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PubMed code 15808475

Compile data set for download or QSAR
Found 40 hits of Enzyme Inhibition Constant Data   
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 receptor M2 and M3


(RAT)
BDBM50165019
PNG
(4-(Diethylamino)-2-butynyl alpha-phenylcyclohexane...)
Show SMILES CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3
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PubMed
0.950n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for rat Muscarinic acetylcholine receptor M3


Bioorg Med Chem Lett 15: 2093-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.036
BindingDB Entry DOI: 10.7270/Q2DJ5F4X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50165017
PNG
(CHEMBL192485 | Cyclopentyl-hydroxy-phenyl-acetic a...)
Show SMILES OC(C1CCCC1)(C(=O)OCC#CCN1CC2CC2C1)c1ccccc1
Show InChI InChI=1S/C22H27NO3/c24-21(26-13-7-6-12-23-15-17-14-18(17)16-23)22(25,20-10-4-5-11-20)19-8-2-1-3-9-19/h1-3,8-9,17-18,20,25H,4-5,10-16H2
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6n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Ki value for rat Muscarinic acetylcholine receptor M3


Bioorg Med Chem Lett 15: 2093-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.036
BindingDB Entry DOI: 10.7270/Q2DJ5F4X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50165008
PNG
((+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl...)
Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C
Show InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1
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PubMed
6.91n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for rat Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 15: 2093-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.036
BindingDB Entry DOI: 10.7270/Q2DJ5F4X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50165019
PNG
(4-(Diethylamino)-2-butynyl alpha-phenylcyclohexane...)
Show SMILES CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3
PDB

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6.97n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for rat Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 15: 2093-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.036
BindingDB Entry DOI: 10.7270/Q2DJ5F4X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50165008
PNG
((+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl...)
Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C
Show InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1
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PubMed
7.07n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for rat Muscarinic acetylcholine receptor M3


Bioorg Med Chem Lett 15: 2093-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.036
BindingDB Entry DOI: 10.7270/Q2DJ5F4X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50165012
PNG
(CHEMBL192065 | Hydroxy-diphenyl-acetic acid 4-(3-a...)
Show SMILES OC(C(=O)OCC#CCN1CC2CC2C1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H23NO3/c25-22(27-14-8-7-13-24-16-18-15-19(18)17-24)23(26,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-6,9-12,18-19,26H,13-17H2
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14n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for rat Muscarinic acetylcholine receptor M3


Bioorg Med Chem Lett 15: 2093-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.036
BindingDB Entry DOI: 10.7270/Q2DJ5F4X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50165016
PNG
(4-Methyl-2-[3-((1R,5S)-2-methyl-3-aza-bicyclo[3.1....)
Show SMILES CC1[C@@H]2C[C@@H]2CN1CCC(c1ccccc1)c1cc(C)ccc1O
Show InChI InChI=1S/C22H27NO/c1-15-8-9-22(24)21(12-15)19(17-6-4-3-5-7-17)10-11-23-14-18-13-20(18)16(23)2/h3-9,12,16,18-20,24H,10-11,13-14H2,1-2H3/t16?,18-,19?,20+/m1/s1
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25n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for rat Muscarinic acetylcholine receptor M3


Bioorg Med Chem Lett 15: 2093-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.036
BindingDB Entry DOI: 10.7270/Q2DJ5F4X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50165012
PNG
(CHEMBL192065 | Hydroxy-diphenyl-acetic acid 4-(3-a...)
Show SMILES OC(C(=O)OCC#CCN1CC2CC2C1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H23NO3/c25-22(27-14-8-7-13-24-16-18-15-19(18)17-24)23(26,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-6,9-12,18-19,26H,13-17H2
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31n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for rat Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 15: 2093-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.036
BindingDB Entry DOI: 10.7270/Q2DJ5F4X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50165016
PNG
(4-Methyl-2-[3-((1R,5S)-2-methyl-3-aza-bicyclo[3.1....)
Show SMILES CC1[C@@H]2C[C@@H]2CN1CCC(c1ccccc1)c1cc(C)ccc1O
Show InChI InChI=1S/C22H27NO/c1-15-8-9-22(24)21(12-15)19(17-6-4-3-5-7-17)10-11-23-14-18-13-20(18)16(23)2/h3-9,12,16,18-20,24H,10-11,13-14H2,1-2H3/t16?,18-,19?,20+/m1/s1
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34n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for rat Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 15: 2093-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.036
BindingDB Entry DOI: 10.7270/Q2DJ5F4X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50165010
PNG
(CHEMBL192537 | Cyclohexyl-hydroxy-phenyl-acetic ac...)
Show SMILES OC(C1CCCCC1)(C(=O)OCC#CCN1CC2CC2C1)c1ccccc1
Show InChI InChI=1S/C23H29NO3/c25-22(27-14-8-7-13-24-16-18-15-19(18)17-24)23(26,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1,3-4,9-10,18-19,21,26H,2,5-6,11-17H2
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35n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for rat Muscarinic acetylcholine receptor M3


Bioorg Med Chem Lett 15: 2093-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.036
BindingDB Entry DOI: 10.7270/Q2DJ5F4X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50165020
PNG
(Bis-(4-fluoro-phenyl)-hydroxy-acetic acid 4-(3-aza...)
Show SMILES OC(C(=O)OCC#CCN1CC2CC2C1)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C23H21F2NO3/c24-20-7-3-18(4-8-20)23(28,19-5-9-21(25)10-6-19)22(27)29-12-2-1-11-26-14-16-13-17(16)15-26/h3-10,16-17,28H,11-15H2
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39n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for rat Muscarinic acetylcholine receptor M3


Bioorg Med Chem Lett 15: 2093-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.036
BindingDB Entry DOI: 10.7270/Q2DJ5F4X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50165020
PNG
(Bis-(4-fluoro-phenyl)-hydroxy-acetic acid 4-(3-aza...)
Show SMILES OC(C(=O)OCC#CCN1CC2CC2C1)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C23H21F2NO3/c24-20-7-3-18(4-8-20)23(28,19-5-9-21(25)10-6-19)22(27)29-12-2-1-11-26-14-16-13-17(16)15-26/h3-10,16-17,28H,11-15H2
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40n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for rat Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 15: 2093-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.036
BindingDB Entry DOI: 10.7270/Q2DJ5F4X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50165016
PNG
(4-Methyl-2-[3-((1R,5S)-2-methyl-3-aza-bicyclo[3.1....)
Show SMILES CC1[C@@H]2C[C@@H]2CN1CCC(c1ccccc1)c1cc(C)ccc1O
Show InChI InChI=1S/C22H27NO/c1-15-8-9-22(24)21(12-15)19(17-6-4-3-5-7-17)10-11-23-14-18-13-20(18)16(23)2/h3-9,12,16,18-20,24H,10-11,13-14H2,1-2H3/t16?,18-,19?,20+/m1/s1
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42n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for rat Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 15: 2093-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.036
BindingDB Entry DOI: 10.7270/Q2DJ5F4X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50165018
PNG
(2-((1R,5S)-3-3-Aza-bicyclo[3.1.0]hex-3-yl-1-phenyl...)
Show SMILES Cc1ccc(O)c(c1)C(CCN1C[C@@H]2C[C@@H]2C1)c1ccccc1
Show InChI InChI=1S/C21H25NO/c1-15-7-8-21(23)20(11-15)19(16-5-3-2-4-6-16)9-10-22-13-17-12-18(17)14-22/h2-8,11,17-19,23H,9-10,12-14H2,1H3/t17-,18+,19?
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50n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for rat Muscarinic acetylcholine receptor M3


Bioorg Med Chem Lett 15: 2093-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.036
BindingDB Entry DOI: 10.7270/Q2DJ5F4X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50165010
PNG
(CHEMBL192537 | Cyclohexyl-hydroxy-phenyl-acetic ac...)
Show SMILES OC(C1CCCCC1)(C(=O)OCC#CCN1CC2CC2C1)c1ccccc1
Show InChI InChI=1S/C23H29NO3/c25-22(27-14-8-7-13-24-16-18-15-19(18)17-24)23(26,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1,3-4,9-10,18-19,21,26H,2,5-6,11-17H2
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72n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for rat Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 15: 2093-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.036
BindingDB Entry DOI: 10.7270/Q2DJ5F4X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50165016
PNG
(4-Methyl-2-[3-((1R,5S)-2-methyl-3-aza-bicyclo[3.1....)
Show SMILES CC1[C@@H]2C[C@@H]2CN1CCC(c1ccccc1)c1cc(C)ccc1O
Show InChI InChI=1S/C22H27NO/c1-15-8-9-22(24)21(12-15)19(17-6-4-3-5-7-17)10-11-23-14-18-13-20(18)16(23)2/h3-9,12,16,18-20,24H,10-11,13-14H2,1-2H3/t16?,18-,19?,20+/m1/s1
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79n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for rat Muscarinic acetylcholine receptor M3


Bioorg Med Chem Lett 15: 2093-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.036
BindingDB Entry DOI: 10.7270/Q2DJ5F4X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50165017
PNG
(CHEMBL192485 | Cyclopentyl-hydroxy-phenyl-acetic a...)
Show SMILES OC(C1CCCC1)(C(=O)OCC#CCN1CC2CC2C1)c1ccccc1
Show InChI InChI=1S/C22H27NO3/c24-21(26-13-7-6-12-23-15-17-14-18(17)16-23)22(25,20-10-4-5-11-20)19-8-2-1-3-9-19/h1-3,8-9,17-18,20,25H,4-5,10-16H2
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102n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Ki value for rat Muscarinic acetylcholine receptor M3


Bioorg Med Chem Lett 15: 2093-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.036
BindingDB Entry DOI: 10.7270/Q2DJ5F4X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50165018
PNG
(2-((1R,5S)-3-3-Aza-bicyclo[3.1.0]hex-3-yl-1-phenyl...)
Show SMILES Cc1ccc(O)c(c1)C(CCN1C[C@@H]2C[C@@H]2C1)c1ccccc1
Show InChI InChI=1S/C21H25NO/c1-15-7-8-21(23)20(11-15)19(16-5-3-2-4-6-16)9-10-22-13-17-12-18(17)14-22/h2-8,11,17-19,23H,9-10,12-14H2,1H3/t17-,18+,19?
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105n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for rat Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 15: 2093-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.036
BindingDB Entry DOI: 10.7270/Q2DJ5F4X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50165022
PNG
(4-Methyl-2-[3-((1R,5S)-1-methyl-3-aza-bicyclo[3.1....)
Show SMILES Cc1ccc(O)c(c1)C(CCN1C[C@H]2C[C@@]2(C)C1)c1ccccc1
Show InChI InChI=1S/C22H27NO/c1-16-8-9-21(24)20(12-16)19(17-6-4-3-5-7-17)10-11-23-14-18-13-22(18,2)15-23/h3-9,12,18-19,24H,10-11,13-15H2,1-2H3/t18-,19?,22+/m1/s1
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118n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for rat Muscarinic acetylcholine receptor M3


Bioorg Med Chem Lett 15: 2093-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.036
BindingDB Entry DOI: 10.7270/Q2DJ5F4X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50165022
PNG
(4-Methyl-2-[3-((1R,5S)-1-methyl-3-aza-bicyclo[3.1....)
Show SMILES Cc1ccc(O)c(c1)C(CCN1C[C@H]2C[C@@]2(C)C1)c1ccccc1
Show InChI InChI=1S/C22H27NO/c1-16-8-9-21(24)20(12-16)19(17-6-4-3-5-7-17)10-11-23-14-18-13-22(18,2)15-23/h3-9,12,18-19,24H,10-11,13-15H2,1-2H3/t18-,19?,22+/m1/s1
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221n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for rat Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 15: 2093-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.036
BindingDB Entry DOI: 10.7270/Q2DJ5F4X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50165024
PNG
(CHEMBL195169 | N-[4-(3-Aza-bicyclo[3.1.0]hex-3-yl)...)
Show SMILES OC(C(=O)NCC#CCN1CC2CC2C1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H24N2O2/c26-22(24-13-7-8-14-25-16-18-15-19(18)17-25)23(27,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-6,9-12,18-19,27H,13-17H2,(H,24,26)
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291n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for rat Muscarinic acetylcholine receptor M3


Bioorg Med Chem Lett 15: 2093-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.036
BindingDB Entry DOI: 10.7270/Q2DJ5F4X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50165017
PNG
(CHEMBL192485 | Cyclopentyl-hydroxy-phenyl-acetic a...)
Show SMILES OC(C1CCCC1)(C(=O)OCC#CCN1CC2CC2C1)c1ccccc1
Show InChI InChI=1S/C22H27NO3/c24-21(26-13-7-6-12-23-15-17-14-18(17)16-23)22(25,20-10-4-5-11-20)19-8-2-1-3-9-19/h1-3,8-9,17-18,20,25H,4-5,10-16H2
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330n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for rat Muscarinic acetylcholine receptor M3


Bioorg Med Chem Lett 15: 2093-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.036
BindingDB Entry DOI: 10.7270/Q2DJ5F4X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50165013
PNG
(CHEMBL194870 | N-[4-(3-Aza-bicyclo[3.1.0]hex-3-yl)...)
Show SMILES OC(C(=O)NCC#CCN1CC2CC2C1)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C23H22F2N2O2/c24-20-7-3-18(4-8-20)23(29,19-5-9-21(25)10-6-19)22(28)26-11-1-2-12-27-14-16-13-17(16)15-27/h3-10,16-17,29H,11-15H2,(H,26,28)
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366n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for rat Muscarinic acetylcholine receptor M3


Bioorg Med Chem Lett 15: 2093-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.036
BindingDB Entry DOI: 10.7270/Q2DJ5F4X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50165017
PNG
(CHEMBL192485 | Cyclopentyl-hydroxy-phenyl-acetic a...)
Show SMILES OC(C1CCCC1)(C(=O)OCC#CCN1CC2CC2C1)c1ccccc1
Show InChI InChI=1S/C22H27NO3/c24-21(26-13-7-6-12-23-15-17-14-18(17)16-23)22(25,20-10-4-5-11-20)19-8-2-1-3-9-19/h1-3,8-9,17-18,20,25H,4-5,10-16H2
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425n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for rat Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 15: 2093-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.036
BindingDB Entry DOI: 10.7270/Q2DJ5F4X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50165017
PNG
(CHEMBL192485 | Cyclopentyl-hydroxy-phenyl-acetic a...)
Show SMILES OC(C1CCCC1)(C(=O)OCC#CCN1CC2CC2C1)c1ccccc1
Show InChI InChI=1S/C22H27NO3/c24-21(26-13-7-6-12-23-15-17-14-18(17)16-23)22(25,20-10-4-5-11-20)19-8-2-1-3-9-19/h1-3,8-9,17-18,20,25H,4-5,10-16H2
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425n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for rat Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 15: 2093-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.036
BindingDB Entry DOI: 10.7270/Q2DJ5F4X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50165017
PNG
(CHEMBL192485 | Cyclopentyl-hydroxy-phenyl-acetic a...)
Show SMILES OC(C1CCCC1)(C(=O)OCC#CCN1CC2CC2C1)c1ccccc1
Show InChI InChI=1S/C22H27NO3/c24-21(26-13-7-6-12-23-15-17-14-18(17)16-23)22(25,20-10-4-5-11-20)19-8-2-1-3-9-19/h1-3,8-9,17-18,20,25H,4-5,10-16H2
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425n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for rat Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 15: 2093-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.036
BindingDB Entry DOI: 10.7270/Q2DJ5F4X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50165024
PNG
(CHEMBL195169 | N-[4-(3-Aza-bicyclo[3.1.0]hex-3-yl)...)
Show SMILES OC(C(=O)NCC#CCN1CC2CC2C1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H24N2O2/c26-22(24-13-7-8-14-25-16-18-15-19(18)17-25)23(27,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-6,9-12,18-19,27H,13-17H2,(H,24,26)
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639n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for rat Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 15: 2093-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.036
BindingDB Entry DOI: 10.7270/Q2DJ5F4X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50165013
PNG
(CHEMBL194870 | N-[4-(3-Aza-bicyclo[3.1.0]hex-3-yl)...)
Show SMILES OC(C(=O)NCC#CCN1CC2CC2C1)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C23H22F2N2O2/c24-20-7-3-18(4-8-20)23(29,19-5-9-21(25)10-6-19)22(28)26-11-1-2-12-27-14-16-13-17(16)15-27/h3-10,16-17,29H,11-15H2,(H,26,28)
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736n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for rat Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 15: 2093-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.036
BindingDB Entry DOI: 10.7270/Q2DJ5F4X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50165014
PNG
(CHEMBL190459 | Cyclopentyl-hydroxy-(4-methoxy-phen...)
Show SMILES COc1ccc(cc1)C(O)(C1CCCC1)C(=O)OCC#CCN1CC2CC2C1
Show InChI InChI=1S/C23H29NO4/c1-27-21-10-8-20(9-11-21)23(26,19-6-2-3-7-19)22(25)28-13-5-4-12-24-15-17-14-18(17)16-24/h8-11,17-19,26H,2-3,6-7,12-16H2,1H3
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964n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for rat Muscarinic acetylcholine receptor M3


Bioorg Med Chem Lett 15: 2093-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.036
BindingDB Entry DOI: 10.7270/Q2DJ5F4X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50165021
PNG
(2-[3-((1R,5S)-1,5-Dimethyl-3-aza-bicyclo[3.1.0]hex...)
Show SMILES Cc1ccc(O)c(c1)C(CCN1C[C@@]2(C)C[C@@]2(C)C1)c1ccccc1
Show InChI InChI=1S/C23H29NO/c1-17-9-10-21(25)20(13-17)19(18-7-5-4-6-8-18)11-12-24-15-22(2)14-23(22,3)16-24/h4-10,13,19,25H,11-12,14-16H2,1-3H3/t19?,22-,23+
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>1.00E+3n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for rat Muscarinic acetylcholine receptor M3


Bioorg Med Chem Lett 15: 2093-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.036
BindingDB Entry DOI: 10.7270/Q2DJ5F4X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50165021
PNG
(2-[3-((1R,5S)-1,5-Dimethyl-3-aza-bicyclo[3.1.0]hex...)
Show SMILES Cc1ccc(O)c(c1)C(CCN1C[C@@]2(C)C[C@@]2(C)C1)c1ccccc1
Show InChI InChI=1S/C23H29NO/c1-17-9-10-21(25)20(13-17)19(18-7-5-4-6-8-18)11-12-24-15-22(2)14-23(22,3)16-24/h4-10,13,19,25H,11-12,14-16H2,1-3H3/t19?,22-,23+
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>1.00E+3n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for rat Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 15: 2093-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.036
BindingDB Entry DOI: 10.7270/Q2DJ5F4X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50165011
PNG
((1R,5S)-3-[3-(2-Benzyloxy-5-methyl-phenyl)-3-pheny...)
Show SMILES CC1[C@@H]2C[C@@H]2CN1CCC(c1ccccc1)c1cc(C)ccc1OCc1ccccc1
Show InChI InChI=1S/C29H33NO/c1-21-13-14-29(31-20-23-9-5-3-6-10-23)28(17-21)26(24-11-7-4-8-12-24)15-16-30-19-25-18-27(25)22(30)2/h3-14,17,22,25-27H,15-16,18-20H2,1-2H3/t22?,25-,26?,27+/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for rat Muscarinic acetylcholine receptor M3


Bioorg Med Chem Lett 15: 2093-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.036
BindingDB Entry DOI: 10.7270/Q2DJ5F4X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50165009
PNG
((1R,5S)-3-[3-(2-Benzyloxy-5-methyl-phenyl)-3-pheny...)
Show SMILES Cc1ccc(OCc2ccccc2)c(c1)C(CCN1C[C@@H]2C[C@@H]2C1)c1ccccc1
Show InChI InChI=1S/C28H31NO/c1-21-12-13-28(30-20-22-8-4-2-5-9-22)27(16-21)26(23-10-6-3-7-11-23)14-15-29-18-24-17-25(24)19-29/h2-13,16,24-26H,14-15,17-20H2,1H3/t24-,25+,26?
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>1.00E+3n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for rat Muscarinic acetylcholine receptor M3


Bioorg Med Chem Lett 15: 2093-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.036
BindingDB Entry DOI: 10.7270/Q2DJ5F4X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50165014
PNG
(CHEMBL190459 | Cyclopentyl-hydroxy-(4-methoxy-phen...)
Show SMILES COc1ccc(cc1)C(O)(C1CCCC1)C(=O)OCC#CCN1CC2CC2C1
Show InChI InChI=1S/C23H29NO4/c1-27-21-10-8-20(9-11-21)23(26,19-6-2-3-7-19)22(25)28-13-5-4-12-24-15-17-14-18(17)16-24/h8-11,17-19,26H,2-3,6-7,12-16H2,1H3
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1.93E+3n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for rat Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 15: 2093-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.036
BindingDB Entry DOI: 10.7270/Q2DJ5F4X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50165023
PNG
(CHEMBL424832 | N-[4-(3-Aza-bicyclo[3.1.0]hex-3-yl)...)
Show SMILES OC(C1CCCCC1)(C(=O)NCC#CCN1CC2CC2C1)c1ccccc1
Show InChI InChI=1S/C23H30N2O2/c26-22(24-13-7-8-14-25-16-18-15-19(18)17-25)23(27,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1,3-4,9-10,18-19,21,27H,2,5-6,11-17H2,(H,24,26)
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2.61E+3n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for rat Muscarinic acetylcholine receptor M3


Bioorg Med Chem Lett 15: 2093-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.036
BindingDB Entry DOI: 10.7270/Q2DJ5F4X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50165023
PNG
(CHEMBL424832 | N-[4-(3-Aza-bicyclo[3.1.0]hex-3-yl)...)
Show SMILES OC(C1CCCCC1)(C(=O)NCC#CCN1CC2CC2C1)c1ccccc1
Show InChI InChI=1S/C23H30N2O2/c26-22(24-13-7-8-14-25-16-18-15-19(18)17-25)23(27,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1,3-4,9-10,18-19,21,27H,2,5-6,11-17H2,(H,24,26)
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3.58E+3n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for rat Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 15: 2093-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.036
BindingDB Entry DOI: 10.7270/Q2DJ5F4X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50165011
PNG
((1R,5S)-3-[3-(2-Benzyloxy-5-methyl-phenyl)-3-pheny...)
Show SMILES CC1[C@@H]2C[C@@H]2CN1CCC(c1ccccc1)c1cc(C)ccc1OCc1ccccc1
Show InChI InChI=1S/C29H33NO/c1-21-13-14-29(31-20-23-9-5-3-6-10-23)28(17-21)26(24-11-7-4-8-12-24)15-16-30-19-25-18-27(25)22(30)2/h3-14,17,22,25-27H,15-16,18-20H2,1-2H3/t22?,25-,26?,27+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for rat Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 15: 2093-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.036
BindingDB Entry DOI: 10.7270/Q2DJ5F4X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50165015
PNG
((1R,5S)-3-[3-(2-Benzyloxy-5-methyl-phenyl)-3-pheny...)
Show SMILES Cc1ccc(OCc2ccccc2)c(c1)C(CCN1C[C@@]2(C)C[C@@]2(C)C1)c1ccccc1
Show InChI InChI=1S/C30H35NO/c1-23-14-15-28(32-19-24-10-6-4-7-11-24)27(18-23)26(25-12-8-5-9-13-25)16-17-31-21-29(2)20-30(29,3)22-31/h4-15,18,26H,16-17,19-22H2,1-3H3/t26?,29-,30+
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>1.00E+4n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for rat Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 15: 2093-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.036
BindingDB Entry DOI: 10.7270/Q2DJ5F4X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50165009
PNG
((1R,5S)-3-[3-(2-Benzyloxy-5-methyl-phenyl)-3-pheny...)
Show SMILES Cc1ccc(OCc2ccccc2)c(c1)C(CCN1C[C@@H]2C[C@@H]2C1)c1ccccc1
Show InChI InChI=1S/C28H31NO/c1-21-12-13-28(30-20-22-8-4-2-5-9-22)27(16-21)26(23-10-6-3-7-11-23)14-15-29-18-24-17-25(24)19-29/h2-13,16,24-26H,14-15,17-20H2,1H3/t24-,25+,26?
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>1.00E+4n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for rat Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 15: 2093-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.036
BindingDB Entry DOI: 10.7270/Q2DJ5F4X
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50165015
PNG
((1R,5S)-3-[3-(2-Benzyloxy-5-methyl-phenyl)-3-pheny...)
Show SMILES Cc1ccc(OCc2ccccc2)c(c1)C(CCN1C[C@@]2(C)C[C@@]2(C)C1)c1ccccc1
Show InChI InChI=1S/C30H35NO/c1-23-14-15-28(32-19-24-10-6-4-7-11-24)27(18-23)26(25-12-8-5-9-13-25)16-17-31-21-29(2)20-30(29,3)22-31/h4-15,18,26H,16-17,19-22H2,1-3H3/t26?,29-,30+
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UniChem

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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for rat Muscarinic acetylcholine receptor M3


Bioorg Med Chem Lett 15: 2093-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.036
BindingDB Entry DOI: 10.7270/Q2DJ5F4X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%