Found 62 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50066861
(BA-679-BR | Spiriva | Tiotropium Bromide | Tiotrop...)Show SMILES O.[Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@@]([H])(C[C@@]2([H])[N+]1(C)C)OC(=O)C(O)(c1cccs1)c1cccs1 |r,TLB:4:3:15:10.12.9,4:5:15:10.12.9,18:10:15:3.5| Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13+,16-,17+ | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M1 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50066861
(BA-679-BR | Spiriva | Tiotropium Bromide | Tiotrop...)Show SMILES O.[Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@@]([H])(C[C@@]2([H])[N+]1(C)C)OC(=O)C(O)(c1cccs1)c1cccs1 |r,TLB:4:3:15:10.12.9,4:5:15:10.12.9,18:10:15:3.5| Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13+,16-,17+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M2 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50066866
(CHEMBL3401643)Show SMILES O[C@@](C1CCCC1)(C(=O)N[C@H]1CN2CCC1CC2)c1cccs1 |r,wD:10.10,1.20,(-1.96,.59,;-.74,.79,;.78,1.05,;1.85,-.04,;3.22,.67,;2.97,2.19,;1.44,2.42,;.24,-.4,;1.25,-.23,;-.3,-1.84,;.68,-3.03,;.11,-4.54,;1.15,-5.77,;2.75,-5.49,;3.3,-3.95,;2.27,-2.71,;1.35,-3.62,;2.14,-4.59,;-.2,2.24,;1.05,3.11,;.59,4.58,;-.95,4.59,;-1.44,3.13,)| Show InChI InChI=1S/C18H26N2O2S/c21-17(19-15-12-20-9-7-13(15)8-10-20)18(22,14-4-1-2-5-14)16-6-3-11-23-16/h3,6,11,13-15,22H,1-2,4-5,7-10,12H2,(H,19,21)/t15-,18+/m0/s1 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M1 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50066861
(BA-679-BR | Spiriva | Tiotropium Bromide | Tiotrop...)Show SMILES O.[Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@@]([H])(C[C@@]2([H])[N+]1(C)C)OC(=O)C(O)(c1cccs1)c1cccs1 |r,TLB:4:3:15:10.12.9,4:5:15:10.12.9,18:10:15:3.5| Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13+,16-,17+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M3 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50066859
(CHEMBL3401649)Show SMILES [Br-].OC(C(=O)N[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:6.4,(11.66,-2.25,;-.84,-3.54,;.32,-3.97,;1.5,-2.98,;2.66,-3.41,;1.24,-1.46,;2.43,-.47,;3.99,-1.04,;5.25,.01,;6.45,-.91,;6.25,-2.44,;7.48,-3.38,;7.28,-4.9,;5.93,-5.62,;6.21,-7.13,;7.74,-7.33,;8.4,-5.94,;4.96,1.62,;3.4,2.19,;2.17,1.13,;3.39,1.58,;4.58,1.15,;.58,-5.49,;1.95,-6.15,;1.73,-7.67,;.21,-7.93,;-.5,-6.57,;.06,-2.45,;-1.46,-2.3,;-1.78,-.79,;-.44,-.03,;.7,-1.07,)| Show InChI InChI=1S/C24H28N2O2S3/c27-23(24(28,21-7-3-15-30-21)22-8-4-16-31-22)25-20-17-26(12-9-18(20)10-13-26)11-1-5-19-6-2-14-29-19/h2-4,6-8,14-16,18,20,28H,1,5,9-13,17H2/p+1/t18?,20-,26?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M2 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50066860
(CHEMBL3401648)Show SMILES [Br-].OC(C(=O)N[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:6.4,(12.05,-2.25,;-.84,-3.54,;.32,-3.97,;1.5,-2.98,;2.66,-3.41,;1.24,-1.46,;2.43,-.47,;3.99,-1.04,;5.25,.01,;6.45,-.91,;6.25,-2.44,;7.48,-3.38,;7.28,-4.9,;8.5,-5.84,;8.3,-7.37,;6.88,-7.96,;5.66,-7.02,;5.86,-5.49,;4.96,1.62,;3.4,2.19,;2.17,1.13,;3.39,1.58,;4.58,1.15,;.58,-5.49,;1.95,-6.15,;1.73,-7.67,;.21,-7.93,;-.5,-6.57,;.06,-2.45,;-1.46,-2.3,;-1.78,-.79,;-.44,-.03,;.7,-1.07,)| Show InChI InChI=1S/C26H30N2O2S2/c29-25(26(30,23-10-5-17-31-23)24-11-6-18-32-24)27-22-19-28(15-12-21(22)13-16-28)14-4-9-20-7-2-1-3-8-20/h1-3,5-8,10-11,17-18,21-22,30H,4,9,12-16,19H2/p+1/t21?,22-,28?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M2 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50066860
(CHEMBL3401648)Show SMILES [Br-].OC(C(=O)N[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:6.4,(12.05,-2.25,;-.84,-3.54,;.32,-3.97,;1.5,-2.98,;2.66,-3.41,;1.24,-1.46,;2.43,-.47,;3.99,-1.04,;5.25,.01,;6.45,-.91,;6.25,-2.44,;7.48,-3.38,;7.28,-4.9,;8.5,-5.84,;8.3,-7.37,;6.88,-7.96,;5.66,-7.02,;5.86,-5.49,;4.96,1.62,;3.4,2.19,;2.17,1.13,;3.39,1.58,;4.58,1.15,;.58,-5.49,;1.95,-6.15,;1.73,-7.67,;.21,-7.93,;-.5,-6.57,;.06,-2.45,;-1.46,-2.3,;-1.78,-.79,;-.44,-.03,;.7,-1.07,)| Show InChI InChI=1S/C26H30N2O2S2/c29-25(26(30,23-10-5-17-31-23)24-11-6-18-32-24)27-22-19-28(15-12-21(22)13-16-28)14-4-9-20-7-2-1-3-8-20/h1-3,5-8,10-11,17-18,21-22,30H,4,9,12-16,19H2/p+1/t21?,22-,28?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M3 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50066859
(CHEMBL3401649)Show SMILES [Br-].OC(C(=O)N[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:6.4,(11.66,-2.25,;-.84,-3.54,;.32,-3.97,;1.5,-2.98,;2.66,-3.41,;1.24,-1.46,;2.43,-.47,;3.99,-1.04,;5.25,.01,;6.45,-.91,;6.25,-2.44,;7.48,-3.38,;7.28,-4.9,;5.93,-5.62,;6.21,-7.13,;7.74,-7.33,;8.4,-5.94,;4.96,1.62,;3.4,2.19,;2.17,1.13,;3.39,1.58,;4.58,1.15,;.58,-5.49,;1.95,-6.15,;1.73,-7.67,;.21,-7.93,;-.5,-6.57,;.06,-2.45,;-1.46,-2.3,;-1.78,-.79,;-.44,-.03,;.7,-1.07,)| Show InChI InChI=1S/C24H28N2O2S3/c27-23(24(28,21-7-3-15-30-21)22-8-4-16-31-22)25-20-17-26(12-9-18(20)10-13-26)11-1-5-19-6-2-14-29-19/h2-4,6-8,14-16,18,20,28H,1,5,9-13,17H2/p+1/t18?,20-,26?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M3 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50066858
(CHEMBL3401650)Show SMILES [Br-].OC(C(=O)N[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:6.4,(12.06,-2.25,;-.84,-3.54,;.32,-3.97,;1.5,-2.98,;2.66,-3.41,;1.24,-1.46,;2.43,-.47,;3.99,-1.04,;5.25,.01,;6.45,-.91,;6.25,-2.44,;7.48,-3.38,;7.28,-4.9,;8.5,-5.84,;8.3,-7.37,;6.88,-7.96,;5.66,-7.02,;5.86,-5.49,;4.96,1.62,;3.4,2.19,;2.17,1.13,;3.39,1.58,;4.58,1.15,;.58,-5.49,;1.95,-6.15,;1.73,-7.67,;.21,-7.93,;-.5,-6.57,;.06,-2.45,;-1.46,-2.3,;-1.78,-.79,;-.44,-.03,;.7,-1.07,)| Show InChI InChI=1S/C25H28N2O3S2/c28-24(25(29,22-8-4-16-31-22)23-9-5-17-32-23)26-21-18-27(12-10-19(21)11-13-27)14-15-30-20-6-2-1-3-7-20/h1-9,16-17,19,21,29H,10-15,18H2/p+1/t19?,21-,27?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M3 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50066854
(CHEMBL3401654)Show SMILES [Br-].O=C(N[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C1c2ccccc2Oc2ccccc12 |r,wU:4.2,(6.57,3.56,;-1.05,3.71,;.01,3.08,;1.35,3.84,;1.36,5.38,;-.06,6.22,;-.03,7.86,;-1.51,8.21,;-2.57,7.1,;-4.07,7.45,;-5.13,6.34,;-6.63,6.7,;-7.69,5.58,;-9.19,5.94,;-9.62,7.42,;-8.56,8.54,;-7.06,8.17,;1.4,8.66,;2.82,7.8,;2.78,6.18,;2.35,7.41,;1.27,8.06,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.31,.77,)| Show InChI InChI=1S/C30H32N2O3/c33-30(29-24-11-4-6-13-27(24)35-28-14-7-5-12-25(28)29)31-26-21-32(18-15-22(26)16-19-32)17-8-20-34-23-9-2-1-3-10-23/h1-7,9-14,22,26,29H,8,15-21H2/p+1/t22?,26-,32?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M3 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50066850
(CHEMBL3401641)Show SMILES OC(C(=O)N[C@H]1CN2CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(-1.32,.06,;-1.75,-1.1,;-.77,-2.29,;-1.2,-3.44,;.75,-2.03,;1.73,-3.23,;1.16,-4.74,;2.21,-5.97,;3.8,-5.68,;4.36,-4.15,;3.32,-2.91,;2.4,-3.81,;3.19,-4.79,;-3.27,-1.35,;-4.35,-.27,;-5.71,-.97,;-5.46,-2.49,;-3.94,-2.72,;-.23,-.84,;1.15,-1.49,;2.19,-.36,;1.43,.98,;-.08,.68,)| Show InChI InChI=1S/C17H20N2O2S2/c20-16(18-13-11-19-7-5-12(13)6-8-19)17(21,14-3-1-9-22-14)15-4-2-10-23-15/h1-4,9-10,12-13,21H,5-8,11H2,(H,18,20)/t13-/m0/s1 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M1 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50066858
(CHEMBL3401650)Show SMILES [Br-].OC(C(=O)N[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:6.4,(12.06,-2.25,;-.84,-3.54,;.32,-3.97,;1.5,-2.98,;2.66,-3.41,;1.24,-1.46,;2.43,-.47,;3.99,-1.04,;5.25,.01,;6.45,-.91,;6.25,-2.44,;7.48,-3.38,;7.28,-4.9,;8.5,-5.84,;8.3,-7.37,;6.88,-7.96,;5.66,-7.02,;5.86,-5.49,;4.96,1.62,;3.4,2.19,;2.17,1.13,;3.39,1.58,;4.58,1.15,;.58,-5.49,;1.95,-6.15,;1.73,-7.67,;.21,-7.93,;-.5,-6.57,;.06,-2.45,;-1.46,-2.3,;-1.78,-.79,;-.44,-.03,;.7,-1.07,)| Show InChI InChI=1S/C25H28N2O3S2/c28-24(25(29,22-8-4-16-31-22)23-9-5-17-32-23)26-21-18-27(12-10-19(21)11-13-27)14-15-30-20-6-2-1-3-7-20/h1-9,16-17,19,21,29H,10-15,18H2/p+1/t19?,21-,27?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M2 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50066859
(CHEMBL3401649)Show SMILES [Br-].OC(C(=O)N[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:6.4,(11.66,-2.25,;-.84,-3.54,;.32,-3.97,;1.5,-2.98,;2.66,-3.41,;1.24,-1.46,;2.43,-.47,;3.99,-1.04,;5.25,.01,;6.45,-.91,;6.25,-2.44,;7.48,-3.38,;7.28,-4.9,;5.93,-5.62,;6.21,-7.13,;7.74,-7.33,;8.4,-5.94,;4.96,1.62,;3.4,2.19,;2.17,1.13,;3.39,1.58,;4.58,1.15,;.58,-5.49,;1.95,-6.15,;1.73,-7.67,;.21,-7.93,;-.5,-6.57,;.06,-2.45,;-1.46,-2.3,;-1.78,-.79,;-.44,-.03,;.7,-1.07,)| Show InChI InChI=1S/C24H28N2O2S3/c27-23(24(28,21-7-3-15-30-21)22-8-4-16-31-22)25-20-17-26(12-9-18(20)10-13-26)11-1-5-19-6-2-14-29-19/h2-4,6-8,14-16,18,20,28H,1,5,9-13,17H2/p+1/t18?,20-,26?/m0/s1 | UniProtKB/SwissProt
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Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M1 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50066860
(CHEMBL3401648)Show SMILES [Br-].OC(C(=O)N[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:6.4,(12.05,-2.25,;-.84,-3.54,;.32,-3.97,;1.5,-2.98,;2.66,-3.41,;1.24,-1.46,;2.43,-.47,;3.99,-1.04,;5.25,.01,;6.45,-.91,;6.25,-2.44,;7.48,-3.38,;7.28,-4.9,;8.5,-5.84,;8.3,-7.37,;6.88,-7.96,;5.66,-7.02,;5.86,-5.49,;4.96,1.62,;3.4,2.19,;2.17,1.13,;3.39,1.58,;4.58,1.15,;.58,-5.49,;1.95,-6.15,;1.73,-7.67,;.21,-7.93,;-.5,-6.57,;.06,-2.45,;-1.46,-2.3,;-1.78,-.79,;-.44,-.03,;.7,-1.07,)| Show InChI InChI=1S/C26H30N2O2S2/c29-25(26(30,23-10-5-17-31-23)24-11-6-18-32-24)27-22-19-28(15-12-21(22)13-16-28)14-4-9-20-7-2-1-3-8-20/h1-3,5-8,10-11,17-18,21-22,30H,4,9,12-16,19H2/p+1/t21?,22-,28?/m0/s1 | UniProtKB/SwissProt
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Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M1 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50066866
(CHEMBL3401643)Show SMILES O[C@@](C1CCCC1)(C(=O)N[C@H]1CN2CCC1CC2)c1cccs1 |r,wD:10.10,1.20,(-1.96,.59,;-.74,.79,;.78,1.05,;1.85,-.04,;3.22,.67,;2.97,2.19,;1.44,2.42,;.24,-.4,;1.25,-.23,;-.3,-1.84,;.68,-3.03,;.11,-4.54,;1.15,-5.77,;2.75,-5.49,;3.3,-3.95,;2.27,-2.71,;1.35,-3.62,;2.14,-4.59,;-.2,2.24,;1.05,3.11,;.59,4.58,;-.95,4.59,;-1.44,3.13,)| Show InChI InChI=1S/C18H26N2O2S/c21-17(19-15-12-20-9-7-13(15)8-10-20)18(22,14-4-1-2-5-14)16-6-3-11-23-16/h3,6,11,13-15,22H,1-2,4-5,7-10,12H2,(H,19,21)/t15-,18+/m0/s1 | PDB
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| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M3 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50066850
(CHEMBL3401641)Show SMILES OC(C(=O)N[C@H]1CN2CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(-1.32,.06,;-1.75,-1.1,;-.77,-2.29,;-1.2,-3.44,;.75,-2.03,;1.73,-3.23,;1.16,-4.74,;2.21,-5.97,;3.8,-5.68,;4.36,-4.15,;3.32,-2.91,;2.4,-3.81,;3.19,-4.79,;-3.27,-1.35,;-4.35,-.27,;-5.71,-.97,;-5.46,-2.49,;-3.94,-2.72,;-.23,-.84,;1.15,-1.49,;2.19,-.36,;1.43,.98,;-.08,.68,)| Show InChI InChI=1S/C17H20N2O2S2/c20-16(18-13-11-19-7-5-12(13)6-8-19)17(21,14-3-1-9-22-14)15-4-2-10-23-15/h1-4,9-10,12-13,21H,5-8,11H2,(H,18,20)/t13-/m0/s1 | PDB
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Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M2 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50021892
(Ipratropium Bromide)Show SMILES [Br-].[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)c1ccccc1)[N+]2(C)C(C)C |TLB:10:8:22:4.3,23:22:8.7.9:4.3,THB:24:22:8.7.9:4.3| Show InChI InChI=1S/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17+,18+,19?,21?; | PDB
Reactome pathway
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| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M3 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50021892
(Ipratropium Bromide)Show SMILES [Br-].[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)c1ccccc1)[N+]2(C)C(C)C |TLB:10:8:22:4.3,23:22:8.7.9:4.3,THB:24:22:8.7.9:4.3| Show InChI InChI=1S/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17+,18+,19?,21?; | PDB
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Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M2 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50066857
(CHEMBL3401651)Show SMILES [Br-].OC(C(=O)N[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:6.4,(14.66,-2.25,;-.84,-3.54,;.32,-3.97,;1.5,-2.98,;2.66,-3.41,;1.24,-1.46,;2.43,-.47,;3.99,-1.04,;5.25,.01,;6.45,-.91,;6.25,-2.44,;7.48,-3.38,;7.28,-4.9,;8.51,-5.84,;8.31,-7.37,;9.54,-8.3,;10.96,-7.7,;11.15,-6.18,;9.93,-5.24,;4.96,1.62,;3.4,2.19,;2.17,1.13,;3.39,1.58,;4.58,1.15,;.58,-5.49,;1.95,-6.15,;1.73,-7.67,;.21,-7.93,;-.5,-6.57,;.06,-2.45,;-1.46,-2.3,;-1.78,-.79,;-.44,-.03,;.7,-1.07,)| Show InChI InChI=1S/C26H30N2O3S2/c29-25(26(30,23-9-4-17-32-23)24-10-5-18-33-24)27-22-19-28(14-11-20(22)12-15-28)13-6-16-31-21-7-2-1-3-8-21/h1-5,7-10,17-18,20,22,30H,6,11-16,19H2/p+1/t20?,22-,28?/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M3 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50066858
(CHEMBL3401650)Show SMILES [Br-].OC(C(=O)N[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:6.4,(12.06,-2.25,;-.84,-3.54,;.32,-3.97,;1.5,-2.98,;2.66,-3.41,;1.24,-1.46,;2.43,-.47,;3.99,-1.04,;5.25,.01,;6.45,-.91,;6.25,-2.44,;7.48,-3.38,;7.28,-4.9,;8.5,-5.84,;8.3,-7.37,;6.88,-7.96,;5.66,-7.02,;5.86,-5.49,;4.96,1.62,;3.4,2.19,;2.17,1.13,;3.39,1.58,;4.58,1.15,;.58,-5.49,;1.95,-6.15,;1.73,-7.67,;.21,-7.93,;-.5,-6.57,;.06,-2.45,;-1.46,-2.3,;-1.78,-.79,;-.44,-.03,;.7,-1.07,)| Show InChI InChI=1S/C25H28N2O3S2/c28-24(25(29,22-8-4-16-31-22)23-9-5-17-32-23)26-21-18-27(12-10-19(21)11-13-27)14-15-30-20-6-2-1-3-7-20/h1-9,16-17,19,21,29H,10-15,18H2/p+1/t19?,21-,27?/m0/s1 | UniProtKB/SwissProt
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Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M1 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50066850
(CHEMBL3401641)Show SMILES OC(C(=O)N[C@H]1CN2CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(-1.32,.06,;-1.75,-1.1,;-.77,-2.29,;-1.2,-3.44,;.75,-2.03,;1.73,-3.23,;1.16,-4.74,;2.21,-5.97,;3.8,-5.68,;4.36,-4.15,;3.32,-2.91,;2.4,-3.81,;3.19,-4.79,;-3.27,-1.35,;-4.35,-.27,;-5.71,-.97,;-5.46,-2.49,;-3.94,-2.72,;-.23,-.84,;1.15,-1.49,;2.19,-.36,;1.43,.98,;-.08,.68,)| Show InChI InChI=1S/C17H20N2O2S2/c20-16(18-13-11-19-7-5-12(13)6-8-19)17(21,14-3-1-9-22-14)15-4-2-10-23-15/h1-4,9-10,12-13,21H,5-8,11H2,(H,18,20)/t13-/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M3 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50021892
(Ipratropium Bromide)Show SMILES [Br-].[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)c1ccccc1)[N+]2(C)C(C)C |TLB:10:8:22:4.3,23:22:8.7.9:4.3,THB:24:22:8.7.9:4.3| Show InChI InChI=1S/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17+,18+,19?,21?; | UniProtKB/SwissProt
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Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M1 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50066866
(CHEMBL3401643)Show SMILES O[C@@](C1CCCC1)(C(=O)N[C@H]1CN2CCC1CC2)c1cccs1 |r,wD:10.10,1.20,(-1.96,.59,;-.74,.79,;.78,1.05,;1.85,-.04,;3.22,.67,;2.97,2.19,;1.44,2.42,;.24,-.4,;1.25,-.23,;-.3,-1.84,;.68,-3.03,;.11,-4.54,;1.15,-5.77,;2.75,-5.49,;3.3,-3.95,;2.27,-2.71,;1.35,-3.62,;2.14,-4.59,;-.2,2.24,;1.05,3.11,;.59,4.58,;-.95,4.59,;-1.44,3.13,)| Show InChI InChI=1S/C18H26N2O2S/c21-17(19-15-12-20-9-7-13(15)8-10-20)18(22,14-4-1-2-5-14)16-6-3-11-23-16/h3,6,11,13-15,22H,1-2,4-5,7-10,12H2,(H,19,21)/t15-,18+/m0/s1 | PDB
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| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M2 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50066857
(CHEMBL3401651)Show SMILES [Br-].OC(C(=O)N[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:6.4,(14.66,-2.25,;-.84,-3.54,;.32,-3.97,;1.5,-2.98,;2.66,-3.41,;1.24,-1.46,;2.43,-.47,;3.99,-1.04,;5.25,.01,;6.45,-.91,;6.25,-2.44,;7.48,-3.38,;7.28,-4.9,;8.51,-5.84,;8.31,-7.37,;9.54,-8.3,;10.96,-7.7,;11.15,-6.18,;9.93,-5.24,;4.96,1.62,;3.4,2.19,;2.17,1.13,;3.39,1.58,;4.58,1.15,;.58,-5.49,;1.95,-6.15,;1.73,-7.67,;.21,-7.93,;-.5,-6.57,;.06,-2.45,;-1.46,-2.3,;-1.78,-.79,;-.44,-.03,;.7,-1.07,)| Show InChI InChI=1S/C26H30N2O3S2/c29-25(26(30,23-9-4-17-32-23)24-10-5-18-33-24)27-22-19-28(14-11-20(22)12-15-28)13-6-16-31-21-7-2-1-3-8-21/h1-5,7-10,17-18,20,22,30H,6,11-16,19H2/p+1/t20?,22-,28?/m0/s1 | UniProtKB/SwissProt
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| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M1 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50066857
(CHEMBL3401651)Show SMILES [Br-].OC(C(=O)N[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:6.4,(14.66,-2.25,;-.84,-3.54,;.32,-3.97,;1.5,-2.98,;2.66,-3.41,;1.24,-1.46,;2.43,-.47,;3.99,-1.04,;5.25,.01,;6.45,-.91,;6.25,-2.44,;7.48,-3.38,;7.28,-4.9,;8.51,-5.84,;8.31,-7.37,;9.54,-8.3,;10.96,-7.7,;11.15,-6.18,;9.93,-5.24,;4.96,1.62,;3.4,2.19,;2.17,1.13,;3.39,1.58,;4.58,1.15,;.58,-5.49,;1.95,-6.15,;1.73,-7.67,;.21,-7.93,;-.5,-6.57,;.06,-2.45,;-1.46,-2.3,;-1.78,-.79,;-.44,-.03,;.7,-1.07,)| Show InChI InChI=1S/C26H30N2O3S2/c29-25(26(30,23-9-4-17-32-23)24-10-5-18-33-24)27-22-19-28(14-11-20(22)12-15-28)13-6-16-31-21-7-2-1-3-8-21/h1-5,7-10,17-18,20,22,30H,6,11-16,19H2/p+1/t20?,22-,28?/m0/s1 | PDB
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| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M2 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50066854
(CHEMBL3401654)Show SMILES [Br-].O=C(N[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C1c2ccccc2Oc2ccccc12 |r,wU:4.2,(6.57,3.56,;-1.05,3.71,;.01,3.08,;1.35,3.84,;1.36,5.38,;-.06,6.22,;-.03,7.86,;-1.51,8.21,;-2.57,7.1,;-4.07,7.45,;-5.13,6.34,;-6.63,6.7,;-7.69,5.58,;-9.19,5.94,;-9.62,7.42,;-8.56,8.54,;-7.06,8.17,;1.4,8.66,;2.82,7.8,;2.78,6.18,;2.35,7.41,;1.27,8.06,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.31,.77,)| Show InChI InChI=1S/C30H32N2O3/c33-30(29-24-11-4-6-13-27(24)35-28-14-7-5-12-25(28)29)31-26-21-32(18-15-22(26)16-19-32)17-8-20-34-23-9-2-1-3-10-23/h1-7,9-14,22,26,29H,8,15-21H2/p+1/t22?,26-,32?/m0/s1 | UniProtKB/SwissProt
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| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M1 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50066851
(CHEMBL3401640)Show SMILES OC(C(=O)N[C@H]1CN2CCC1CC2)(c1ccccc1)c1ccccc1 |r,wD:5.4,(-1.32,.06,;-1.75,-1.1,;-.77,-2.29,;-1.2,-3.44,;.75,-2.03,;1.73,-3.23,;1.16,-4.74,;2.21,-5.97,;3.8,-5.68,;4.36,-4.15,;3.32,-2.91,;2.4,-3.81,;3.19,-4.79,;-3.27,-1.35,;-3.81,-2.79,;-5.33,-3.04,;-6.31,-1.85,;-5.77,-.41,;-4.25,-.16,;-.23,-.84,;1.1,-1.63,;2.44,-.87,;2.45,.67,;1.12,1.45,;-.22,.7,)| Show InChI InChI=1S/C21H24N2O2/c24-20(22-19-15-23-13-11-16(19)12-14-23)21(25,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,25H,11-15H2,(H,22,24)/t19-/m0/s1 | UniProtKB/SwissProt
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| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M1 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50066864
(CHEMBL3401645)Show SMILES OC1(C(=O)N[C@H]2CN3CCC2CC3)c2ccccc2-c2ccccc12 |r,wU:5.4,(1.13,-2.03,;,-1.41,;-1.05,-2.61,;-.61,-3.81,;-2.63,-2.33,;-3.67,-3.56,;-3.06,-5.13,;-4.13,-6.43,;-5.8,-6.14,;-6.4,-4.55,;-5.33,-3.24,;-4.36,-4.18,;-5.17,-5.21,;-1.32,-.65,;-2.67,-1.41,;-3.97,-.65,;-3.97,.88,;-2.67,1.65,;-1.32,.88,;1.32,.88,;2.65,1.65,;4.01,.88,;4.01,-.65,;2.65,-1.41,;1.32,-.65,)| Show InChI InChI=1S/C21H22N2O2/c24-20(22-19-13-23-11-9-14(19)10-12-23)21(25)17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-8,14,19,25H,9-13H2,(H,22,24)/t19-/m0/s1 | UniProtKB/SwissProt
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| n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M1 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50066863
(CHEMBL3401646)Show SMILES O=C(N[C@H]1CN2CCC1CC2)C1c2ccccc2Oc2ccccc12 |r,wU:3.2,(-1.05,3.7,;.01,3.08,;1.35,3.84,;1.36,5.38,;-.04,6.17,;-.04,7.78,;1.36,8.59,;2.77,7.78,;2.79,6.16,;1.5,6.26,;1.47,7.51,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.31,.77,)| Show InChI InChI=1S/C21H22N2O2/c24-21(22-17-13-23-11-9-14(17)10-12-23)20-15-5-1-3-7-18(15)25-19-8-4-2-6-16(19)20/h1-8,14,17,20H,9-13H2,(H,22,24)/t17-/m0/s1 | UniProtKB/SwissProt
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M1 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50066851
(CHEMBL3401640)Show SMILES OC(C(=O)N[C@H]1CN2CCC1CC2)(c1ccccc1)c1ccccc1 |r,wD:5.4,(-1.32,.06,;-1.75,-1.1,;-.77,-2.29,;-1.2,-3.44,;.75,-2.03,;1.73,-3.23,;1.16,-4.74,;2.21,-5.97,;3.8,-5.68,;4.36,-4.15,;3.32,-2.91,;2.4,-3.81,;3.19,-4.79,;-3.27,-1.35,;-3.81,-2.79,;-5.33,-3.04,;-6.31,-1.85,;-5.77,-.41,;-4.25,-.16,;-.23,-.84,;1.1,-1.63,;2.44,-.87,;2.45,.67,;1.12,1.45,;-.22,.7,)| Show InChI InChI=1S/C21H24N2O2/c24-20(22-19-15-23-13-11-16(19)12-14-23)21(25,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,25H,11-15H2,(H,22,24)/t19-/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M3 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50066864
(CHEMBL3401645)Show SMILES OC1(C(=O)N[C@H]2CN3CCC2CC3)c2ccccc2-c2ccccc12 |r,wU:5.4,(1.13,-2.03,;,-1.41,;-1.05,-2.61,;-.61,-3.81,;-2.63,-2.33,;-3.67,-3.56,;-3.06,-5.13,;-4.13,-6.43,;-5.8,-6.14,;-6.4,-4.55,;-5.33,-3.24,;-4.36,-4.18,;-5.17,-5.21,;-1.32,-.65,;-2.67,-1.41,;-3.97,-.65,;-3.97,.88,;-2.67,1.65,;-1.32,.88,;1.32,.88,;2.65,1.65,;4.01,.88,;4.01,-.65,;2.65,-1.41,;1.32,-.65,)| Show InChI InChI=1S/C21H22N2O2/c24-20(22-19-13-23-11-9-14(19)10-12-23)21(25)17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-8,14,19,25H,9-13H2,(H,22,24)/t19-/m0/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M3 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50066862
(CHEMBL3401647)Show SMILES CN([C@H]1CN2CCC1CC2)C(=O)C1c2ccccc2Oc2ccccc12 |r,wD:2.1,(2.41,3.22,;1.35,3.84,;1.36,5.38,;2.78,6.15,;2.8,7.76,;1.41,8.59,;-.02,7.79,;-.05,6.18,;1.24,6.26,;1.28,7.52,;.01,3.08,;-1.05,3.7,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.31,.77,)| Show InChI InChI=1S/C22H24N2O2/c1-23(18-14-24-12-10-15(18)11-13-24)22(25)21-16-6-2-4-8-19(16)26-20-9-5-3-7-17(20)21/h2-9,15,18,21H,10-14H2,1H3/t18-/m0/s1 | UniProtKB/SwissProt
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M1 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50066854
(CHEMBL3401654)Show SMILES [Br-].O=C(N[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C1c2ccccc2Oc2ccccc12 |r,wU:4.2,(6.57,3.56,;-1.05,3.71,;.01,3.08,;1.35,3.84,;1.36,5.38,;-.06,6.22,;-.03,7.86,;-1.51,8.21,;-2.57,7.1,;-4.07,7.45,;-5.13,6.34,;-6.63,6.7,;-7.69,5.58,;-9.19,5.94,;-9.62,7.42,;-8.56,8.54,;-7.06,8.17,;1.4,8.66,;2.82,7.8,;2.78,6.18,;2.35,7.41,;1.27,8.06,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.31,.77,)| Show InChI InChI=1S/C30H32N2O3/c33-30(29-24-11-4-6-13-27(24)35-28-14-7-5-12-25(28)29)31-26-21-32(18-15-22(26)16-19-32)17-8-20-34-23-9-2-1-3-10-23/h1-7,9-14,22,26,29H,8,15-21H2/p+1/t22?,26-,32?/m0/s1 | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M2 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50066856
(CHEMBL3401652)Show SMILES [Br-].O=C(N[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(c1cccs1)c1cccs1 |r,wD:4.2,(14.66,-2.25,;2.83,-2.46,;1.6,-2.46,;.83,-1.12,;1.61,.22,;3.27,.22,;4.09,1.64,;5.54,1.18,;5.88,-.32,;7.35,-.78,;7.69,-2.28,;9.16,-2.74,;9.49,-4.25,;10.97,-4.7,;12.1,-3.66,;11.76,-2.16,;10.29,-1.7,;3.27,3.05,;1.61,3.05,;.82,1.64,;1.81,2.48,;3.07,2.48,;.82,-3.79,;1.58,-5.13,;3.1,-5.27,;3.42,-6.78,;2.08,-7.55,;.94,-6.51,;-.72,-3.78,;-1.61,-5.02,;-3.07,-4.53,;-3.06,-2.99,;-1.6,-2.53,)| Show InChI InChI=1S/C26H30N2O2S2/c29-26(25(23-9-4-17-31-23)24-10-5-18-32-24)27-22-19-28(14-11-20(22)12-15-28)13-6-16-30-21-7-2-1-3-8-21/h1-5,7-10,17-18,20,22,25H,6,11-16,19H2/p+1/t20?,22-,28?/m0/s1 | PDB
Reactome pathway
KEGG
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antibodypedia
GoogleScholar
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| CHEMBL
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UniChem
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PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M3 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50066867
(CHEMBL3401642)Show SMILES O=C(N[C@H]1CN2CCC1CC2)C(c1cccs1)c1cccs1 |r,wD:3.2,(-.26,-3.62,;-.25,-2.38,;1.1,-1.63,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,;-1.57,-1.6,;-2.91,-2.36,;-3.07,-3.88,;-4.58,-4.19,;-5.34,-2.85,;-4.3,-1.71,;-1.56,-.06,;-2.79,.84,;-2.3,2.29,;-.76,2.28,;-.3,.81,)| Show InChI InChI=1S/C17H20N2OS2/c20-17(18-13-11-19-7-5-12(13)6-8-19)16(14-3-1-9-21-14)15-4-2-10-22-15/h1-4,9-10,12-13,16H,5-8,11H2,(H,18,20)/t13-/m0/s1 | UniProtKB/SwissProt
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| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M1 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50066851
(CHEMBL3401640)Show SMILES OC(C(=O)N[C@H]1CN2CCC1CC2)(c1ccccc1)c1ccccc1 |r,wD:5.4,(-1.32,.06,;-1.75,-1.1,;-.77,-2.29,;-1.2,-3.44,;.75,-2.03,;1.73,-3.23,;1.16,-4.74,;2.21,-5.97,;3.8,-5.68,;4.36,-4.15,;3.32,-2.91,;2.4,-3.81,;3.19,-4.79,;-3.27,-1.35,;-3.81,-2.79,;-5.33,-3.04,;-6.31,-1.85,;-5.77,-.41,;-4.25,-.16,;-.23,-.84,;1.1,-1.63,;2.44,-.87,;2.45,.67,;1.12,1.45,;-.22,.7,)| Show InChI InChI=1S/C21H24N2O2/c24-20(22-19-15-23-13-11-16(19)12-14-23)21(25,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,25H,11-15H2,(H,22,24)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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UniChem
Similars
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PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M2 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50066863
(CHEMBL3401646)Show SMILES O=C(N[C@H]1CN2CCC1CC2)C1c2ccccc2Oc2ccccc12 |r,wU:3.2,(-1.05,3.7,;.01,3.08,;1.35,3.84,;1.36,5.38,;-.04,6.17,;-.04,7.78,;1.36,8.59,;2.77,7.78,;2.79,6.16,;1.5,6.26,;1.47,7.51,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.31,.77,)| Show InChI InChI=1S/C21H22N2O2/c24-21(22-17-13-23-11-9-14(17)10-12-23)20-15-5-1-3-7-18(15)25-19-8-4-2-6-16(19)20/h1-8,14,17,20H,9-13H2,(H,22,24)/t17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M3 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50066856
(CHEMBL3401652)Show SMILES [Br-].O=C(N[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(c1cccs1)c1cccs1 |r,wD:4.2,(14.66,-2.25,;2.83,-2.46,;1.6,-2.46,;.83,-1.12,;1.61,.22,;3.27,.22,;4.09,1.64,;5.54,1.18,;5.88,-.32,;7.35,-.78,;7.69,-2.28,;9.16,-2.74,;9.49,-4.25,;10.97,-4.7,;12.1,-3.66,;11.76,-2.16,;10.29,-1.7,;3.27,3.05,;1.61,3.05,;.82,1.64,;1.81,2.48,;3.07,2.48,;.82,-3.79,;1.58,-5.13,;3.1,-5.27,;3.42,-6.78,;2.08,-7.55,;.94,-6.51,;-.72,-3.78,;-1.61,-5.02,;-3.07,-4.53,;-3.06,-2.99,;-1.6,-2.53,)| Show InChI InChI=1S/C26H30N2O2S2/c29-26(25(23-9-4-17-31-23)24-10-5-18-32-24)27-22-19-28(14-11-20(22)12-15-28)13-6-16-30-21-7-2-1-3-8-21/h1-5,7-10,17-18,20,22,25H,6,11-16,19H2/p+1/t20?,22-,28?/m0/s1 | UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
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PC sid
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| Article
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| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M1 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50066852
(CHEMBL3401656)Show SMILES [Cl-].CN([C@H]1C[N+]2(CCCOc3ccc(cc3)-c3ccccc3)CCC1CC2)C(=O)C1c2ccccc2Oc2ccccc12 |r,wD:3.1,(19.44,3.96,;2.41,3.22,;1.35,3.84,;1.36,5.38,;2.8,6.21,;2.79,7.84,;4.27,8.18,;5.32,7.05,;6.82,7.39,;7.87,6.26,;9.37,6.6,;10.42,5.47,;11.92,5.82,;12.37,7.29,;11.33,8.42,;9.83,8.07,;13.88,7.63,;14.93,6.51,;16.43,6.85,;16.88,8.33,;15.83,9.45,;14.33,9.11,;1.37,8.66,;-.06,7.82,;-.04,6.2,;.4,7.42,;1.49,8.06,;.01,3.08,;-1.05,3.71,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.31,.77,)| Show InChI InChI=1S/C37H39N2O3/c1-38(37(40)36-31-12-5-7-14-34(31)42-35-15-8-6-13-32(35)36)33-26-39(23-20-29(33)21-24-39)22-9-25-41-30-18-16-28(17-19-30)27-10-3-2-4-11-27/h2-8,10-19,29,33,36H,9,20-26H2,1H3/q+1/t29?,33-,39?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M3 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50066853
(CHEMBL3401655)Show SMILES [Br-].CN([C@H]1C[N+]2(CCCn3cccc3)CCC1CC2)C(=O)C1c2ccccc2Oc2ccccc12 |r,wD:3.1,(12.59,3.56,;2.41,3.22,;1.35,3.84,;1.36,5.38,;2.8,6.21,;2.79,7.84,;4.27,8.18,;5.32,7.05,;6.82,7.39,;7.87,6.26,;9.38,6.46,;10.03,5.06,;8.9,4.01,;7.55,4.77,;1.37,8.66,;-.06,7.82,;-.04,6.2,;.4,7.42,;1.49,8.06,;.01,3.08,;-1.05,3.71,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.31,.77,)| Show InChI InChI=1S/C29H34N3O2/c1-30(25-21-32(19-13-22(25)14-20-32)18-8-17-31-15-6-7-16-31)29(33)28-23-9-2-4-11-26(23)34-27-12-5-3-10-24(27)28/h2-7,9-12,15-16,22,25,28H,8,13-14,17-21H2,1H3/q+1/t22?,25-,32?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M3 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50066853
(CHEMBL3401655)Show SMILES [Br-].CN([C@H]1C[N+]2(CCCn3cccc3)CCC1CC2)C(=O)C1c2ccccc2Oc2ccccc12 |r,wD:3.1,(12.59,3.56,;2.41,3.22,;1.35,3.84,;1.36,5.38,;2.8,6.21,;2.79,7.84,;4.27,8.18,;5.32,7.05,;6.82,7.39,;7.87,6.26,;9.38,6.46,;10.03,5.06,;8.9,4.01,;7.55,4.77,;1.37,8.66,;-.06,7.82,;-.04,6.2,;.4,7.42,;1.49,8.06,;.01,3.08,;-1.05,3.71,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.31,.77,)| Show InChI InChI=1S/C29H34N3O2/c1-30(25-21-32(19-13-22(25)14-20-32)18-8-17-31-15-6-7-16-31)29(33)28-23-9-2-4-11-26(23)34-27-12-5-3-10-24(27)28/h2-7,9-12,15-16,22,25,28H,8,13-14,17-21H2,1H3/q+1/t22?,25-,32?/m0/s1 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
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| Article
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| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M1 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50066856
(CHEMBL3401652)Show SMILES [Br-].O=C(N[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(c1cccs1)c1cccs1 |r,wD:4.2,(14.66,-2.25,;2.83,-2.46,;1.6,-2.46,;.83,-1.12,;1.61,.22,;3.27,.22,;4.09,1.64,;5.54,1.18,;5.88,-.32,;7.35,-.78,;7.69,-2.28,;9.16,-2.74,;9.49,-4.25,;10.97,-4.7,;12.1,-3.66,;11.76,-2.16,;10.29,-1.7,;3.27,3.05,;1.61,3.05,;.82,1.64,;1.81,2.48,;3.07,2.48,;.82,-3.79,;1.58,-5.13,;3.1,-5.27,;3.42,-6.78,;2.08,-7.55,;.94,-6.51,;-.72,-3.78,;-1.61,-5.02,;-3.07,-4.53,;-3.06,-2.99,;-1.6,-2.53,)| Show InChI InChI=1S/C26H30N2O2S2/c29-26(25(23-9-4-17-31-23)24-10-5-18-32-24)27-22-19-28(14-11-20(22)12-15-28)13-6-16-30-21-7-2-1-3-8-21/h1-5,7-10,17-18,20,22,25H,6,11-16,19H2/p+1/t20?,22-,28?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M2 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50066864
(CHEMBL3401645)Show SMILES OC1(C(=O)N[C@H]2CN3CCC2CC3)c2ccccc2-c2ccccc12 |r,wU:5.4,(1.13,-2.03,;,-1.41,;-1.05,-2.61,;-.61,-3.81,;-2.63,-2.33,;-3.67,-3.56,;-3.06,-5.13,;-4.13,-6.43,;-5.8,-6.14,;-6.4,-4.55,;-5.33,-3.24,;-4.36,-4.18,;-5.17,-5.21,;-1.32,-.65,;-2.67,-1.41,;-3.97,-.65,;-3.97,.88,;-2.67,1.65,;-1.32,.88,;1.32,.88,;2.65,1.65,;4.01,.88,;4.01,-.65,;2.65,-1.41,;1.32,-.65,)| Show InChI InChI=1S/C21H22N2O2/c24-20(22-19-13-23-11-9-14(19)10-12-23)21(25)17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-8,14,19,25H,9-13H2,(H,22,24)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 101 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M2 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50066867
(CHEMBL3401642)Show SMILES O=C(N[C@H]1CN2CCC1CC2)C(c1cccs1)c1cccs1 |r,wD:3.2,(-.26,-3.62,;-.25,-2.38,;1.1,-1.63,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,;-1.57,-1.6,;-2.91,-2.36,;-3.07,-3.88,;-4.58,-4.19,;-5.34,-2.85,;-4.3,-1.71,;-1.56,-.06,;-2.79,.84,;-2.3,2.29,;-.76,2.28,;-.3,.81,)| Show InChI InChI=1S/C17H20N2OS2/c20-17(18-13-11-19-7-5-12(13)6-8-19)16(14-3-1-9-21-14)15-4-2-10-22-15/h1-4,9-10,12-13,16H,5-8,11H2,(H,18,20)/t13-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M3 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50066855
(CHEMBL3401653)Show SMILES CN(CCC[N+]12CCC(CC1)[C@H](C2)NC(=O)C1(O)c2ccccc2-c2ccccc12)c1ccccc1 |r| Show InChI InChI=1S/C31H35N3O2/c1-33(24-10-3-2-4-11-24)18-9-19-34-20-16-23(17-21-34)29(22-34)32-30(35)31(36)27-14-7-5-12-25(27)26-13-6-8-15-28(26)31/h2-8,10-15,23,29,36H,9,16-22H2,1H3/p+1/t23?,29-,34?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 131 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M3 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50066853
(CHEMBL3401655)Show SMILES [Br-].CN([C@H]1C[N+]2(CCCn3cccc3)CCC1CC2)C(=O)C1c2ccccc2Oc2ccccc12 |r,wD:3.1,(12.59,3.56,;2.41,3.22,;1.35,3.84,;1.36,5.38,;2.8,6.21,;2.79,7.84,;4.27,8.18,;5.32,7.05,;6.82,7.39,;7.87,6.26,;9.38,6.46,;10.03,5.06,;8.9,4.01,;7.55,4.77,;1.37,8.66,;-.06,7.82,;-.04,6.2,;.4,7.42,;1.49,8.06,;.01,3.08,;-1.05,3.71,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.31,.77,)| Show InChI InChI=1S/C29H34N3O2/c1-30(25-21-32(19-13-22(25)14-20-32)18-8-17-31-15-6-7-16-31)29(33)28-23-9-2-4-11-26(23)34-27-12-5-3-10-24(27)28/h2-7,9-12,15-16,22,25,28H,8,13-14,17-21H2,1H3/q+1/t22?,25-,32?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 137 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M2 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50066852
(CHEMBL3401656)Show SMILES [Cl-].CN([C@H]1C[N+]2(CCCOc3ccc(cc3)-c3ccccc3)CCC1CC2)C(=O)C1c2ccccc2Oc2ccccc12 |r,wD:3.1,(19.44,3.96,;2.41,3.22,;1.35,3.84,;1.36,5.38,;2.8,6.21,;2.79,7.84,;4.27,8.18,;5.32,7.05,;6.82,7.39,;7.87,6.26,;9.37,6.6,;10.42,5.47,;11.92,5.82,;12.37,7.29,;11.33,8.42,;9.83,8.07,;13.88,7.63,;14.93,6.51,;16.43,6.85,;16.88,8.33,;15.83,9.45,;14.33,9.11,;1.37,8.66,;-.06,7.82,;-.04,6.2,;.4,7.42,;1.49,8.06,;.01,3.08,;-1.05,3.71,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.31,.77,)| Show InChI InChI=1S/C37H39N2O3/c1-38(37(40)36-31-12-5-7-14-34(31)42-35-15-8-6-13-32(35)36)33-26-39(23-20-29(33)21-24-39)22-9-25-41-30-18-16-28(17-19-30)27-10-3-2-4-11-27/h2-8,10-19,29,33,36H,9,20-26H2,1H3/q+1/t29?,33-,39?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M2 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50066862
(CHEMBL3401647)Show SMILES CN([C@H]1CN2CCC1CC2)C(=O)C1c2ccccc2Oc2ccccc12 |r,wD:2.1,(2.41,3.22,;1.35,3.84,;1.36,5.38,;2.78,6.15,;2.8,7.76,;1.41,8.59,;-.02,7.79,;-.05,6.18,;1.24,6.26,;1.28,7.52,;.01,3.08,;-1.05,3.7,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.31,.77,)| Show InChI InChI=1S/C22H24N2O2/c1-23(18-14-24-12-10-15(18)11-13-24)22(25)21-16-6-2-4-8-19(16)26-20-9-5-3-7-17(20)21/h2-9,15,18,21H,10-14H2,1H3/t18-/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | 173 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M3 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50066865
(CHEMBL3401644)Show SMILES CCC(O)(C(=O)N[C@H]1CN2CCC1CC2)c1cccs1 |r,wD:7.6,(-.7,-3.69,;-1.58,-3.17,;-1.57,-1.6,;-1.56,-.37,;-.25,-2.38,;-.26,-3.41,;1.1,-1.63,;2.43,-2.41,;2.41,-4.02,;3.81,-4.82,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.73,;4.33,-3.38,;-2.91,-2.36,;-3.07,-3.88,;-4.58,-4.18,;-5.33,-2.84,;-4.29,-1.71,)| Show InChI InChI=1S/C15H22N2O2S/c1-2-15(19,13-4-3-9-20-13)14(18)16-12-10-17-7-5-11(12)6-8-17/h3-4,9,11-12,19H,2,5-8,10H2,1H3,(H,16,18)/t12-,15?/m0/s1 | UniProtKB/SwissProt
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| n/a | n/a | 176 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M1 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50066865
(CHEMBL3401644)Show SMILES CCC(O)(C(=O)N[C@H]1CN2CCC1CC2)c1cccs1 |r,wD:7.6,(-.7,-3.69,;-1.58,-3.17,;-1.57,-1.6,;-1.56,-.37,;-.25,-2.38,;-.26,-3.41,;1.1,-1.63,;2.43,-2.41,;2.41,-4.02,;3.81,-4.82,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.73,;4.33,-3.38,;-2.91,-2.36,;-3.07,-3.88,;-4.58,-4.18,;-5.33,-2.84,;-4.29,-1.71,)| Show InChI InChI=1S/C15H22N2O2S/c1-2-15(19,13-4-3-9-20-13)14(18)16-12-10-17-7-5-11(12)6-8-17/h3-4,9,11-12,19H,2,5-8,10H2,1H3,(H,16,18)/t12-,15?/m0/s1 | UniProtKB/SwissProt
antibodypedia
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| n/a | n/a | 177 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M1 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50066867
(CHEMBL3401642)Show SMILES O=C(N[C@H]1CN2CCC1CC2)C(c1cccs1)c1cccs1 |r,wD:3.2,(-.26,-3.62,;-.25,-2.38,;1.1,-1.63,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,;-1.57,-1.6,;-2.91,-2.36,;-3.07,-3.88,;-4.58,-4.19,;-5.34,-2.85,;-4.3,-1.71,;-1.56,-.06,;-2.79,.84,;-2.3,2.29,;-.76,2.28,;-.3,.81,)| Show InChI InChI=1S/C17H20N2OS2/c20-17(18-13-11-19-7-5-12(13)6-8-19)16(14-3-1-9-21-14)15-4-2-10-22-15/h1-4,9-10,12-13,16H,5-8,11H2,(H,18,20)/t13-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
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PC sid
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| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M2 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50066852
(CHEMBL3401656)Show SMILES [Cl-].CN([C@H]1C[N+]2(CCCOc3ccc(cc3)-c3ccccc3)CCC1CC2)C(=O)C1c2ccccc2Oc2ccccc12 |r,wD:3.1,(19.44,3.96,;2.41,3.22,;1.35,3.84,;1.36,5.38,;2.8,6.21,;2.79,7.84,;4.27,8.18,;5.32,7.05,;6.82,7.39,;7.87,6.26,;9.37,6.6,;10.42,5.47,;11.92,5.82,;12.37,7.29,;11.33,8.42,;9.83,8.07,;13.88,7.63,;14.93,6.51,;16.43,6.85,;16.88,8.33,;15.83,9.45,;14.33,9.11,;1.37,8.66,;-.06,7.82,;-.04,6.2,;.4,7.42,;1.49,8.06,;.01,3.08,;-1.05,3.71,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.31,.77,)| Show InChI InChI=1S/C37H39N2O3/c1-38(37(40)36-31-12-5-7-14-34(31)42-35-15-8-6-13-32(35)36)33-26-39(23-20-29(33)21-24-39)22-9-25-41-30-18-16-28(17-19-30)27-10-3-2-4-11-27/h2-8,10-19,29,33,36H,9,20-26H2,1H3/q+1/t29?,33-,39?/m0/s1 | UniProtKB/SwissProt
antibodypedia
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| n/a | n/a | 281 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M1 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50066862
(CHEMBL3401647)Show SMILES CN([C@H]1CN2CCC1CC2)C(=O)C1c2ccccc2Oc2ccccc12 |r,wD:2.1,(2.41,3.22,;1.35,3.84,;1.36,5.38,;2.78,6.15,;2.8,7.76,;1.41,8.59,;-.02,7.79,;-.05,6.18,;1.24,6.26,;1.28,7.52,;.01,3.08,;-1.05,3.7,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.31,.77,)| Show InChI InChI=1S/C22H24N2O2/c1-23(18-14-24-12-10-15(18)11-13-24)22(25)21-16-6-2-4-8-19(16)26-20-9-5-3-7-17(20)21/h2-9,15,18,21H,10-14H2,1H3/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
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PubMed
| n/a | n/a | 286 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M2 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50066855
(CHEMBL3401653)Show SMILES CN(CCC[N+]12CCC(CC1)[C@H](C2)NC(=O)C1(O)c2ccccc2-c2ccccc12)c1ccccc1 |r| Show InChI InChI=1S/C31H35N3O2/c1-33(24-10-3-2-4-11-24)18-9-19-34-20-16-23(17-21-34)29(22-34)32-30(35)31(36)27-14-7-5-12-25(27)26-13-6-8-15-28(26)31/h2-8,10-15,23,29,36H,9,16-22H2,1H3/p+1/t23?,29-,34?/m0/s1 | UniProtKB/SwissProt
antibodypedia
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PubMed
| n/a | n/a | 291 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M1 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50066863
(CHEMBL3401646)Show SMILES O=C(N[C@H]1CN2CCC1CC2)C1c2ccccc2Oc2ccccc12 |r,wU:3.2,(-1.05,3.7,;.01,3.08,;1.35,3.84,;1.36,5.38,;-.04,6.17,;-.04,7.78,;1.36,8.59,;2.77,7.78,;2.79,6.16,;1.5,6.26,;1.47,7.51,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.31,.77,)| Show InChI InChI=1S/C21H22N2O2/c24-21(22-17-13-23-11-9-14(17)10-12-23)20-15-5-1-3-7-18(15)25-19-8-4-2-6-16(19)20/h1-8,14,17,20H,9-13H2,(H,22,24)/t17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| n/a | n/a | 348 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M2 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50066869
(CHEMBL3401658)Show SMILES [Br-].OC(C(=O)N[C@@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wU:6.4,(14.66,-2.25,;2.05,-3.79,;.82,-3.79,;1.6,-2.46,;2.83,-2.46,;.83,-1.12,;1.61,.22,;3.27,.22,;4.09,1.64,;5.54,1.18,;5.88,-.32,;7.35,-.78,;7.69,-2.28,;9.16,-2.74,;9.49,-4.25,;10.97,-4.7,;12.1,-3.66,;11.76,-2.16,;10.29,-1.7,;3.27,3.05,;1.61,3.05,;.82,1.64,;1.81,2.48,;3.07,2.48,;-.72,-3.78,;-1.61,-5.02,;-3.07,-4.54,;-3.06,-3,;-1.6,-2.53,;1.58,-5.13,;3.1,-5.28,;3.41,-6.78,;2.08,-7.55,;.94,-6.51,)| Show InChI InChI=1S/C26H30N2O3S2.BrH/c29-25(26(30,23-9-4-17-32-23)24-10-5-18-33-24)27-22-19-28(14-11-20(22)12-15-28)13-6-16-31-21-7-2-1-3-8-21;/h1-5,7-10,17-18,20,22,30H,6,11-16,19H2;1H/t20?,22-,28?;/m1./s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
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PubMed
| n/a | n/a | 599 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M3 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50066855
(CHEMBL3401653)Show SMILES CN(CCC[N+]12CCC(CC1)[C@H](C2)NC(=O)C1(O)c2ccccc2-c2ccccc12)c1ccccc1 |r| Show InChI InChI=1S/C31H35N3O2/c1-33(24-10-3-2-4-11-24)18-9-19-34-20-16-23(17-21-34)29(22-34)32-30(35)31(36)27-14-7-5-12-25(27)26-13-6-8-15-28(26)31/h2-8,10-15,23,29,36H,9,16-22H2,1H3/p+1/t23?,29-,34?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 804 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M2 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50066865
(CHEMBL3401644)Show SMILES CCC(O)(C(=O)N[C@H]1CN2CCC1CC2)c1cccs1 |r,wD:7.6,(-.7,-3.69,;-1.58,-3.17,;-1.57,-1.6,;-1.56,-.37,;-.25,-2.38,;-.26,-3.41,;1.1,-1.63,;2.43,-2.41,;2.41,-4.02,;3.81,-4.82,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.73,;4.33,-3.38,;-2.91,-2.36,;-3.07,-3.88,;-4.58,-4.18,;-5.33,-2.84,;-4.29,-1.71,)| Show InChI InChI=1S/C15H22N2O2S/c1-2-15(19,13-4-3-9-20-13)14(18)16-12-10-17-7-5-11(12)6-8-17/h3-4,9,11-12,19H,2,5-8,10H2,1H3,(H,16,18)/t12-,15?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 889 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M3 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50066865
(CHEMBL3401644)Show SMILES CCC(O)(C(=O)N[C@H]1CN2CCC1CC2)c1cccs1 |r,wD:7.6,(-.7,-3.69,;-1.58,-3.17,;-1.57,-1.6,;-1.56,-.37,;-.25,-2.38,;-.26,-3.41,;1.1,-1.63,;2.43,-2.41,;2.41,-4.02,;3.81,-4.82,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.73,;4.33,-3.38,;-2.91,-2.36,;-3.07,-3.88,;-4.58,-4.18,;-5.33,-2.84,;-4.29,-1.71,)| Show InChI InChI=1S/C15H22N2O2S/c1-2-15(19,13-4-3-9-20-13)14(18)16-12-10-17-7-5-11(12)6-8-17/h3-4,9,11-12,19H,2,5-8,10H2,1H3,(H,16,18)/t12-,15?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 889 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M3 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50066868
(CHEMBL3401657)Show SMILES OC(C(=O)N[C@@H]1CN2CCC1CC2)(c1cccs1)c1cccs1 |r,wU:5.4,(-1.32,.06,;-1.75,-1.1,;-.77,-2.29,;-1.2,-3.44,;.75,-2.03,;1.73,-3.23,;1.16,-4.74,;2.21,-5.97,;3.8,-5.68,;4.36,-4.15,;3.32,-2.91,;2.4,-3.81,;3.19,-4.79,;-3.27,-1.35,;-4.35,-.27,;-5.71,-.97,;-5.46,-2.49,;-3.94,-2.72,;-.23,-.84,;1.15,-1.49,;2.19,-.36,;1.43,.98,;-.08,.68,)| Show InChI InChI=1S/C17H20N2O2S2/c20-16(18-13-11-19-7-5-12(13)6-8-19)17(21,14-3-1-9-22-14)15-4-2-10-23-15/h1-4,9-10,12-13,21H,5-8,11H2,(H,18,20)/t13-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M3 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50066865
(CHEMBL3401644)Show SMILES CCC(O)(C(=O)N[C@H]1CN2CCC1CC2)c1cccs1 |r,wD:7.6,(-.7,-3.69,;-1.58,-3.17,;-1.57,-1.6,;-1.56,-.37,;-.25,-2.38,;-.26,-3.41,;1.1,-1.63,;2.43,-2.41,;2.41,-4.02,;3.81,-4.82,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.73,;4.33,-3.38,;-2.91,-2.36,;-3.07,-3.88,;-4.58,-4.18,;-5.33,-2.84,;-4.29,-1.71,)| Show InChI InChI=1S/C15H22N2O2S/c1-2-15(19,13-4-3-9-20-13)14(18)16-12-10-17-7-5-11(12)6-8-17/h3-4,9,11-12,19H,2,5-8,10H2,1H3,(H,16,18)/t12-,15?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M2 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50066865
(CHEMBL3401644)Show SMILES CCC(O)(C(=O)N[C@H]1CN2CCC1CC2)c1cccs1 |r,wD:7.6,(-.7,-3.69,;-1.58,-3.17,;-1.57,-1.6,;-1.56,-.37,;-.25,-2.38,;-.26,-3.41,;1.1,-1.63,;2.43,-2.41,;2.41,-4.02,;3.81,-4.82,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.73,;4.33,-3.38,;-2.91,-2.36,;-3.07,-3.88,;-4.58,-4.18,;-5.33,-2.84,;-4.29,-1.71,)| Show InChI InChI=1S/C15H22N2O2S/c1-2-15(19,13-4-3-9-20-13)14(18)16-12-10-17-7-5-11(12)6-8-17/h3-4,9,11-12,19H,2,5-8,10H2,1H3,(H,16,18)/t12-,15?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from human M2 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method |
Bioorg Med Chem Lett 25: 1736-41 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.065
BindingDB Entry DOI: 10.7270/Q21R6S60 |
More data for this
Ligand-Target Pair | |
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