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Compile Data Set for Download or QSAR

Found 455 hits with Last Name = 'wu' and Initial = 'e'   
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
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)		BDBM50005363
PNG
((3R,4R)3-(3-Methyl-[1,2,4]oxadiazol-5-yl)-1-aza-bi...)
Show SMILES Cc1noc(n1)C1CN2CCC1C2 |TLB:4:6:12:10.9|
Show InChI InChI=1S/C9H13N3O/c1-6-10-9(13-11-6)8-5-12-3-2-7(8)4-12/h7-8H,2-5H2,1H3
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 0.200n/an/an/an/an/an/an/an/a



Astra Arcus USA

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor using [3H]-OXO-M as the radioligand.

J Med Chem 41: 4181-5 (1998)


Article DOI: 10.1021/jm980192x
BindingDB Entry DOI: 10.7270/Q2PV6P3B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)		BDBM50471859
PNG
(CHEMBL334387)
Show SMILES CC[C@@H]1O[C@]2(CN3CCC2C3)CC1=O |TLB:11:4:10:8.7,THB:3:4:10:8.7|
Show InChI InChI=1S/C11H17NO2/c1-2-10-9(13)5-11(14-10)7-12-4-3-8(11)6-12/h8,10H,2-7H2,1H3/t8?,10-,11-/m0/s1
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 0.400n/an/an/an/an/an/an/an/a



Astra Arcus USA

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor using [3H]-OXO-M as the radioligand.

J Med Chem 41: 4181-5 (1998)


Article DOI: 10.1021/jm980192x
BindingDB Entry DOI: 10.7270/Q2PV6P3B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)		BDBM50471858
PNG
(CHEMBL335503)
Show SMILES C[C@@H]1O[C@]2(CN3CCC2C3)CC1=O |TLB:10:3:9:7.6,THB:2:3:9:7.6|
Show InChI InChI=1S/C10H15NO2/c1-7-9(12)4-10(13-7)6-11-3-2-8(10)5-11/h7-8H,2-6H2,1H3/t7-,8?,10-/m0/s1
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 0.800n/an/an/an/an/an/an/an/a



Astra Arcus USA

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor using [3H]-OXO-M as the radioligand.

J Med Chem 41: 4181-5 (1998)


Article DOI: 10.1021/jm980192x
BindingDB Entry DOI: 10.7270/Q2PV6P3B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Brevig Mission/1/1918 ...)		BDBM5024
PNG
((-)-(1S,2S,3R,4R)-3-[(1S)-1-(Acetylamino)-2-ethylb...)
Show SMILES [H][C@](NC(C)=O)(C(CC)CC)[C@@H]1[C@H](O)[C@H](C[C@H]1N=C(N)N)C(O)=O |r|
Show InChI InChI=1S/C15H28N4O4/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19)/t9-,10+,11+,12-,13+/m0/s1
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 0.830n/an/an/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant soluble neuraminidase using 2'-4(methylumbelliferyl)-alpha-D-N-acetylneur...

Bioorg Med Chem Lett 21: 7137-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.076
BindingDB Entry DOI: 10.7270/Q2WW7J4Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)		BDBM50471854
PNG
(CHEMBL337509)
Show SMILES CCC[C@@H]1O[C@]2(CN3CCC2C3)CC1=O |TLB:12:5:11:9.8,THB:4:5:11:9.8|
Show InChI InChI=1S/C12H19NO2/c1-2-3-11-10(14)6-12(15-11)8-13-5-4-9(12)7-13/h9,11H,2-8H2,1H3/t9?,11-,12-/m0/s1
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 2n/an/an/an/an/an/an/an/a



Astra Arcus USA

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor using [3H]-OXO-M as the radioligand.

J Med Chem 41: 4181-5 (1998)


Article DOI: 10.1021/jm980192x
BindingDB Entry DOI: 10.7270/Q2PV6P3B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)		BDBM50471855
PNG
(CHEMBL134860)
Show SMILES CCC[C@H]1O[C@]2(CN3CCC2C3)CC1=O |TLB:12:5:11:9.8,THB:4:5:11:9.8|
Show InChI InChI=1S/C12H19NO2/c1-2-3-11-10(14)6-12(15-11)8-13-5-4-9(12)7-13/h9,11H,2-8H2,1H3/t9?,11-,12+/m1/s1
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 2n/an/an/an/an/an/an/an/a



Astra Arcus USA

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor using [3H]-OXO-M as the radioligand.

J Med Chem 41: 4181-5 (1998)


Article DOI: 10.1021/jm980192x
BindingDB Entry DOI: 10.7270/Q2PV6P3B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(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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 2.30n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Binding affinity in rat forebrain against Nicotinic acetylcholine receptor alpha4-beta2

J Med Chem 43: 4045-50 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T88
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)		BDBM50471860
PNG
(CHEMBL134937)
Show SMILES CC[C@H]1O[C@]2(CN3CCC2C3)CC1=O |TLB:11:4:10:8.7,THB:3:4:10:8.7|
Show InChI InChI=1S/C11H17NO2/c1-2-10-9(13)5-11(14-10)7-12-4-3-8(11)6-12/h8,10H,2-7H2,1H3/t8?,10-,11+/m1/s1
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 3.70n/an/an/an/an/an/an/an/a



Astra Arcus USA

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor using [3H]-OXO-M as the radioligand.

J Med Chem 41: 4181-5 (1998)


Article DOI: 10.1021/jm980192x
BindingDB Entry DOI: 10.7270/Q2PV6P3B
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))		BDBM50227815
PNG
(Flavodilol)
Show SMILES CCCNCC(O)COc1ccc2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C21H23NO4/c1-2-10-22-13-16(23)14-25-17-8-9-18-19(24)12-20(26-21(18)11-17)15-6-4-3-5-7-15/h3-9,11-12,16,22-23H,2,10,13-14H2,1H3
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 4n/an/an/an/an/an/an/an/a



Pennwalt Corporation

Curated by ChEMBL


Assay Description
Inhibition constant from beta adrenergic receptor binding assay

J Med Chem 32: 183-92 (1989)


BindingDB Entry DOI: 10.7270/Q2474D33
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)		BDBM50471857
PNG
(CHEMBL335496)
Show SMILES CN1O[C@]2(CN3CCC2C3)CC1=O |TLB:10:3:9:7.6,THB:2:3:9:7.6|
Show InChI InChI=1S/C9H14N2O2/c1-10-8(12)4-9(13-10)6-11-3-2-7(9)5-11/h7H,2-6H2,1H3/t7?,9-/m0/s1
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 4n/an/an/an/an/an/an/an/a



Astra Arcus USA

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor using [3H]-OXO-M as the radioligand.

J Med Chem 41: 4181-5 (1998)


Article DOI: 10.1021/jm980192x
BindingDB Entry DOI: 10.7270/Q2PV6P3B
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))		BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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 6.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for beta-receptor affinity determined in rat brain membrane fraction with [3H]- dihydroalprenolol

J Med Chem 30: 788-92 (1987)


BindingDB Entry DOI: 10.7270/Q2FT8P8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)		BDBM50034651
PNG
(2,8-Dimethyl-1-oxa-8-aza-spiro[4.5]decan-3-one | C...)
Show SMILES CC1OC2(CC1=O)CCN(C)CC2
Show InChI InChI=1S/C10H17NO2/c1-8-9(12)7-10(13-8)3-5-11(2)6-4-10/h8H,3-7H2,1-2H3
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 6.70n/an/an/an/an/an/an/an/a



Astra Arcus USA

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor using [3H]-OXO-M as the radioligand.

J Med Chem 41: 4181-5 (1998)


Article DOI: 10.1021/jm980192x
BindingDB Entry DOI: 10.7270/Q2PV6P3B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Brevig Mission/1/1918 ...)		BDBM50359308
PNG
(CHEMBL1928608)
Show SMILES CCC(CC)[C@H](NC(C)=O)[C@H]1[C@H](N)C[C@@H]([C@H]1O)C(O)=O |r|
Show InChI InChI=1S/C14H26N2O4/c1-4-8(5-2)12(16-7(3)17)11-10(15)6-9(13(11)18)14(19)20/h8-13,18H,4-6,15H2,1-3H3,(H,16,17)(H,19,20)/t9-,10+,11+,12-,13+/m0/s1
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 7.5n/an/an/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant soluble neuraminidase using 2'-4(methylumbelliferyl)-alpha-D-N-acetylneur...

Bioorg Med Chem Lett 21: 7137-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.076
BindingDB Entry DOI: 10.7270/Q2WW7J4Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)		BDBM50004656
PNG
((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...)
Show SMILES C[N+](C)(C)CCOC(N)=O
Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1
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 9n/an/an/an/an/an/an/an/a



Astra Arcus USA

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor using [3H]-OXO-M as the radioligand.

J Med Chem 41: 4181-5 (1998)


Article DOI: 10.1021/jm980192x
BindingDB Entry DOI: 10.7270/Q2PV6P3B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)		BDBM50067479
PNG
(2'-methyl-(2'S)-spiro[4-azabicyclo[2.2.1]heptane-2...)
Show SMILES C[C@H]1OCC2(CN3CCC2C3)O1 |TLB:3:4:10:8.7,THB:11:4:10:8.7|
Show InChI InChI=1S/C9H15NO2/c1-7-11-6-9(12-7)5-10-3-2-8(9)4-10/h7-8H,2-6H2,1H3/t7-,8?,9?/m0/s1
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 14n/an/an/an/an/an/an/an/a



Astra Arcus USA

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor using [3H]-OXO-M as the radioligand.

J Med Chem 41: 4181-5 (1998)


Article DOI: 10.1021/jm980192x
BindingDB Entry DOI: 10.7270/Q2PV6P3B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)		BDBM50471856
PNG
(CHEMBL448736)
Show SMILES CC1O[C@@]2(CC1=O)CN1CCC2CC1 |wU:3.2,wD:3.3,TLB:2:3:10.9:12.13,THB:4:3:10.9:12.13,(12.07,-3.46,;10.98,-4.57,;9.44,-4.31,;8.74,-5.69,;9.82,-6.79,;11.2,-6.09,;12.58,-6.81,;8.23,-6.76,;6.96,-6.13,;6.96,-4.58,;7.29,-3.34,;7.37,-4.89,;6.27,-5.67,;5.64,-6.81,)|
Show InChI InChI=1S/C11H17NO2/c1-8-10(13)6-11(14-8)7-12-4-2-9(11)3-5-12/h8-9H,2-7H2,1H3/t8?,11-/m0/s1
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 30n/an/an/an/an/an/an/an/a



Astra Arcus USA

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor using [3H]-OXO-M as the radioligand.

J Med Chem 41: 4181-5 (1998)


Article DOI: 10.1021/jm980192x
BindingDB Entry DOI: 10.7270/Q2PV6P3B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50093255
PNG
((+)-Spiro[1-azabicyclo[2.2.2]octane-3,5'-oxazolidi...)
Show SMILES O=C1NCC2(CN3CCC2CC3)O1 |(13.73,-1.27,;14.13,.22,;13.16,1.42,;14.01,2.72,;15.5,2.31,;15.5,3.85,;16.83,4.63,;18.16,3.85,;18.16,2.31,;16.83,1.55,;16.25,2.54,;17.59,3.3,;15.58,.77,)|
Show InChI InChI=1S/C9H14N2O2/c12-8-10-5-9(13-8)6-11-3-1-7(9)2-4-11/h7H,1-6H2,(H,10,12)
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 92n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
binding affinity in rat hippocampi against alpha7 nicotinic receptor

J Med Chem 43: 4045-50 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T88
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50093255
PNG
((+)-Spiro[1-azabicyclo[2.2.2]octane-3,5'-oxazolidi...)
Show SMILES O=C1NCC2(CN3CCC2CC3)O1 |(13.73,-1.27,;14.13,.22,;13.16,1.42,;14.01,2.72,;15.5,2.31,;15.5,3.85,;16.83,4.63,;18.16,3.85,;18.16,2.31,;16.83,1.55,;16.25,2.54,;17.59,3.3,;15.58,.77,)|
Show InChI InChI=1S/C9H14N2O2/c12-8-10-5-9(13-8)6-11-3-1-7(9)2-4-11/h7H,1-6H2,(H,10,12)
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 92n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
binding affinity in rat hippocampi against alpha7 nicotinic receptor

J Med Chem 43: 4045-50 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T88
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50093259
PNG
(3'-Ethylspiro[1-azabicyclo[2.2.2]octane-3,5'-oxazo...)
Show SMILES CCN1CC2(CN3CCC2CC3)OC1=O |TLB:3:4:10.11:8.7,THB:12:4:10.11:8.7,(7.97,-7.56,;8.38,-6.07,;7.29,-4.98,;5.75,-4.98,;5.26,-3.5,;4.15,-4.09,;3.57,-2.87,;1.98,-3.39,;2.56,-2.35,;4.27,-1.93,;4.63,-.97,;3.57,-1.7,;6.52,-2.59,;7.77,-3.5,;9.25,-3.03,)|
Show InChI InChI=1S/C11H18N2O2/c1-2-13-8-11(15-10(13)14)7-12-5-3-9(11)4-6-12/h9H,2-8H2,1H3
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 170n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Binding affinity in rat forebrain against Nicotinic acetylcholine receptor alpha4-beta2

J Med Chem 43: 4045-50 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T88
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50093253
PNG
((+)-3'-Methylspiro[1-azabicyclo[2.2.2]octane-3,5'-...)
Show SMILES CN1CC2(CN3CCC2CC3)OC1=O |TLB:2:3:9.10:7.6,THB:11:3:9.10:7.6,(8.37,-6.07,;7.28,-4.97,;5.74,-4.97,;5.25,-3.5,;4.14,-4.08,;3.57,-2.86,;1.97,-3.38,;2.56,-2.34,;4.26,-1.93,;4.62,-.97,;3.57,-1.69,;6.51,-2.58,;7.76,-3.5,;9.23,-3.02,)|
Show InChI InChI=1S/C10H16N2O2/c1-11-6-10(14-9(11)13)7-12-4-2-8(10)3-5-12/h8H,2-7H2,1H3
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 250n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
binding affinity in rat hippocampi against alpha7 nicotinic receptor

J Med Chem 43: 4045-50 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T88
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50093253
PNG
((+)-3'-Methylspiro[1-azabicyclo[2.2.2]octane-3,5'-...)
Show SMILES CN1CC2(CN3CCC2CC3)OC1=O |TLB:2:3:9.10:7.6,THB:11:3:9.10:7.6,(8.37,-6.07,;7.28,-4.97,;5.74,-4.97,;5.25,-3.5,;4.14,-4.08,;3.57,-2.86,;1.97,-3.38,;2.56,-2.34,;4.26,-1.93,;4.62,-.97,;3.57,-1.69,;6.51,-2.58,;7.76,-3.5,;9.23,-3.02,)|
Show InChI InChI=1S/C10H16N2O2/c1-11-6-10(14-9(11)13)7-12-4-2-8(10)3-5-12/h8H,2-7H2,1H3
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 250n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
binding affinity in rat hippocampi against alpha7 nicotinic receptor

J Med Chem 43: 4045-50 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T88
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50093253
PNG
((+)-3'-Methylspiro[1-azabicyclo[2.2.2]octane-3,5'-...)
Show SMILES CN1CC2(CN3CCC2CC3)OC1=O |TLB:2:3:9.10:7.6,THB:11:3:9.10:7.6,(8.37,-6.07,;7.28,-4.97,;5.74,-4.97,;5.25,-3.5,;4.14,-4.08,;3.57,-2.86,;1.97,-3.38,;2.56,-2.34,;4.26,-1.93,;4.62,-.97,;3.57,-1.69,;6.51,-2.58,;7.76,-3.5,;9.23,-3.02,)|
Show InChI InChI=1S/C10H16N2O2/c1-11-6-10(14-9(11)13)7-12-4-2-8(10)3-5-12/h8H,2-7H2,1H3
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 450n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
binding affinity in rat forebrain against alpha4-beta2 nicotinic receptor

J Med Chem 43: 4045-50 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T88
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50093253
PNG
((+)-3'-Methylspiro[1-azabicyclo[2.2.2]octane-3,5'-...)
Show SMILES CN1CC2(CN3CCC2CC3)OC1=O |TLB:2:3:9.10:7.6,THB:11:3:9.10:7.6,(8.37,-6.07,;7.28,-4.97,;5.74,-4.97,;5.25,-3.5,;4.14,-4.08,;3.57,-2.86,;1.97,-3.38,;2.56,-2.34,;4.26,-1.93,;4.62,-.97,;3.57,-1.69,;6.51,-2.58,;7.76,-3.5,;9.23,-3.02,)|
Show InChI InChI=1S/C10H16N2O2/c1-11-6-10(14-9(11)13)7-12-4-2-8(10)3-5-12/h8H,2-7H2,1H3
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 450n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
binding affinity in rat forebrain against alpha4-beta2 nicotinic receptor

J Med Chem 43: 4045-50 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T88
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(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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 480n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Binding affinity in rat hippocampi against Nicotinic acetylcholine receptor alpha7

J Med Chem 43: 4045-50 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T88
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50093251
PNG
(CHEMBL338698 | Spiro[1-azabicyclo[2.2.2]octane-3,5...)
Show SMILES O=C1OCC2(CN3CCC2CC3)O1 |TLB:3:4:10.11:8.7,THB:12:4:10.11:8.7,(9.83,-3.22,;8.26,-3.72,;7.75,-5.29,;6.11,-5.29,;5.59,-3.72,;4.41,-4.35,;3.8,-3.05,;2.1,-3.6,;2.73,-2.49,;4.54,-2.05,;4.92,-1.03,;3.8,-1.8,;6.93,-2.75,)|
Show InChI InChI=1S/C9H13NO3/c11-8-12-6-9(13-8)5-10-3-1-7(9)2-4-10/h7H,1-6H2
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 560n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Binding affinity in rat hippocampi against Nicotinic acetylcholine receptor alpha7

J Med Chem 43: 4045-50 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T88
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50093259
PNG
(3'-Ethylspiro[1-azabicyclo[2.2.2]octane-3,5'-oxazo...)
Show SMILES CCN1CC2(CN3CCC2CC3)OC1=O |TLB:3:4:10.11:8.7,THB:12:4:10.11:8.7,(7.97,-7.56,;8.38,-6.07,;7.29,-4.98,;5.75,-4.98,;5.26,-3.5,;4.15,-4.09,;3.57,-2.87,;1.98,-3.39,;2.56,-2.35,;4.27,-1.93,;4.63,-.97,;3.57,-1.7,;6.52,-2.59,;7.77,-3.5,;9.25,-3.03,)|
Show InChI InChI=1S/C11H18N2O2/c1-2-13-8-11(15-10(13)14)7-12-5-3-9(11)4-6-12/h9H,2-8H2,1H3
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 690n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Binding affinity in rat hippocampi against Nicotinic acetylcholine receptor alpha7

J Med Chem 43: 4045-50 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T88
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)		BDBM50006245
PNG
(CHEMBL59587 | Trimethyl-(5-methyl-4-oxo-tetrahydro...)
Show SMILES C[C@@H]1O[C@@H](C[N+](C)(C)C)CC1=O
Show InChI InChI=1S/C9H18NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-8H,5-6H2,1-4H3/q+1/t7-,8+/m0/s1
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 700n/an/an/an/an/an/an/an/a



Fisons Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor from rat brain crude membrane, using [3H]-NMS (N-Methylscopolamine) as the radioligand.

J Med Chem 38: 1558-70 (1995)


Article DOI: 10.1021/jm00009a016
BindingDB Entry DOI: 10.7270/Q24B3420
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)		BDBM50470758
PNG
(CHEMBL1794941)
Show SMILES OC(=O)C(O)=O.OC(=O)\C=C/C(O)=O.CC1OC2(CCN(C)CC2)C2SCCSC12
Show InChI InChI=1S/C12H21NOS2.C4H4O4.C2H2O4/c1-9-10-11(16-8-7-15-10)12(14-9)3-5-13(2)6-4-12;5-3(6)1-2-4(7)8;3-1(4)2(5)6/h9-11H,3-8H2,1-2H3;1-2H,(H,5,6)(H,7,8);(H,3,4)(H,5,6)/b;2-1-;
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 1.47E+3n/an/an/an/an/an/an/an/a



Fisons Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor from rat brain crude membrane, using [3H]-NMS (N-Methylscopolamine) as the radioligand.

J Med Chem 38: 1558-70 (1995)


Article DOI: 10.1021/jm00009a016
BindingDB Entry DOI: 10.7270/Q24B3420
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)		BDBM50470759
PNG
(CHEMBL1794940)
Show SMILES OC(=O)C(O)=O.OC(=O)\C=C/C(O)=O.CC1OC2(CCN(C)CC2)C2OCCOC12
Show InChI InChI=1S/C12H21NO3.C4H4O4.C2H2O4/c1-9-10-11(15-8-7-14-10)12(16-9)3-5-13(2)6-4-12;5-3(6)1-2-4(7)8;3-1(4)2(5)6/h9-11H,3-8H2,1-2H3;1-2H,(H,5,6)(H,7,8);(H,3,4)(H,5,6)/b;2-1-;
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 1.47E+3n/an/an/an/an/an/an/an/a



Fisons Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor from rat brain crude membrane, using [3H]-NMS (N-Methylscopolamine) as the radioligand.

J Med Chem 38: 1558-70 (1995)


Article DOI: 10.1021/jm00009a016
BindingDB Entry DOI: 10.7270/Q24B3420
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))		BDBM50227820
PNG
(CHEMBL57544)
Show SMILES OC(CNC1CC1)COc1ccc2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C21H21NO4/c23-16(12-22-15-6-7-15)13-25-17-8-9-18-19(24)11-20(26-21(18)10-17)14-4-2-1-3-5-14/h1-5,8-11,15-16,22-23H,6-7,12-13H2
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 1.50E+3n/an/an/an/an/an/an/an/a



Pennwalt Corporation

Curated by ChEMBL


Assay Description
Inhibition constant from beta adrenergic receptor binding assay

J Med Chem 32: 183-92 (1989)


BindingDB Entry DOI: 10.7270/Q2474D33
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))		BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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 1.60E+3n/an/an/an/an/an/an/an/a



Pennwalt Corporation

Curated by ChEMBL


Assay Description
Inhibition constant from beta adrenergic receptor binding assay

J Med Chem 32: 183-92 (1989)


BindingDB Entry DOI: 10.7270/Q2474D33
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)		BDBM50470766
PNG
(CHEMBL40032)
Show SMILES CC1OC2(C\C1=N/O)CCN(C)CC2
Show InChI InChI=1S/C10H18N2O2/c1-8-9(11-13)7-10(14-8)3-5-12(2)6-4-10/h8,13H,3-7H2,1-2H3/b11-9+
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 1.63E+3n/an/an/an/an/an/an/an/a



Fisons Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor from rat brain crude membrane, using [3H]-NMS (N-Methylscopolamine) as the radioligand.

J Med Chem 38: 1558-70 (1995)


Article DOI: 10.1021/jm00009a016
BindingDB Entry DOI: 10.7270/Q24B3420
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))		BDBM50227814
PNG
(CHEMBL291999)
Show SMILES CC(C)NCC(O)COc1ccc2oc(cc(=O)c2c1)-c1ccccc1
Show InChI InChI=1S/C21H23NO4/c1-14(2)22-12-16(23)13-25-17-8-9-20-18(10-17)19(24)11-21(26-20)15-6-4-3-5-7-15/h3-11,14,16,22-23H,12-13H2,1-2H3
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 2.20E+3n/an/an/an/an/an/an/an/a



Pennwalt Corporation

Curated by ChEMBL


Assay Description
Inhibition constant from beta adrenergic receptor binding assay

J Med Chem 32: 183-92 (1989)


BindingDB Entry DOI: 10.7270/Q2474D33
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50093251
PNG
(CHEMBL338698 | Spiro[1-azabicyclo[2.2.2]octane-3,5...)
Show SMILES O=C1OCC2(CN3CCC2CC3)O1 |TLB:3:4:10.11:8.7,THB:12:4:10.11:8.7,(9.83,-3.22,;8.26,-3.72,;7.75,-5.29,;6.11,-5.29,;5.59,-3.72,;4.41,-4.35,;3.8,-3.05,;2.1,-3.6,;2.73,-2.49,;4.54,-2.05,;4.92,-1.03,;3.8,-1.8,;6.93,-2.75,)|
Show InChI InChI=1S/C9H13NO3/c11-8-12-6-9(13-8)5-10-3-1-7(9)2-4-10/h7H,1-6H2
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 2.20E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Binding affinity in rat forebrain against Nicotinic acetylcholine receptor alpha4-beta2

J Med Chem 43: 4045-50 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T88
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)		BDBM50284961
PNG
((S)-2,8-Dimethyl-1-oxa-8-aza-spiro[4.5]decan-3-one...)
Show SMILES C[C@@H]1OC2(CC1=O)CCN(C)CC2
Show InChI InChI=1S/C10H17NO2/c1-8-9(12)7-10(13-8)3-5-11(2)6-4-10/h8H,3-7H2,1-2H3/t8-/m0/s1
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 2.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its affinity towards Muscarinic acetylcholine receptor M2, using [3H]- N-methyl-scopolamine, a radioligand displacement as...

Bioorg Med Chem Lett 5: 1813-1818 (1995)


Article DOI: 10.1016/0960-894X(95)00301-9
BindingDB Entry DOI: 10.7270/Q27M07WJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)		BDBM50470770
PNG
(CHEMBL40063)
Show SMILES CCC1OC2(CC1=O)CCN(C)CC2
Show InChI InChI=1S/C11H19NO2/c1-3-10-9(13)8-11(14-10)4-6-12(2)7-5-11/h10H,3-8H2,1-2H3
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 2.58E+3n/an/an/an/an/an/an/an/a



Fisons Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor from rat brain crude membrane, using [3H]-NMS (N-Methylscopolamine) as the radioligand.

J Med Chem 38: 1558-70 (1995)


Article DOI: 10.1021/jm00009a016
BindingDB Entry DOI: 10.7270/Q24B3420
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)		BDBM50034651
PNG
(2,8-Dimethyl-1-oxa-8-aza-spiro[4.5]decan-3-one | C...)
Show SMILES CC1OC2(CC1=O)CCN(C)CC2
Show InChI InChI=1S/C10H17NO2/c1-8-9(12)7-10(13-8)3-5-11(2)6-4-10/h8H,3-7H2,1-2H3
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 2.68E+3n/an/an/an/an/an/an/an/a



Fisons Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor from rat brain crude membrane, using [3H]-NMS (N-Methylscopolamine) as the radioligand.

J Med Chem 38: 1558-70 (1995)


Article DOI: 10.1021/jm00009a016
BindingDB Entry DOI: 10.7270/Q24B3420
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50008072
PNG
((+)-pilocarpine | (3S,4R)-3-ethyl-4-[(1-methyl-1H-...)
Show SMILES CC[C@H]1[C@@H](Cc2cncn2C)COC1=O |r|
Show InChI InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1
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 3.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its affinity towards Muscarinic acetylcholine receptor M1, using [3H]- pirenzepine, a radioligand displacement assay in ra...

Bioorg Med Chem Lett 5: 1813-1818 (1995)


Article DOI: 10.1016/0960-894X(95)00301-9
BindingDB Entry DOI: 10.7270/Q27M07WJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)		BDBM50008072
PNG
((+)-pilocarpine | (3S,4R)-3-ethyl-4-[(1-methyl-1H-...)
Show SMILES CC[C@H]1[C@@H](Cc2cncn2C)COC1=O |r|
Show InChI InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1
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 3.67E+3n/an/an/an/an/an/an/an/a



Fisons Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor from rat brain crude membrane, using [3H]-NMS (N-Methylscopolamine) as the radioligand.

J Med Chem 38: 1558-70 (1995)


Article DOI: 10.1021/jm00009a016
BindingDB Entry DOI: 10.7270/Q24B3420
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50093260
PNG
(CHEMBL133295 | Spiro[1-azabicyclo[2.2.2]octane-3,5...)
Show SMILES O=C1CCC2(CN3CCC2CC3)O1 |TLB:3:4:10.11:8.7,THB:12:4:10.11:8.7,(9.2,-3.01,;7.73,-3.48,;7.26,-4.95,;5.72,-4.95,;5.23,-3.48,;4.13,-4.07,;3.55,-2.85,;1.97,-3.37,;2.55,-2.33,;4.25,-1.92,;4.6,-.96,;3.55,-1.69,;6.49,-2.57,)|
Show InChI InChI=1S/C10H15NO2/c12-9-1-4-10(13-9)7-11-5-2-8(10)3-6-11/h8H,1-7H2
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 3.70E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Binding affinity in rat hippocampi against Nicotinic acetylcholine receptor alpha7

J Med Chem 43: 4045-50 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T88
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50034651
PNG
(2,8-Dimethyl-1-oxa-8-aza-spiro[4.5]decan-3-one | C...)
Show SMILES CC1OC2(CC1=O)CCN(C)CC2
Show InChI InChI=1S/C10H17NO2/c1-8-9(12)7-10(13-8)3-5-11(2)6-4-10/h8H,3-7H2,1-2H3
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 3.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes

Bioorg Med Chem Lett 6: 2525-2530 (1996)


Article DOI: 10.1016/0960-894X(96)00471-4
BindingDB Entry DOI: 10.7270/Q2NK3F1B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50034651
PNG
(2,8-Dimethyl-1-oxa-8-aza-spiro[4.5]decan-3-one | C...)
Show SMILES CC1OC2(CC1=O)CCN(C)CC2
Show InChI InChI=1S/C10H17NO2/c1-8-9(12)7-10(13-8)3-5-11(2)6-4-10/h8H,3-7H2,1-2H3
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 3.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its affinity towards Muscarinic acetylcholine receptor M1, using [3H]- pirenzepine, a radioligand displacement assay in ra...

Bioorg Med Chem Lett 5: 1813-1818 (1995)


Article DOI: 10.1016/0960-894X(95)00301-9
BindingDB Entry DOI: 10.7270/Q27M07WJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50093257
PNG
(CHEMBL131574 | Spiro[1-azabicyclo[2.2.2]octane-3,4...)
Show SMILES O=C1CC2(CN1)CN1CCC2CC1 |TLB:4:3:11.12:9.8,THB:2:3:11.12:9.8,(9.19,-3.01,;7.72,-3.48,;6.48,-2.57,;5.23,-3.48,;5.71,-4.95,;7.25,-4.95,;4.13,-4.06,;3.55,-2.85,;1.97,-3.36,;2.55,-2.33,;4.24,-1.92,;4.6,-.96,;3.55,-1.69,)|
Show InChI InChI=1S/C10H16N2O/c13-9-5-10(6-11-9)7-12-3-1-8(10)2-4-12/h8H,1-7H2,(H,11,13)
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 4.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Binding affinity in rat hippocampi against Nicotinic acetylcholine receptor alpha7

J Med Chem 43: 4045-50 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T88
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50284961
PNG
((S)-2,8-Dimethyl-1-oxa-8-aza-spiro[4.5]decan-3-one...)
Show SMILES C[C@@H]1OC2(CC1=O)CCN(C)CC2
Show InChI InChI=1S/C10H17NO2/c1-8-9(12)7-10(13-8)3-5-11(2)6-4-10/h8H,3-7H2,1-2H3/t8-/m0/s1
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 4.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its affinity towards Muscarinic acetylcholine receptor M1, using [3H]- pirenzepine, a radioligand displacement assay in ra...

Bioorg Med Chem Lett 5: 1813-1818 (1995)


Article DOI: 10.1016/0960-894X(95)00301-9
BindingDB Entry DOI: 10.7270/Q27M07WJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50093256
PNG
(CHEMBL130205 | Spiro[1-azabicyclo[2.2.2]octane-3,4...)
Show SMILES O=C1NC2(CO1)CN1CCC2CC1 |TLB:4:3:11.12:9.8,THB:2:3:11.12:9.8,(24.72,-6.48,;23.15,-7,;21.81,-6.02,;20.48,-7,;20.98,-8.57,;22.63,-8.57,;19.28,-7.62,;18.67,-6.32,;16.97,-6.87,;17.6,-5.76,;19.41,-5.32,;19.8,-4.3,;18.67,-5.07,)|
Show InChI InChI=1S/C9H14N2O2/c12-8-10-9(6-13-8)5-11-3-1-7(9)2-4-11/h7H,1-6H2,(H,10,12)
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>4.30E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Binding affinity in rat hippocampi against Nicotinic acetylcholine receptor alpha7

J Med Chem 43: 4045-50 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T88
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50288143
PNG
(4-Cyclohexyl-benzoic acid [2,8-dimethyl-1-oxa-8-az...)
Show SMILES CC1OC2(CC1=NNC(=O)c1ccc(cc1)C1CCCCC1)CCN(C)CC2 |w:6.7|
Show InChI InChI=1S/C23H33N3O2/c1-17-21(16-23(28-17)12-14-26(2)15-13-23)24-25-22(27)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h8-11,17-18H,3-7,12-16H2,1-2H3,(H,25,27)
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 4.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes

Bioorg Med Chem Lett 6: 2525-2530 (1996)


Article DOI: 10.1016/0960-894X(96)00471-4
BindingDB Entry DOI: 10.7270/Q2NK3F1B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Brisbane/59/2007(H1N1)))		BDBM139226
PNG
(US8883846, 32)
Show SMILES CC(=O)N[C@H]1CS(=O)(=O)C2[C@H](C[C@@H](NC(N)=N)C12)C(O)=O |r|
Show InChI InChI=1S/C11H18N4O5S/c1-4(16)14-7-3-21(19,20)9-5(10(17)18)2-6(8(7)9)15-11(12)13/h5-9H,2-3H2,1H3,(H,14,16)(H,17,18)(H4,12,13,15)/t5-,6+,7-,8?,9?/m0/s1
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 5.00E+3 -30.3 3.00E+4n/an/an/an/an/a25



UVic Industry Partnerships Inc.

US Patent


Assay Description
Virus propagation: Influenza A/Brisbane/59/2007 (H1N1) virus was propagated in Madin-Darby Canine Kidney (MDCK) cells. Seed virus was inoculated into...

US Patent US8883846 (2014)


BindingDB Entry DOI: 10.7270/Q2KK99HM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)		BDBM50034651
PNG
(2,8-Dimethyl-1-oxa-8-aza-spiro[4.5]decan-3-one | C...)
Show SMILES CC1OC2(CC1=O)CCN(C)CC2
Show InChI InChI=1S/C10H17NO2/c1-8-9(12)7-10(13-8)3-5-11(2)6-4-10/h8H,3-7H2,1-2H3
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 5.30E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its affinity towards Muscarinic acetylcholine receptor M2, using [3H]- N-methyl-scopolamine, a radioligand displacement as...

Bioorg Med Chem Lett 5: 1813-1818 (1995)


Article DOI: 10.1016/0960-894X(95)00301-9
BindingDB Entry DOI: 10.7270/Q27M07WJ
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))		BDBM50227817
PNG
(CHEMBL57611)
Show SMILES OC(CNC1CCCCC1)COc1ccc2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C24H27NO4/c26-19(15-25-18-9-5-2-6-10-18)16-28-20-11-12-21-22(27)14-23(29-24(21)13-20)17-7-3-1-4-8-17/h1,3-4,7-8,11-14,18-19,25-26H,2,5-6,9-10,15-16H2
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 5.50E+3n/an/an/an/an/an/an/an/a



Pennwalt Corporation

Curated by ChEMBL


Assay Description
Inhibition constant obtained from beta adrenergic receptor binding assay

J Med Chem 32: 183-92 (1989)


BindingDB Entry DOI: 10.7270/Q2474D33
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)		BDBM46858
PNG
(1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid...)
Show SMILES COC(=O)C1=CCCN(C)C1 |t:4|
Show InChI InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3
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 7.12E+3n/an/an/an/an/an/an/an/a



Fisons Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor from rat brain crude membrane, using [3H]-NMS (N-Methylscopolamine) as the radioligand.

J Med Chem 38: 1558-70 (1995)


Article DOI: 10.1021/jm00009a016
BindingDB Entry DOI: 10.7270/Q24B3420
More data for this
Ligand-Target Pair
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