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Compile Data Set for Download or QSAR

Found 183 hits of ec50 for UniProtKB: P08482   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic receptor M1 and M2


(RAT)
BDBM261732
PNG
(1-fluoro-N- ((3RS,4SR)-3- hydroxytetrahydro- 2H-py...)
Show SMILES Cn1cc(cn1)-c1ccc(Cc2cc(C(=O)N[C@H]3CCOC[C@@H]3O)c(F)c3ccccc23)cn1 |r|
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n/an/an/an/a 2n/an/an/an/a



HOFFMANN-LA-ROCHE INC.

US Patent




US Patent US9708302 (2017)


BindingDB Entry DOI: 10.7270/Q2BV7JMP
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(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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n/an/an/an/a 2.40n/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL




J Med Chem 35: 911-6 (1992)


BindingDB Entry DOI: 10.7270/Q2S75F81
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM261732
PNG
(1-fluoro-N- ((3RS,4SR)-3- hydroxytetrahydro- 2H-py...)
Show SMILES Cn1cc(cn1)-c1ccc(Cc2cc(C(=O)N[C@H]3CCOC[C@@H]3O)c(F)c3ccccc23)cn1 |r|
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n/an/an/an/a 6n/an/an/an/a



HOFFMANN-LA-ROCHE INC.

US Patent




US Patent US9708302 (2017)


BindingDB Entry DOI: 10.7270/Q2BV7JMP
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(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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n/an/an/an/a 7n/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL




J Med Chem 35: 911-6 (1992)


BindingDB Entry DOI: 10.7270/Q2S75F81
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50112163
PNG
(CHEMBL3608419)
Show SMILES Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3COCC[C@@H]3O)c3ncccc23)cc1 |r|
Show InChI InChI=1/C24H25N5O3/c1-28-13-18(11-26-28)17-6-4-16(5-7-17)12-29-14-19(23-21(29)3-2-9-25-23)24(31)27-20-15-32-10-8-22(20)30/h2-7,9,11,13-14,20,22,30H,8,10,12,15H2,1H3,(H,27,31)/t20-,22-/s2
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n/an/an/an/a 14n/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FLIP...


ACS Med Chem Lett 6: 726-8 (2015)


BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM261731
PNG
(1-Fluoro-N-((1S,2S)-2-hydroxycyclohexyl)-4-((6-(1-...)
Show SMILES Cn1cc(cn1)-c1ccc(Cc2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c(F)c3ccccc23)cn1 |r|
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n/an/an/an/a 14n/an/an/an/a



HOFFMANN-LA-ROCHE INC.

US Patent




US Patent US9708302 (2017)


BindingDB Entry DOI: 10.7270/Q2BV7JMP
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM261728
PNG
(1-fluoro-4-(2-fluoro- 4-(1-methyl-1H- pyrazol-4- y...)
Show SMILES Cn1cc(cn1)-c1ccc(Cc2cc(C(=O)N[C@H]3CCOC[C@@H]3O)c(F)c3ccccc23)c(F)c1 |r|
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n/an/an/an/a 14n/an/an/an/a



HOFFMANN-LA-ROCHE INC.

US Patent




US Patent US9708302 (2017)


BindingDB Entry DOI: 10.7270/Q2BV7JMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50112165
PNG
(CHEMBL3608421)
Show SMILES Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3COCC[C@@H]3O)c3ncccc23)cc1F |r|
Show InChI InChI=1/C24H24FN5O3/c1-29-12-16(10-27-29)17-5-4-15(9-19(17)25)11-30-13-18(23-21(30)3-2-7-26-23)24(32)28-20-14-33-8-6-22(20)31/h2-5,7,9-10,12-13,20,22,31H,6,8,11,14H2,1H3,(H,28,32)/t20-,22-/s2
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n/an/an/an/a 18n/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FLIP...


ACS Med Chem Lett 6: 726-8 (2015)


BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50112166
PNG
(CHEMBL3608422)
Show SMILES CNC(=O)c1ccc(Cn2cc(C(=O)N[C@H]3COCC[C@@H]3O)c3ncccc23)cc1 |r|
Show InChI InChI=1/C22H24N4O4/c1-23-21(28)15-6-4-14(5-7-15)11-26-12-16(20-18(26)3-2-9-24-20)22(29)25-17-13-30-10-8-19(17)27/h2-7,9,12,17,19,27H,8,10-11,13H2,1H3,(H,23,28)(H,25,29)/t17-,19-/s2
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n/an/an/an/a 18n/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FLIP...


ACS Med Chem Lett 6: 726-8 (2015)


BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM261730
PNG
(1-fluoro-N- ((3RS,4SR)-3- hydroxytetrahydro- 2H-py...)
Show SMILES Cn1cc(cn1)-c1ccc(Cc2cc(C(=O)N[C@H]3CCOC[C@@H]3O)c(F)c3ccccc23)cc1 |r|
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n/an/an/an/a 20n/an/an/an/a



HOFFMANN-LA-ROCHE INC.

US Patent




US Patent US9708302 (2017)


BindingDB Entry DOI: 10.7270/Q2BV7JMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50064609
PNG
(6-acetoxy-8-azonia-bicyclo[3.2.1]octane | Acetic a...)
Show SMILES CC(=O)OC1CC2CCCC1N2 |TLB:3:4:11:9.8.7|
Show InChI InChI=1S/C9H15NO2/c1-6(11)12-9-5-7-3-2-4-8(9)10-7/h7-10H,2-5H2,1H3
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n/an/an/an/a 23n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against stimulation of [3H]inositol monophosphate accumulation in [3H]inositol-labelled CHO transfected cells mediated by Muscari...


J Med Chem 41: 2047-55 (1998)


Article DOI: 10.1021/jm9705115
BindingDB Entry DOI: 10.7270/Q2B27VZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50112162
PNG
(CHEMBL3608413)
Show SMILES Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ncccc23)c(F)c1 |r|
Show InChI InChI=1/C25H26FN5O2/c1-30-13-18(12-28-30)16-8-9-17(20(26)11-16)14-31-15-19(24-22(31)6-4-10-27-24)25(33)29-21-5-2-3-7-23(21)32/h4,6,8-13,15,21,23,32H,2-3,5,7,14H2,1H3,(H,29,33)/t21-,23-/s2
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n/an/an/an/a 35n/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FLIP...


ACS Med Chem Lett 6: 726-8 (2015)


BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM261736
PNG
(1-fluoro-N- ((1SR,2RS)-2- hydroxy-2- methylcyclohe...)
Show SMILES Cn1cc(cn1)-c1ccc(Cc2cc(C(=O)N[C@H]3CCCC[C@@]3(C)O)c(F)c3ccccc23)cn1 |r|
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n/an/an/an/a 41n/an/an/an/a



HOFFMANN-LA-ROCHE INC.

US Patent




US Patent US9708302 (2017)


BindingDB Entry DOI: 10.7270/Q2BV7JMP
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM261735
PNG
(1-fluoro-N-((3S,4S)-4- hydroxytetrahydro-2H- pyran...)
Show SMILES Cn1cc(cn1)-c1ccc(Cc2cc(C(=O)N[C@H]3COCC[C@@H]3O)c(F)c3ccccc23)cn1 |r|
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n/an/an/an/a 48n/an/an/an/a



HOFFMANN-LA-ROCHE INC.

US Patent




US Patent US9708302 (2017)


BindingDB Entry DOI: 10.7270/Q2BV7JMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50112158
PNG
(CHEMBL3608417)
Show SMILES Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3COCC[C@@H]3O)c3ncccc23)c(F)c1 |r|
Show InChI InChI=1/C24H24FN5O3/c1-29-11-17(10-27-29)15-4-5-16(19(25)9-15)12-30-13-18(23-21(30)3-2-7-26-23)24(32)28-20-14-33-8-6-22(20)31/h2-5,7,9-11,13,20,22,31H,6,8,12,14H2,1H3,(H,28,32)/t20-,22-/s2
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n/an/an/an/a 51n/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FLIP...


ACS Med Chem Lett 6: 726-8 (2015)


BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM261716
PNG
(4-((6-chloropyridin-3- yl)methyl)-1-fluoro-N- ((3R...)
Show SMILES O[C@H]1COCC[C@@H]1NC(=O)c1cc(Cc2ccc(Cl)nc2)c2ccccc2c1F |r|
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n/an/an/an/a 52n/an/an/an/a



HOFFMANN-LA-ROCHE INC.

US Patent




US Patent US9708302 (2017)


BindingDB Entry DOI: 10.7270/Q2BV7JMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50112161
PNG
(CHEMBL3608414)
Show SMILES Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3CCOC[C@@H]3O)c3ncccc23)c(F)c1 |r|
Show InChI InChI=1/C24H24FN5O3/c1-29-11-17(10-27-29)15-4-5-16(19(25)9-15)12-30-13-18(23-21(30)3-2-7-26-23)24(32)28-20-6-8-33-14-22(20)31/h2-5,7,9-11,13,20,22,31H,6,8,12,14H2,1H3,(H,28,32)/t20-,22-/s2
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n/an/an/an/a 59n/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FLIP...


ACS Med Chem Lett 6: 726-8 (2015)


BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50356968
PNG
(CHEMBL1916225)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccc(F)cc1C |r|
Show InChI InChI=1S/C21H30FN3O3/c1-3-28-21(27)24-11-8-18(9-12-24)25-10-4-5-17(14-25)23-20(26)19-7-6-16(22)13-15(19)2/h6-7,13,17-18H,3-5,8-12,14H2,1-2H3,(H,23,26)/t17-/m1/s1
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n/an/an/an/a 60n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M1 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50112159
PNG
(CHEMBL3608416)
Show SMILES Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3CCOC[C@@]3(C)O)c3ncccc23)c(F)c1 |r|
Show InChI InChI=1/C25H26FN5O3/c1-25(33)15-34-9-7-22(25)29-24(32)19-14-31(21-4-3-8-27-23(19)21)13-17-6-5-16(10-20(17)26)18-11-28-30(2)12-18/h3-6,8,10-12,14,22,33H,7,9,13,15H2,1-2H3,(H,29,32)/t22-,25+/s2
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n/an/an/an/a 63n/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FLIP...


ACS Med Chem Lett 6: 726-8 (2015)


BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM261727
PNG
(4-(4-cyanobenzyl)- 1-fluoro-N- ((3RS,4SR)-3- hydro...)
Show SMILES O[C@H]1COCC[C@@H]1NC(=O)c1cc(Cc2ccc(cc2)C#N)c2ccccc2c1F |r|
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n/an/an/an/a 71n/an/an/an/a



HOFFMANN-LA-ROCHE INC.

US Patent




US Patent US9708302 (2017)


BindingDB Entry DOI: 10.7270/Q2BV7JMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50112164
PNG
(CHEMBL3608420)
Show SMILES Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3COCC[C@@H]3O)c3ncccc23)cn1 |r|
Show InChI InChI=1/C23H24N6O3/c1-28-12-16(10-26-28)18-5-4-15(9-25-18)11-29-13-17(22-20(29)3-2-7-24-22)23(31)27-19-14-32-8-6-21(19)30/h2-5,7,9-10,12-13,19,21,30H,6,8,11,14H2,1H3,(H,27,31)/t19-,21-/s2
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n/an/an/an/a 71n/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FLIP...


ACS Med Chem Lett 6: 726-8 (2015)


BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50112160
PNG
(CHEMBL3608415)
Show SMILES Cn1cc(cn1)-c1ccc(Cn2nc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ncccc23)c(F)c1 |r|
Show InChI InChI=1/C24H25FN6O2/c1-30-13-17(12-27-30)15-8-9-16(18(25)11-15)14-31-20-6-4-10-26-22(20)23(29-31)24(33)28-19-5-2-3-7-21(19)32/h4,6,8-13,19,21,32H,2-3,5,7,14H2,1H3,(H,28,33)/t19-,21-/s2
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n/an/an/an/a 72n/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FLIP...


ACS Med Chem Lett 6: 726-8 (2015)


BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50263887
PNG
(1-(1'-(2-methylbenzyl)-1,4'-bipiperidin-4-yl)-1H-b...)
Show SMILES Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C25H32N4O/c1-19-6-2-3-7-20(19)18-27-14-10-21(11-15-27)28-16-12-22(13-17-28)29-24-9-5-4-8-23(24)26-25(29)30/h2-9,21-22H,10-18H2,1H3,(H,26,30)
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n/an/an/an/a 80n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Partial agonist activity at rat muscarinic M1 receptor expressed in CHO cells calcium response


Bioorg Med Chem Lett 23: 223-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.132
BindingDB Entry DOI: 10.7270/Q2TM7CF9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50263887
PNG
(1-(1'-(2-methylbenzyl)-1,4'-bipiperidin-4-yl)-1H-b...)
Show SMILES Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C25H32N4O/c1-19-6-2-3-7-20(19)18-27-14-10-21(11-15-27)28-16-12-22(13-17-28)29-24-9-5-4-8-23(24)26-25(29)30/h2-9,21-22H,10-18H2,1H3,(H,26,30)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Partial agonist activity at rat muscarinic M1 receptor expressed in CHO cells calcium response


Bioorg Med Chem Lett 23: 223-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.132
BindingDB Entry DOI: 10.7270/Q2TM7CF9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(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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n/an/an/an/a 90n/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested in vitro for depolarizing response on the rat superior cervical ganglion(mediated by Muscarinic M1 receptor)


J Med Chem 35: 911-6 (1992)


BindingDB Entry DOI: 10.7270/Q2S75F81
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM261733
PNG
(1-fluoro-N-[(3S,4R)- 3-hydroxytetra- hydropyran-4-...)
Show SMILES Cn1cc(cn1)-c1ccc(Cc2cc(C(=O)N[C@@H]3CCOC[C@H]3O)c(F)c3ccccc23)cn1 |r|
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HOFFMANN-LA-ROCHE INC.

US Patent




US Patent US9708302 (2017)


BindingDB Entry DOI: 10.7270/Q2BV7JMP
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM261715
PNG
(4-((6-Chloropyridin-3-yl)methyl)-1-fluoro-N-((1SR,...)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cc(Cc2ccc(Cl)nc2)c2ccccc2c1F |r|
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HOFFMANN-LA-ROCHE INC.

US Patent




US Patent US9708302 (2017)


BindingDB Entry DOI: 10.7270/Q2BV7JMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50005364
PNG
((3S,4R)3-Methyl-3-(3-methyl-[1,2,4]oxadiazol-5-yl)...)
Show SMILES Cc1noc(n1)C1(C)CN2CCC1C2 |TLB:4:6:13:11.10,THB:7:6:13:11.10|
Show InChI InChI=1S/C10H15N3O/c1-7-11-9(14-12-7)10(2)6-13-4-3-8(10)5-13/h8H,3-6H2,1-2H3
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested in vitro for depolarizing response on the rat superior cervical ganglion(mediated by muscarinic acetylcholine receptor M1)


J Med Chem 35: 911-6 (1992)


BindingDB Entry DOI: 10.7270/Q2S75F81
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50356969
PNG
(CHEMBL1916226)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C20H29N3O3/c1-2-26-20(25)22-13-10-18(11-14-22)23-12-6-9-17(15-23)21-19(24)16-7-4-3-5-8-16/h3-5,7-8,17-18H,2,6,9-15H2,1H3,(H,21,24)/t17-/m1/s1
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Partial agonist activity at rat muscarinic M1 receptor expressed in CHO cells calcium response


Bioorg Med Chem Lett 23: 223-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.132
BindingDB Entry DOI: 10.7270/Q2TM7CF9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50356966
PNG
(CHEMBL1916224)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccccc1C |r|
Show InChI InChI=1S/C21H31N3O3/c1-3-27-21(26)23-13-10-18(11-14-23)24-12-6-8-17(15-24)22-20(25)19-9-5-4-7-16(19)2/h4-5,7,9,17-18H,3,6,8,10-15H2,1-2H3,(H,22,25)/t17-/m1/s1
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M1 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM261716
PNG
(4-((6-chloropyridin-3- yl)methyl)-1-fluoro-N- ((3R...)
Show SMILES O[C@H]1COCC[C@@H]1NC(=O)c1cc(Cc2ccc(Cl)nc2)c2ccccc2c1F |r|
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HOFFMANN-LA-ROCHE INC.

US Patent




US Patent US9708302 (2017)


BindingDB Entry DOI: 10.7270/Q2BV7JMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50356969
PNG
(CHEMBL1916226)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C20H29N3O3/c1-2-26-20(25)22-13-10-18(11-14-22)23-12-6-9-17(15-23)21-19(24)16-7-4-3-5-8-16/h3-5,7-8,17-18H,2,6,9-15H2,1H3,(H,21,24)/t17-/m1/s1
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M1 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM261715
PNG
(4-((6-Chloropyridin-3-yl)methyl)-1-fluoro-N-((1SR,...)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cc(Cc2ccc(Cl)nc2)c2ccccc2c1F |r|
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HOFFMANN-LA-ROCHE INC.

US Patent




US Patent US9708302 (2017)


BindingDB Entry DOI: 10.7270/Q2BV7JMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50356970
PNG
(CHEMBL1916227)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1cccc(F)c1 |r|
Show InChI InChI=1S/C20H28FN3O3/c1-2-27-20(26)23-11-8-18(9-12-23)24-10-4-7-17(14-24)22-19(25)15-5-3-6-16(21)13-15/h3,5-6,13,17-18H,2,4,7-12,14H2,1H3,(H,22,25)/t17-/m1/s1
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M1 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM43821
PNG
(4-(2-benzamidoethylamino)-1-piperidinecarboxylic a...)
Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1
Show InChI InChI=1S/C17H25N3O3/c1-2-23-17(22)20-12-8-15(9-13-20)18-10-11-19-16(21)14-6-4-3-5-7-14/h3-7,15,18H,2,8-13H2,1H3,(H,19,21)
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Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of novel allosteric modulators of the M1 mus...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2KD1W96
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM44250
PNG
(4-[2-[(4-fluorobenzoyl)amino]ethylamino]piperidine...)
Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H24FN3O3/c1-2-24-17(23)21-11-7-15(8-12-21)19-9-10-20-16(22)13-3-5-14(18)6-4-13/h3-6,15,19H,2,7-12H2,1H3,(H,20,22)
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n/an/an/an/a 154n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of novel allosteric modulators of the M1 mus...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2KD1W96
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM44251
PNG
(4-[2-[(3-fluorobenzoyl)amino]ethylamino]piperidine...)
Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1cccc(F)c1
Show InChI InChI=1S/C17H24FN3O3/c1-2-24-17(23)21-10-6-15(7-11-21)19-8-9-20-16(22)13-4-3-5-14(18)12-13/h3-5,12,15,19H,2,6-11H2,1H3,(H,20,22)
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Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of novel allosteric modulators of the M1 mus...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2KD1W96
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50112157
PNG
(CHEMBL3608418)
Show SMILES Cn1ncc2cc(Cn3cc(C(=O)N[C@H]4COCC[C@@H]4O)c4ncccc34)ccc12 |r|
Show InChI InChI=1/C22H23N5O3/c1-26-18-5-4-14(9-15(18)10-24-26)11-27-12-16(21-19(27)3-2-7-23-21)22(29)25-17-13-30-8-6-20(17)28/h2-5,7,9-10,12,17,20,28H,6,8,11,13H2,1H3,(H,25,29)/t17-,20-/s2
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Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FLIP...


ACS Med Chem Lett 6: 726-8 (2015)


BindingDB Entry DOI: 10.7270/Q26W9CVM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM43822
PNG
(4-[2-(o-toluoylamino)ethylamino]piperidine-1-carbo...)
Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1C
Show InChI InChI=1S/C18H27N3O3/c1-3-24-18(23)21-12-8-15(9-13-21)19-10-11-20-17(22)16-7-5-4-6-14(16)2/h4-7,15,19H,3,8-13H2,1-2H3,(H,20,22)
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Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of novel allosteric modulators of the M1 mus...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2KD1W96
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM43822
PNG
(4-[2-(o-toluoylamino)ethylamino]piperidine-1-carbo...)
Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1C
Show InChI InChI=1S/C18H27N3O3/c1-3-24-18(23)21-12-8-15(9-13-21)19-10-11-20-17(22)16-7-5-4-6-14(16)2/h4-7,15,19H,3,8-13H2,1-2H3,(H,20,22)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M1 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM43821
PNG
(4-(2-benzamidoethylamino)-1-piperidinecarboxylic a...)
Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1
Show InChI InChI=1S/C17H25N3O3/c1-2-23-17(22)20-12-8-15(9-13-20)18-10-11-19-16(21)14-6-4-3-5-7-14/h3-7,15,18H,2,8-13H2,1H3,(H,19,21)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Partial agonist activity at rat muscarinic M1 receptor expressed in CHO cells calcium response


Bioorg Med Chem Lett 23: 223-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.132
BindingDB Entry DOI: 10.7270/Q2TM7CF9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM44252
PNG
(4-[2-[(3,4-difluorobenzoyl)amino]ethylamino]piperi...)
Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C17H23F2N3O3/c1-2-25-17(24)22-9-5-13(6-10-22)20-7-8-21-16(23)12-3-4-14(18)15(19)11-12/h3-4,11,13,20H,2,5-10H2,1H3,(H,21,23)
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Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of novel allosteric modulators of the M1 mus...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2KD1W96
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50006243
PNG
(((2S,4R,5S)-4-Hydroxy-5-methyl-tetrahydro-furan-2-...)
Show SMILES C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O
Show InChI InChI=1S/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1/t7-,8-,9+/m0/s1
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National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against stimulation of [3H]inositol monophosphate accumulation in [3H]inositol-labelled CHO transfected cells mediated by Muscari...


J Med Chem 41: 2047-55 (1998)


Article DOI: 10.1021/jm9705115
BindingDB Entry DOI: 10.7270/Q2B27VZZ
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM261724
PNG
(1-Fluoro-N-((3RS,4SR)-3-hydroxytetrahydro-2H-pyran...)
Show SMILES Cc1ccc(Cc2cc(C(=O)N[C@H]3CCOC[C@@H]3O)c(F)c3ccccc23)cc1 |r|
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HOFFMANN-LA-ROCHE INC.

US Patent




US Patent US9708302 (2017)


BindingDB Entry DOI: 10.7270/Q2BV7JMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50356971
PNG
(CHEMBL1916228)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C21H31N3O4/c1-3-28-21(26)23-12-9-18(10-13-23)24-11-5-7-17(15-24)22-20(25)16-6-4-8-19(14-16)27-2/h4,6,8,14,17-18H,3,5,7,9-13,15H2,1-2H3,(H,22,25)/t17-/m1/s1
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M1 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM261726
PNG
(4-(4-chlorobenzyl)- 1-fluoro-N- ((3RS,4SR)-3- hydr...)
Show SMILES O[C@H]1COCC[C@@H]1NC(=O)c1cc(Cc2ccc(Cl)cc2)c2ccccc2c1F |r|
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HOFFMANN-LA-ROCHE INC.

US Patent




US Patent US9708302 (2017)


BindingDB Entry DOI: 10.7270/Q2BV7JMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50356974
PNG
(CHEMBL1916229)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C20H27F2N3O3/c1-2-28-20(27)24-10-7-16(8-11-24)25-9-3-4-15(13-25)23-19(26)14-5-6-17(21)18(22)12-14/h5-6,12,15-16H,2-4,7-11,13H2,1H3,(H,23,26)/t15-/m1/s1
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n/an/an/an/a 310n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M1 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM261740
PNG
(4-((4-Cyano-4-(pyridin-2-yl)piperidin-1-yl)methyl)...)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cc(CN2CCC(CC2)(C#N)c2ccccn2)c2ccccc2c1F |r|
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HOFFMANN-LA-ROCHE INC.

US Patent




US Patent US9708302 (2017)


BindingDB Entry DOI: 10.7270/Q2BV7JMP
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM261738
PNG
(4-((6-Cyclopropylpyridin-3-yl)methyl)-1-fluoro-N-(...)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cc(Cc2ccc(nc2)C2CC2)c2ccccc2c1F |r|
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HOFFMANN-LA-ROCHE INC.

US Patent




US Patent US9708302 (2017)


BindingDB Entry DOI: 10.7270/Q2BV7JMP
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM261725
PNG
(4-benzyl-1-fluoro-N- ((3RS,4SR)-3- hydroxytetrahyd...)
Show SMILES O[C@H]1COCC[C@@H]1NC(=O)c1cc(Cc2ccccc2)c2ccccc2c1F |r|
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UniProtKB/SwissProt

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HOFFMANN-LA-ROCHE INC.

US Patent




US Patent US9708302 (2017)


BindingDB Entry DOI: 10.7270/Q2BV7JMP
More data for this
Ligand-Target Pair
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