9-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from alpha4beta2 nAChR in rat cerebral membrane


Bioorg Med Chem Lett 18: 4651-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.016
BindingDB Entry DOI: 10.7270/Q20C4VKW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50176065
PNG
(4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...)
Show SMILES C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1
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0.680n/an/an/an/an/an/an/an/a



Universit&aagrove; di Milano

Curated by PDSP Ki Database




Farmaco 58: 739-48 (2003)


Article DOI: 10.1016/S0014-827X(03)00113-7
BindingDB Entry DOI: 10.7270/Q21G0JVK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50176065
PNG
(4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...)
Show SMILES C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1
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0.680n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM50261762
PNG
((+/-)-exo-2-(3-methylisoxazol-5-yl)-7-aza-bicyclo[...)
Show SMILES Cc1cc(on1)[C@H]1C[C@H]2CC[C@H]1N2 |r,THB:3:6:9.10:12|
Show InChI InChI=1S/C10H14N2O/c1-6-4-10(13-12-6)8-5-7-2-3-9(8)11-7/h4,7-9,11H,2-3,5H2,1H3/t7-,8+,9-/m1/s1
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1.33n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 4651-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.016
BindingDB Entry DOI: 10.7270/Q20C4VKW
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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2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortical membranes by beta counting


Eur J Med Chem 45: 5594-601 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.009
BindingDB Entry DOI: 10.7270/Q2BC3ZSJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM86290
PNG
(3-[4-(2-Methyl-1H-imidazol-1-yl)-2-butynyl]oxy-del...)
Show SMILES Cc1nccn1CC#CCOC1=NOCC1 |t:12|
Show InChI InChI=1S/C11H13N3O2/c1-10-12-5-7-14(10)6-2-3-8-15-11-4-9-16-13-11/h5,7H,4,6,8-9H2,1H3
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2.51n/an/an/an/an/an/an/an/a



Universit&aagrove; di Milano

Curated by PDSP Ki Database




Farmaco 58: 739-48 (2003)


Article DOI: 10.1016/S0014-827X(03)00113-7
BindingDB Entry DOI: 10.7270/Q21G0JVK
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50005118
PNG
((S)-3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC
Show InChI InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from dopamine D2 receptor in Sprague-Dawley rat striatal membranes after 30 mins


Eur J Med Chem 101: 367-83 (2015)


BindingDB Entry DOI: 10.7270/Q25M67H8
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50205510
PNG
((S,R)-(-)-ethyl {4-[2-{[2-(3-bromoisoxazol-5-yl)-2...)
Show SMILES CCOC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(Br)no2)cc1
Show InChI InChI=1S/C18H23BrN2O5/c1-3-24-18(23)11-25-14-6-4-13(5-7-14)8-12(2)20-10-15(22)16-9-17(19)21-26-16/h4-7,9,12,15,20,22H,3,8,10-11H2,1-2H3/t12-,15+/m1/s1
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2.80n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]CYP from human adrenergic beta 2 receptor transfected in CHO cells in presence of 100 uM GTP


Bioorg Med Chem 15: 2533-43 (2007)


Article DOI: 10.1016/j.bmc.2007.01.056
BindingDB Entry DOI: 10.7270/Q2765F04
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50116299
PNG
(CHEMBL3612360)
Show SMILES [Br-].CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCNCC2CCc3ccc(O)cc3O2)c1 |r|
Show InChI InChI=1/C30H45N3O2.BrH/c1-32-19-11-13-29(32)26-12-10-21-33(24-26)20-9-7-5-3-2-4-6-8-18-31-23-28-17-15-25-14-16-27(34)22-30(25)35-28;/h10,12,14,16,21-22,24,28-29,31H,2-9,11,13,15,17-20,23H2,1H3;1H/t28?,29-;/s2
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3.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 30 mins


Eur J Med Chem 101: 367-83 (2015)


BindingDB Entry DOI: 10.7270/Q25M67H8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM82371
PNG
(CAS_1508-75-4 | NSC_5593 | TROPICAMIDE)
Show SMILES CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3
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3.47n/an/an/an/an/an/an/an/a



Universit&aagrove; di Milano

Curated by PDSP Ki Database




Farmaco 58: 739-48 (2003)


Article DOI: 10.1016/S0014-827X(03)00113-7
BindingDB Entry DOI: 10.7270/Q21G0JVK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM86290
PNG
(3-[4-(2-Methyl-1H-imidazol-1-yl)-2-butynyl]oxy-del...)
Show SMILES Cc1nccn1CC#CCOC1=NOCC1 |t:12|
Show InChI InChI=1S/C11H13N3O2/c1-10-12-5-7-14(10)6-2-3-8-15-11-4-9-16-13-11/h5,7H,4,6,8-9H2,1H3
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3.63n/an/an/an/an/an/an/an/a



Universit&aagrove; di Milano

Curated by PDSP Ki Database




Farmaco 58: 739-48 (2003)


Article DOI: 10.1016/S0014-827X(03)00113-7
BindingDB Entry DOI: 10.7270/Q21G0JVK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Homo sapiens (Human))
BDBM50140291
PNG
(CHEMBL3758455)
Show SMILES Ic1cccc(c1)C1=NCCCC1 |t:8|
Show InChI InChI=1S/C11H12IN/c12-10-5-3-4-9(8-10)11-6-1-2-7-13-11/h3-5,8H,1-2,6-7H2
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4.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from human alpha3beta4 nACh receptor expressed in HEK293 cells preincubated for 5 mins followed by radioligand addit...


Eur J Med Chem 108: 392-405 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2ZCH
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50261762
PNG
((+/-)-exo-2-(3-methylisoxazol-5-yl)-7-aza-bicyclo[...)
Show SMILES Cc1cc(on1)[C@H]1C[C@H]2CC[C@H]1N2 |r,THB:3:6:9.10:12|
Show InChI InChI=1S/C10H14N2O/c1-6-4-10(13-12-6)8-5-7-2-3-9(8)11-7/h4,7-9,11H,2-3,5H2,1H3/t7-,8+,9-/m1/s1
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6n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in rat cortical membrane


Bioorg Med Chem Lett 18: 4651-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.016
BindingDB Entry DOI: 10.7270/Q20C4VKW
More data for this
Ligand-Target Pair
CHRM5


(Homo sapiens (Human))
BDBM86290
PNG
(3-[4-(2-Methyl-1H-imidazol-1-yl)-2-butynyl]oxy-del...)
Show SMILES Cc1nccn1CC#CCOC1=NOCC1 |t:12|
Show InChI InChI=1S/C11H13N3O2/c1-10-12-5-7-14(10)6-2-3-8-15-11-4-9-16-13-11/h5,7H,4,6,8-9H2,1H3
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6.17n/an/an/an/an/an/an/an/a



Universit&aagrove; di Milano

Curated by PDSP Ki Database




Farmaco 58: 739-48 (2003)


Article DOI: 10.1016/S0014-827X(03)00113-7
BindingDB Entry DOI: 10.7270/Q21G0JVK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM86294
PNG
(3-[4-(2,3-Dimethyl-1H-imidazolium-1-yl)-2-butynyl]...)
Show SMILES Cc1n(CC#CCOC2=NOCC2)cc[n+]1C |t:8|
Show InChI InChI=1S/C12H16N3O2/c1-11-14(2)7-8-15(11)6-3-4-9-16-12-5-10-17-13-12/h7-8H,5-6,9-10H2,1-2H3/q+1
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6.31n/an/an/an/an/an/an/an/a



Universit&aagrove; di Milano

Curated by PDSP Ki Database




Farmaco 58: 739-48 (2003)


Article DOI: 10.1016/S0014-827X(03)00113-7
BindingDB Entry DOI: 10.7270/Q21G0JVK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM50261766
PNG
((+/-)-exo-(1R,2R,4R)-2-(6-chloropyridin-3-yl)-7-az...)
Show SMILES Clc1ccc(cn1)[C@H]1C[C@H]2CC[C@H]1N2 |r,THB:4:7:10.11:13|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9-,10-/m1/s1
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7.60n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity to alpha4beta2 nAChR (unknown origin)


Bioorg Med Chem Lett 18: 4651-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.016
BindingDB Entry DOI: 10.7270/Q20C4VKW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50116300
PNG
(CHEMBL3612361)
Show SMILES [Br-].CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCCNCC2CCc3ccc(O)cc3O2)c1 |r|
Show InChI InChI=1/C32H49N3O2.BrH/c1-34-21-13-15-31(34)28-14-12-23-35(26-28)22-11-9-7-5-3-2-4-6-8-10-20-33-25-30-19-17-27-16-18-29(36)24-32(27)37-30;/h12,14,16,18,23-24,26,30-31,33H,2-11,13,15,17,19-22,25H2,1H3;1H/t30?,31-;/s2
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9.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 30 mins


Eur J Med Chem 101: 367-83 (2015)


BindingDB Entry DOI: 10.7270/Q25M67H8
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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10.2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-Bungarotoxin from alpha7 nAChR in rat cortical membrane


Bioorg Med Chem 18: 4498-508 (2010)


Article DOI: 10.1016/j.bmc.2010.04.065
BindingDB Entry DOI: 10.7270/Q27M08XD
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50371194
PNG
(CHEMBL1256938)
Show SMILES COc1ccccc1NCCCCCCNCCCCCCCCNCCCCCCNc1ccccc1OC
Show InChI InChI=1S/C34H58N4O2/c1-39-33-23-13-11-21-31(33)37-29-19-9-7-17-27-35-25-15-5-3-4-6-16-26-36-28-18-8-10-20-30-38-32-22-12-14-24-34(32)40-2/h11-14,21-24,35-38H,3-10,15-20,25-30H2,1-2H3
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10.4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M2 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50140291
PNG
(CHEMBL3758455)
Show SMILES Ic1cccc(c1)C1=NCCCC1 |t:8|
Show InChI InChI=1S/C11H12IN/c12-10-5-3-4-9(8-10)11-6-1-2-7-13-11/h3-5,8H,1-2,6-7H2
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11n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I] alpha bungarotoxin from rat alpha7 nACh receptor expressed in rat hippocampal membrane preincubated for 30 mins followed by ra...


Eur J Med Chem 108: 392-405 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2ZCH
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50358019
PNG
(CHEMBL1917546)
Show SMILES BrC1=NOC2(C1)C[NH+]1CCC2CC1 |t:1,(-.22,2.73,;-1.69,2.25,;-2.93,3.16,;-4.18,2.25,;-3.7,.79,;-2.16,.79,;-3.7,-.75,;-5.03,-1.52,;-6.36,-.75,;-6.36,.79,;-5.03,1.56,;-5.82,.23,;-4.28,-.18,)|
Show InChI InChI=1S/C9H13BrN2O/c10-8-5-9(13-11-8)6-12-3-1-7(9)2-4-12/h7H,1-6H2/p+1
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13.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in rat cortical membranes by gamma counting


Eur J Med Chem 46: 5790-9 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.028
BindingDB Entry DOI: 10.7270/Q2QN676J
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50116299
PNG
(CHEMBL3612360)
Show SMILES [Br-].CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCNCC2CCc3ccc(O)cc3O2)c1 |r|
Show InChI InChI=1/C30H45N3O2.BrH/c1-32-19-11-13-29(32)26-12-10-21-33(24-26)20-9-7-5-3-2-4-6-8-18-31-23-28-17-15-25-14-16-27(34)22-30(25)35-28;/h10,12,14,16,21-22,24,28-29,31H,2-9,11,13,15,17-20,23H2,1H3;1H/t28?,29-;/s2
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14n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from dopamine D2 receptor in Sprague-Dawley rat striatal membranes after 30 mins


Eur J Med Chem 101: 367-83 (2015)


BindingDB Entry DOI: 10.7270/Q25M67H8
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50205507
PNG
((S,R)-(-)-{4-[2-{[2-(3-bromoisoxazol-5-yl)-2-hydro...)
Show SMILES C[C@H](Cc1ccc(OCC(O)=O)cc1)NC[C@H](O)c1cc(Br)no1
Show InChI InChI=1S/C16H19BrN2O5/c1-10(18-8-13(20)14-7-15(17)19-24-14)6-11-2-4-12(5-3-11)23-9-16(21)22/h2-5,7,10,13,18,20H,6,8-9H2,1H3,(H,21,22)/t10-,13+/m1/s1
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14n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]CYP from human adrenergic beta 2 receptor transfected in CHO cells in presence of 100 uM GTP


Bioorg Med Chem 15: 2533-43 (2007)


Article DOI: 10.1016/j.bmc.2007.01.056
BindingDB Entry DOI: 10.7270/Q2765F04
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50358020
PNG
(CHEMBL1917547)
Show SMILES COC1=NOC2(C1)C[NH+]1CCC2CC1 |t:2,(16.18,3.94,;15.86,2.43,;14.39,1.96,;13.15,2.87,;11.9,1.96,;12.38,.5,;13.92,.5,;12.37,-1.04,;11.04,-1.8,;9.71,-1.04,;9.71,.5,;11.04,1.28,;10.26,-.05,;11.8,-.47,)|
Show InChI InChI=1S/C10H16N2O2/c1-13-9-6-10(14-11-9)7-12-4-2-8(10)3-5-12/h8H,2-7H2,1H3/p+1
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14.2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in rat cortical membranes by gamma counting


Eur J Med Chem 46: 5790-9 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.028
BindingDB Entry DOI: 10.7270/Q2QN676J
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50205506
PNG
((S,R)-(-)-1-(3-bromoisoxazol-5-yl)-2-{[2-(4-butoxy...)
Show SMILES CCCCOc1ccc(C[C@@H](C)NC[C@H](O)c2cc(Br)no2)cc1
Show InChI InChI=1S/C18H25BrN2O3/c1-3-4-9-23-15-7-5-14(6-8-15)10-13(2)20-12-16(22)17-11-18(19)21-24-17/h5-8,11,13,16,20,22H,3-4,9-10,12H2,1-2H3/t13-,16+/m1/s1
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16n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]CYP from human adrenergic beta 2 receptor transfected in CHO cells in presence of 100 uM GTP


Bioorg Med Chem 15: 2533-43 (2007)


Article DOI: 10.1016/j.bmc.2007.01.056
BindingDB Entry DOI: 10.7270/Q2765F04
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50116199
PNG
(CHEMBL3612359)
Show SMILES [Br-].CN1CCC[C@H]1c1ccc[n+](CCCCCCNCC2CCc3ccc(O)cc3O2)c1 |r|
Show InChI InChI=1/C26H37N3O2.BrH/c1-28-15-7-9-25(28)22-8-6-17-29(20-22)16-5-3-2-4-14-27-19-24-13-11-21-10-12-23(30)18-26(21)31-24;/h6,8,10,12,17-18,20,24-25,27H,2-5,7,9,11,13-16,19H2,1H3;1H/t24?,25-;/s2
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16n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 30 mins


Eur J Med Chem 101: 367-83 (2015)


BindingDB Entry DOI: 10.7270/Q25M67H8
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50143314
PNG
((+)-Epibatidine | (-)-epibatidine | (1R,2R,4S)-2-(...)
Show SMILES Clc1ccc(cn1)[C@H]1C[C@@H]2CC[C@H]1N2 |THB:4:7:13:11.10|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m0/s1
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16n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I] alpha bungarotoxin from rat alpha7 nACh receptor expressed in rat hippocampal membrane preincubated for 30 mins followed by ra...


Eur J Med Chem 108: 392-405 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2ZCH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM86293
PNG
(3-[4-(2-Methyl-3-(4-bromobenzyl)-1H-imidazolium-1-...)
Show SMILES Cc1n(CC#CCOc2ccon2)cc[n+]1-c1ccc(Br)cc1
Show InChI InChI=1S/C17H15BrN3O2/c1-14-20(9-2-3-12-22-17-8-13-23-19-17)10-11-21(14)16-6-4-15(18)5-7-16/h4-8,10-11,13H,9,12H2,1H3/q+1
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17.0n/an/an/an/an/an/an/an/a



Universit&aagrove; di Milano

Curated by PDSP Ki Database




Farmaco 58: 739-48 (2003)


Article DOI: 10.1016/S0014-827X(03)00113-7
BindingDB Entry DOI: 10.7270/Q21G0JVK
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50061679
PNG
(2-Hexylaminomethyl-chroman-7-ol; oxalic acid | CHE...)
Show SMILES CCCCCCNCC1CCc2ccc(O)cc2O1
Show InChI InChI=1S/C16H25NO2/c1-2-3-4-5-10-17-12-15-9-7-13-6-8-14(18)11-16(13)19-15/h6,8,11,15,17-18H,2-5,7,9-10,12H2,1H3
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17n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from dopamine D2 receptor in Sprague-Dawley rat striatal membranes after 30 mins


Eur J Med Chem 101: 367-83 (2015)


BindingDB Entry DOI: 10.7270/Q25M67H8
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50035398
PNG
((S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-pyrrolidin...)
Show SMILES CN1CCC[C@H]1c1cc(C)no1 |r|
Show InChI InChI=1S/C9H14N2O/c1-7-6-9(12-10-7)8-4-3-5-11(8)2/h6,8H,3-5H2,1-2H3/t8-/m0/s1
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20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortical membranes by beta counting


Eur J Med Chem 45: 5594-601 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.009
BindingDB Entry DOI: 10.7270/Q2BC3ZSJ
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50116300
PNG
(CHEMBL3612361)
Show SMILES [Br-].CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCCNCC2CCc3ccc(O)cc3O2)c1 |r|
Show InChI InChI=1/C32H49N3O2.BrH/c1-34-21-13-15-31(34)28-14-12-23-35(26-28)22-11-9-7-5-3-2-4-6-8-10-20-33-25-30-19-17-27-16-18-29(36)24-32(27)37-30;/h12,14,16,18,23-24,26,30-31,33H,2-11,13,15,17,19-22,25H2,1H3;1H/t30?,31-;/s2
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20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from dopamine D2 receptor in Sprague-Dawley rat striatal membranes after 30 mins


Eur J Med Chem 101: 367-83 (2015)


BindingDB Entry DOI: 10.7270/Q25M67H8
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50035398
PNG
((S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-pyrrolidin...)
Show SMILES CN1CCC[C@H]1c1cc(C)no1 |r|
Show InChI InChI=1S/C9H14N2O/c1-7-6-9(12-10-7)8-4-3-5-11(8)2/h6,8H,3-5H2,1-2H3/t8-/m0/s1
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20n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortical membrane


Bioorg Med Chem Lett 18: 4651-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.016
BindingDB Entry DOI: 10.7270/Q20C4VKW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
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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21.4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M1 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
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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21.4n/an/an/an/an/an/an/an/a



Universit&aagrove; di Milano

Curated by PDSP Ki Database




Farmaco 58: 739-48 (2003)


Article DOI: 10.1016/S0014-827X(03)00113-7
BindingDB Entry DOI: 10.7270/Q21G0JVK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50143314
PNG
((+)-Epibatidine | (-)-epibatidine | (1R,2R,4S)-2-(...)
Show SMILES Clc1ccc(cn1)[C@H]1C[C@@H]2CC[C@H]1N2 |THB:4:7:13:11.10|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m0/s1
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22n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I] alpha bungarotoxin from human alpha7 nACh receptor incubated for 20 secs


Eur J Med Chem 108: 392-405 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2ZCH
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50205510
PNG
((S,R)-(-)-ethyl {4-[2-{[2-(3-bromoisoxazol-5-yl)-2...)
Show SMILES CCOC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(Br)no2)cc1
Show InChI InChI=1S/C18H23BrN2O5/c1-3-24-18(23)11-25-14-6-4-13(5-7-14)8-12(2)20-10-15(22)16-9-17(19)21-26-16/h4-7,9,12,15,20,22H,3,8,10-11H2,1-2H3/t12-,15+/m1/s1
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23n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]CYP from human adrenergic beta 1 receptor transfected in CHO cells in presence of 100 uM GTP


Bioorg Med Chem 15: 2533-43 (2007)


Article DOI: 10.1016/j.bmc.2007.01.056
BindingDB Entry DOI: 10.7270/Q2765F04
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50358021
PNG
(CHEMBL1917548)
Show SMILES C1C(=NOC11C[NH+]2CCC1CC2)c1ccccc1 |c:1,(30.53,-.08,;31,1.39,;29.76,2.29,;28.51,1.39,;28.99,-.08,;28.99,-1.62,;27.66,-2.38,;26.33,-1.62,;26.33,-.08,;27.66,.7,;26.87,-.63,;28.41,-1.04,;32.34,2.15,;33.67,1.37,;35,2.13,;35.01,3.67,;33.67,4.45,;32.34,3.68,)|
Show InChI InChI=1S/C15H18N2O/c1-2-4-12(5-3-1)14-10-15(18-16-14)11-17-8-6-13(15)7-9-17/h1-5,13H,6-11H2/p+1
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25n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in rat cortical membranes by gamma counting


Eur J Med Chem 46: 5790-9 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.028
BindingDB Entry DOI: 10.7270/Q2QN676J
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Homo sapiens (Human))
BDBM50140289
PNG
(CHEMBL3759225)
Show SMILES Brc1cccc(c1)C1=NCCCC1 |t:8|
Show InChI InChI=1S/C11H12BrN/c12-10-5-3-4-9(8-10)11-6-1-2-7-13-11/h3-5,8H,1-2,6-7H2
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30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from human alpha3beta4 nACh receptor expressed in HEK293 cells preincubated for 5 mins followed by radioligand addit...


Eur J Med Chem 108: 392-405 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2ZCH
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM109773
PNG
(US8609708, 74 Anabaseine)
Show SMILES C1CCC(=NC1)c1cccnc1 |c:3|
Show InChI InChI=1S/C10H12N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8H,1-2,5,7H2
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32n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I] alpha bungarotoxin from rat alpha7 nACh receptor expressed in rat hippocampal membrane preincubated for 30 mins followed by ra...


Eur J Med Chem 108: 392-405 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2ZCH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
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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35.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M5 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
CHRM5


(Homo sapiens (Human))
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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35.5n/an/an/an/an/an/an/an/a



Universit&aagrove; di Milano

Curated by PDSP Ki Database




Farmaco 58: 739-48 (2003)


Article DOI: 10.1016/S0014-827X(03)00113-7
BindingDB Entry DOI: 10.7270/Q21G0JVK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM86290
PNG
(3-[4-(2-Methyl-1H-imidazol-1-yl)-2-butynyl]oxy-del...)
Show SMILES Cc1nccn1CC#CCOC1=NOCC1 |t:12|
Show InChI InChI=1S/C11H13N3O2/c1-10-12-5-7-14(10)6-2-3-8-15-11-4-9-16-13-11/h5,7H,4,6,8-9H2,1H3
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39.8n/an/an/an/an/an/an/an/a



Universit&aagrove; di Milano

Curated by PDSP Ki Database




Farmaco 58: 739-48 (2003)


Article DOI: 10.1016/S0014-827X(03)00113-7
BindingDB Entry DOI: 10.7270/Q21G0JVK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50223174
PNG
(2-(4-Piperidin-1-ylbut-2-yn-1-yl)isoxazolidin-3-on...)
Show SMILES O=C1CCON1CC#CC[NH+]1CCCCC1
Show InChI InChI=1S/C12H18N2O2/c15-12-6-11-16-14(12)10-5-4-9-13-7-2-1-3-8-13/h1-3,6-11H2/p+1
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40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M2 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
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