BindingDB logo
myBDB logout

PubMed code 11012031

Compile data set for download or QSAR
Found 57 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50451113
PNG
(CHEMBL2114068)
Show SMILES COc1ccc(cc1)[S@+]([O-])c1ccc(cc1)C(=C)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C26H33NO2S/c1-20(22-16-18-27(19-17-22)23-6-4-3-5-7-23)21-8-12-25(13-9-21)30(28)26-14-10-24(29-2)11-15-26/h8-15,22-23H,1,3-7,16-19H2,2H3/t30-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0300n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50451114
PNG
(CHEMBL2115128)
Show SMILES COc1ccc(cc1)[S@@+]([O-])c1ccc(cc1)C(=C)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C26H33NO2S/c1-20(22-16-18-27(19-17-22)23-6-4-3-5-7-23)21-8-12-25(13-9-21)30(28)26-14-10-24(29-2)11-15-26/h8-15,22-23H,1,3-7,16-19H2,2H3/t30-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0570n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50092313
PNG
(1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfinyl)-p...)
Show SMILES COc1ccc(cc1)S(=O)c1ccc(cc1)C(C)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C26H35NO2S/c1-20(22-16-18-27(19-17-22)23-6-4-3-5-7-23)21-8-12-25(13-9-21)30(28)26-14-10-24(29-2)11-15-26/h8-15,20,22-23H,3-7,16-19H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0700n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M4


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50451113
PNG
(CHEMBL2114068)
Show SMILES COc1ccc(cc1)[S@+]([O-])c1ccc(cc1)C(=C)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C26H33NO2S/c1-20(22-16-18-27(19-17-22)23-6-4-3-5-7-23)21-8-12-25(13-9-21)30(28)26-14-10-24(29-2)11-15-26/h8-15,22-23H,1,3-7,16-19H2,2H3/t30-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0900n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M4


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50451113
PNG
(CHEMBL2114068)
Show SMILES COc1ccc(cc1)[S@+]([O-])c1ccc(cc1)C(=C)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C26H33NO2S/c1-20(22-16-18-27(19-17-22)23-6-4-3-5-7-23)21-8-12-25(13-9-21)30(28)26-14-10-24(29-2)11-15-26/h8-15,22-23H,1,3-7,16-19H2,2H3/t30-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.130n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M3


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50092313
PNG
(1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfinyl)-p...)
Show SMILES COc1ccc(cc1)S(=O)c1ccc(cc1)C(C)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C26H35NO2S/c1-20(22-16-18-27(19-17-22)23-6-4-3-5-7-23)21-8-12-25(13-9-21)30(28)26-14-10-24(29-2)11-15-26/h8-15,20,22-23H,3-7,16-19H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.140n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50092313
PNG
(1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfinyl)-p...)
Show SMILES COc1ccc(cc1)S(=O)c1ccc(cc1)C(C)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C26H35NO2S/c1-20(22-16-18-27(19-17-22)23-6-4-3-5-7-23)21-8-12-25(13-9-21)30(28)26-14-10-24(29-2)11-15-26/h8-15,20,22-23H,3-7,16-19H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.160n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M3


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50092321
PNG
(1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfonyl)-p...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C26H33NO3S/c1-20(22-16-18-27(19-17-22)23-6-4-3-5-7-23)21-8-12-25(13-9-21)31(28,29)26-14-10-24(30-2)11-15-26/h8-15,22-23H,1,3-7,16-19H2,2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.170n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50451114
PNG
(CHEMBL2115128)
Show SMILES COc1ccc(cc1)[S@@+]([O-])c1ccc(cc1)C(=C)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C26H33NO2S/c1-20(22-16-18-27(19-17-22)23-6-4-3-5-7-23)21-8-12-25(13-9-21)30(28)26-14-10-24(29-2)11-15-26/h8-15,22-23H,1,3-7,16-19H2,2H3/t30-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.320n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M4


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50092321
PNG
(1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfonyl)-p...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C26H33NO3S/c1-20(22-16-18-27(19-17-22)23-6-4-3-5-7-23)21-8-12-25(13-9-21)31(28,29)26-14-10-24(30-2)11-15-26/h8-15,22-23H,1,3-7,16-19H2,2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.330n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M4


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50092322
PNG
(1-Cyclohexyl-4-{1-[4-(4-methoxy-phenylsulfanyl)-ph...)
Show SMILES COc1ccc(Sc2ccc(cc2)C(=C)C2CCN(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C26H33NOS/c1-20(22-16-18-27(19-17-22)23-6-4-3-5-7-23)21-8-12-25(13-9-21)29-26-14-10-24(28-2)11-15-26/h8-15,22-23H,1,3-7,16-19H2,2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.370n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50451114
PNG
(CHEMBL2115128)
Show SMILES COc1ccc(cc1)[S@@+]([O-])c1ccc(cc1)C(=C)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C26H33NO2S/c1-20(22-16-18-27(19-17-22)23-6-4-3-5-7-23)21-8-12-25(13-9-21)30(28)26-14-10-24(29-2)11-15-26/h8-15,22-23H,1,3-7,16-19H2,2H3/t30-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.380n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M3


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50092321
PNG
(1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfonyl)-p...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C26H33NO3S/c1-20(22-16-18-27(19-17-22)23-6-4-3-5-7-23)21-8-12-25(13-9-21)31(28,29)26-14-10-24(30-2)11-15-26/h8-15,22-23H,1,3-7,16-19H2,2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.480n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M3


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50092313
PNG
(1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfinyl)-p...)
Show SMILES COc1ccc(cc1)S(=O)c1ccc(cc1)C(C)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C26H35NO2S/c1-20(22-16-18-27(19-17-22)23-6-4-3-5-7-23)21-8-12-25(13-9-21)30(28)26-14-10-24(29-2)11-15-26/h8-15,20,22-23H,3-7,16-19H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.530n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50451113
PNG
(CHEMBL2114068)
Show SMILES COc1ccc(cc1)[S@+]([O-])c1ccc(cc1)C(=C)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C26H33NO2S/c1-20(22-16-18-27(19-17-22)23-6-4-3-5-7-23)21-8-12-25(13-9-21)30(28)26-14-10-24(29-2)11-15-26/h8-15,22-23H,1,3-7,16-19H2,2H3/t30-/s2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.680n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50092319
PNG
(1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfinyl)-p...)
Show SMILES COc1ccc(cc1)S(=O)c1ccc(cc1)C(C)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C25H34N2O2S/c1-20(26-16-18-27(19-17-26)22-6-4-3-5-7-22)21-8-12-24(13-9-21)30(28)25-14-10-23(29-2)11-15-25/h8-15,20,22H,3-7,16-19H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.970n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M3


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50092319
PNG
(1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfinyl)-p...)
Show SMILES COc1ccc(cc1)S(=O)c1ccc(cc1)C(C)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C25H34N2O2S/c1-20(26-16-18-27(19-17-26)22-6-4-3-5-7-22)21-8-12-24(13-9-21)30(28)25-14-10-23(29-2)11-15-25/h8-15,20,22H,3-7,16-19H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50092315
PNG
((1-Cyclohexyl-piperidin-4-yl)-[4-(4-methoxy-benzen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(C#N)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C26H32N2O3S/c1-31-23-9-13-25(14-10-23)32(29,30)24-11-7-20(8-12-24)26(19-27)21-15-17-28(18-16-21)22-5-3-2-4-6-22/h7-14,21-22,26H,2-6,15-18H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50092313
PNG
(1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfinyl)-p...)
Show SMILES COc1ccc(cc1)S(=O)c1ccc(cc1)C(C)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C26H35NO2S/c1-20(22-16-18-27(19-17-22)23-6-4-3-5-7-23)21-8-12-25(13-9-21)30(28)26-14-10-24(29-2)11-15-26/h8-15,20,22-23H,3-7,16-19H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity against Muscarinic acetylcholine receptor M5


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50451114
PNG
(CHEMBL2115128)
Show SMILES COc1ccc(cc1)[S@@+]([O-])c1ccc(cc1)C(=C)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C26H33NO2S/c1-20(22-16-18-27(19-17-22)23-6-4-3-5-7-23)21-8-12-25(13-9-21)30(28)26-14-10-24(29-2)11-15-26/h8-15,22-23H,1,3-7,16-19H2,2H3/t30-/s2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50092319
PNG
(1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfinyl)-p...)
Show SMILES COc1ccc(cc1)S(=O)c1ccc(cc1)C(C)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C25H34N2O2S/c1-20(26-16-18-27(19-17-26)22-6-4-3-5-7-22)21-8-12-24(13-9-21)30(28)25-14-10-23(29-2)11-15-25/h8-15,20,22H,3-7,16-19H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M4


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50451110
PNG
(CHEMBL2111540)
Show SMILES COc1ccc(cc1)[S@@+]([O-])c1ccc(cc1)C(C#N)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C25H31N3O2S/c1-30-22-9-13-24(14-10-22)31(29)23-11-7-20(8-12-23)25(19-26)28-17-15-27(16-18-28)21-5-3-2-4-6-21/h7-14,21,25H,2-6,15-18H2,1H3/t25?,31-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50092321
PNG
(1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfonyl)-p...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C26H33NO3S/c1-20(22-16-18-27(19-17-22)23-6-4-3-5-7-23)21-8-12-25(13-9-21)31(28,29)26-14-10-24(30-2)11-15-26/h8-15,22-23H,1,3-7,16-19H2,2H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50092314
PNG
((1-Cyclohexyl-piperidin-4-yl)-[4-(4-methoxy-benzen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=O)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C25H31NO4S/c1-30-22-9-13-24(14-10-22)31(28,29)23-11-7-19(8-12-23)25(27)20-15-17-26(18-16-20)21-5-3-2-4-6-21/h7-14,20-21H,2-6,15-18H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50451111
PNG
(CHEMBL2114067)
Show SMILES COc1ccc(cc1)[S@@+]([O-])c1ccc(cc1)C(=O)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C25H31NO3S/c1-29-22-9-13-24(14-10-22)30(28)23-11-7-19(8-12-23)25(27)20-15-17-26(18-16-20)21-5-3-2-4-6-21/h7-14,20-21H,2-6,15-18H2,1H3/t30-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50092322
PNG
(1-Cyclohexyl-4-{1-[4-(4-methoxy-phenylsulfanyl)-ph...)
Show SMILES COc1ccc(Sc2ccc(cc2)C(=C)C2CCN(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C26H33NOS/c1-20(22-16-18-27(19-17-22)23-6-4-3-5-7-23)21-8-12-25(13-9-21)29-26-14-10-24(28-2)11-15-26/h8-15,22-23H,1,3-7,16-19H2,2H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50092319
PNG
(1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfinyl)-p...)
Show SMILES COc1ccc(cc1)S(=O)c1ccc(cc1)C(C)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C25H34N2O2S/c1-20(26-16-18-27(19-17-26)22-6-4-3-5-7-22)21-8-12-24(13-9-21)30(28)25-14-10-23(29-2)11-15-25/h8-15,20,22H,3-7,16-19H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
6n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50092320
PNG
((4-Cyclohexyl-piperazin-1-yl)-[4-(4-methoxy-benzen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(C#N)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C25H31N3O3S/c1-31-22-9-13-24(14-10-22)32(29,30)23-11-7-20(8-12-23)25(19-26)28-17-15-27(16-18-28)21-5-3-2-4-6-21/h7-14,21,25H,2-6,15-18H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M3


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50451116
PNG
(CHEMBL2115126)
Show SMILES COc1ccc(cc1)[S@+]([O-])c1ccc(cc1)C(C#N)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C26H32N2O2S/c1-30-23-9-13-25(14-10-23)31(29)24-11-7-20(8-12-24)26(19-27)21-15-17-28(18-16-21)22-5-3-2-4-6-22/h7-14,21-22,26H,2-6,15-18H2,1H3/t26?,31-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50092320
PNG
((4-Cyclohexyl-piperazin-1-yl)-[4-(4-methoxy-benzen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(C#N)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C25H31N3O3S/c1-31-22-9-13-24(14-10-22)32(29,30)23-11-7-20(8-12-23)25(19-26)28-17-15-27(16-18-28)21-5-3-2-4-6-21/h7-14,21,25H,2-6,15-18H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50451109
PNG
(CHEMBL2114064)
Show SMILES COc1ccc(cc1)[S@@+]([O-])c1ccc(cc1)C(C#N)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C26H32N2O2S/c1-30-23-9-13-25(14-10-23)31(29)24-11-7-20(8-12-24)26(19-27)21-15-17-28(18-16-21)22-5-3-2-4-6-22/h7-14,21-22,26H,2-6,15-18H2,1H3/t26?,31-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50092314
PNG
((1-Cyclohexyl-piperidin-4-yl)-[4-(4-methoxy-benzen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=O)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C25H31NO4S/c1-30-22-9-13-24(14-10-22)31(28,29)23-11-7-19(8-12-23)25(27)20-15-17-26(18-16-20)21-5-3-2-4-6-21/h7-14,20-21H,2-6,15-18H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M4


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50451115
PNG
(CHEMBL2115127)
Show SMILES COc1ccc(cc1)[S@+]([O-])c1ccc(cc1)C(=O)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C25H31NO3S/c1-29-22-9-13-24(14-10-22)30(28)23-11-7-19(8-12-23)25(27)20-15-17-26(18-16-20)21-5-3-2-4-6-21/h7-14,20-21H,2-6,15-18H2,1H3/t30-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
11n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50451109
PNG
(CHEMBL2114064)
Show SMILES COc1ccc(cc1)[S@@+]([O-])c1ccc(cc1)C(C#N)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C26H32N2O2S/c1-30-23-9-13-25(14-10-23)31(29)24-11-7-20(8-12-24)26(19-27)21-15-17-28(18-16-21)22-5-3-2-4-6-22/h7-14,21-22,26H,2-6,15-18H2,1H3/t26?,31-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
13n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M4


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50092314
PNG
((1-Cyclohexyl-piperidin-4-yl)-[4-(4-methoxy-benzen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=O)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C25H31NO4S/c1-30-22-9-13-24(14-10-22)31(28,29)23-11-7-19(8-12-23)25(27)20-15-17-26(18-16-20)21-5-3-2-4-6-21/h7-14,20-21H,2-6,15-18H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
14n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M3


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50451115
PNG
(CHEMBL2115127)
Show SMILES COc1ccc(cc1)[S@+]([O-])c1ccc(cc1)C(=O)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C25H31NO3S/c1-29-22-9-13-24(14-10-22)30(28)23-11-7-19(8-12-23)25(27)20-15-17-26(18-16-20)21-5-3-2-4-6-21/h7-14,20-21H,2-6,15-18H2,1H3/t30-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
15n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M4


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50451110
PNG
(CHEMBL2111540)
Show SMILES COc1ccc(cc1)[S@@+]([O-])c1ccc(cc1)C(C#N)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C25H31N3O2S/c1-30-22-9-13-24(14-10-22)31(29)23-11-7-20(8-12-23)25(19-26)28-17-15-27(16-18-28)21-5-3-2-4-6-21/h7-14,21,25H,2-6,15-18H2,1H3/t25?,31-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
15n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M4


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50092315
PNG
((1-Cyclohexyl-piperidin-4-yl)-[4-(4-methoxy-benzen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(C#N)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C26H32N2O3S/c1-31-23-9-13-25(14-10-23)32(29,30)24-11-7-20(8-12-24)26(19-27)21-15-17-28(18-16-21)22-5-3-2-4-6-22/h7-14,21-22,26H,2-6,15-18H2,1H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
16n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50451112
PNG
(CHEMBL2114066)
Show SMILES COc1ccc(cc1)[S@+]([O-])c1ccc(cc1)C(C#N)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C25H31N3O2S/c1-30-22-9-13-24(14-10-22)31(29)23-11-7-20(8-12-23)25(19-26)28-17-15-27(16-18-28)21-5-3-2-4-6-21/h7-14,21,25H,2-6,15-18H2,1H3/t25?,31-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
17n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50451112
PNG
(CHEMBL2114066)
Show SMILES COc1ccc(cc1)[S@+]([O-])c1ccc(cc1)C(C#N)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C25H31N3O2S/c1-30-22-9-13-24(14-10-22)31(29)23-11-7-20(8-12-23)25(19-26)28-17-15-27(16-18-28)21-5-3-2-4-6-21/h7-14,21,25H,2-6,15-18H2,1H3/t25?,31-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
18n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M4


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50451111
PNG
(CHEMBL2114067)
Show SMILES COc1ccc(cc1)[S@@+]([O-])c1ccc(cc1)C(=O)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C25H31NO3S/c1-29-22-9-13-24(14-10-22)30(28)23-11-7-19(8-12-23)25(27)20-15-17-26(18-16-20)21-5-3-2-4-6-21/h7-14,20-21H,2-6,15-18H2,1H3/t30-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
18n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M4


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50092320
PNG
((4-Cyclohexyl-piperazin-1-yl)-[4-(4-methoxy-benzen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(C#N)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C25H31N3O3S/c1-31-22-9-13-24(14-10-22)32(29,30)23-11-7-20(8-12-23)25(19-26)28-17-15-27(16-18-28)21-5-3-2-4-6-21/h7-14,21,25H,2-6,15-18H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
19n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M4


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50451115
PNG
(CHEMBL2115127)
Show SMILES COc1ccc(cc1)[S@+]([O-])c1ccc(cc1)C(=O)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C25H31NO3S/c1-29-22-9-13-24(14-10-22)30(28)23-11-7-19(8-12-23)25(27)20-15-17-26(18-16-20)21-5-3-2-4-6-21/h7-14,20-21H,2-6,15-18H2,1H3/t30-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M3


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50451111
PNG
(CHEMBL2114067)
Show SMILES COc1ccc(cc1)[S@@+]([O-])c1ccc(cc1)C(=O)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C25H31NO3S/c1-29-22-9-13-24(14-10-22)30(28)23-11-7-19(8-12-23)25(27)20-15-17-26(18-16-20)21-5-3-2-4-6-21/h7-14,20-21H,2-6,15-18H2,1H3/t30-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
28n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M3


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50451110
PNG
(CHEMBL2111540)
Show SMILES COc1ccc(cc1)[S@@+]([O-])c1ccc(cc1)C(C#N)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C25H31N3O2S/c1-30-22-9-13-24(14-10-22)31(29)23-11-7-20(8-12-23)25(19-26)28-17-15-27(16-18-28)21-5-3-2-4-6-21/h7-14,21,25H,2-6,15-18H2,1H3/t25?,31-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
29n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M3


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50092314
PNG
((1-Cyclohexyl-piperidin-4-yl)-[4-(4-methoxy-benzen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=O)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C25H31NO4S/c1-30-22-9-13-24(14-10-22)31(28,29)23-11-7-19(8-12-23)25(27)20-15-17-26(18-16-20)21-5-3-2-4-6-21/h7-14,20-21H,2-6,15-18H2,1H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
31n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50451109
PNG
(CHEMBL2114064)
Show SMILES COc1ccc(cc1)[S@@+]([O-])c1ccc(cc1)C(C#N)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C26H32N2O2S/c1-30-23-9-13-25(14-10-23)31(29)24-11-7-20(8-12-24)26(19-27)21-15-17-28(18-16-21)22-5-3-2-4-6-22/h7-14,21-22,26H,2-6,15-18H2,1H3/t26?,31-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
37n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M3


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50451116
PNG
(CHEMBL2115126)
Show SMILES COc1ccc(cc1)[S@+]([O-])c1ccc(cc1)C(C#N)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C26H32N2O2S/c1-30-23-9-13-25(14-10-23)31(29)24-11-7-20(8-12-24)26(19-27)21-15-17-28(18-16-21)22-5-3-2-4-6-22/h7-14,21-22,26H,2-6,15-18H2,1H3/t26?,31-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
45n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M4


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50451116
PNG
(CHEMBL2115126)
Show SMILES COc1ccc(cc1)[S@+]([O-])c1ccc(cc1)C(C#N)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C26H32N2O2S/c1-30-23-9-13-25(14-10-23)31(29)24-11-7-20(8-12-24)26(19-27)21-15-17-28(18-16-21)22-5-3-2-4-6-22/h7-14,21-22,26H,2-6,15-18H2,1H3/t26?,31-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
59n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M3


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50451115
PNG
(CHEMBL2115127)
Show SMILES COc1ccc(cc1)[S@+]([O-])c1ccc(cc1)C(=O)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C25H31NO3S/c1-29-22-9-13-24(14-10-22)30(28)23-11-7-19(8-12-23)25(27)20-15-17-26(18-16-20)21-5-3-2-4-6-21/h7-14,20-21H,2-6,15-18H2,1H3/t30-/s2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50092320
PNG
((4-Cyclohexyl-piperazin-1-yl)-[4-(4-methoxy-benzen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(C#N)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C25H31N3O3S/c1-31-22-9-13-24(14-10-22)32(29,30)23-11-7-20(8-12-23)25(19-26)28-17-15-27(16-18-28)21-5-3-2-4-6-21/h7-14,21,25H,2-6,15-18H2,1H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
72n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50451111
PNG
(CHEMBL2114067)
Show SMILES COc1ccc(cc1)[S@@+]([O-])c1ccc(cc1)C(=O)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C25H31NO3S/c1-29-22-9-13-24(14-10-22)30(28)23-11-7-19(8-12-23)25(27)20-15-17-26(18-16-20)21-5-3-2-4-6-21/h7-14,20-21H,2-6,15-18H2,1H3/t30-/s2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
104n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50451110
PNG
(CHEMBL2111540)
Show SMILES COc1ccc(cc1)[S@@+]([O-])c1ccc(cc1)C(C#N)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C25H31N3O2S/c1-30-22-9-13-24(14-10-22)31(29)23-11-7-20(8-12-23)25(19-26)28-17-15-27(16-18-28)21-5-3-2-4-6-21/h7-14,21,25H,2-6,15-18H2,1H3/t25?,31-/s2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
112n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50451109
PNG
(CHEMBL2114064)
Show SMILES COc1ccc(cc1)[S@@+]([O-])c1ccc(cc1)C(C#N)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C26H32N2O2S/c1-30-23-9-13-25(14-10-23)31(29)24-11-7-20(8-12-24)26(19-27)21-15-17-28(18-16-21)22-5-3-2-4-6-22/h7-14,21-22,26H,2-6,15-18H2,1H3/t26?,31-/s2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
113n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50451116
PNG
(CHEMBL2115126)
Show SMILES COc1ccc(cc1)[S@+]([O-])c1ccc(cc1)C(C#N)C1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C26H32N2O2S/c1-30-23-9-13-25(14-10-23)31(29)24-11-7-20(8-12-24)26(19-27)21-15-17-28(18-16-21)22-5-3-2-4-6-22/h7-14,21-22,26H,2-6,15-18H2,1H3/t26?,31-/s2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
136n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50451112
PNG
(CHEMBL2114066)
Show SMILES COc1ccc(cc1)[S@+]([O-])c1ccc(cc1)C(C#N)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C25H31N3O2S/c1-30-22-9-13-24(14-10-22)31(29)23-11-7-20(8-12-23)25(19-26)28-17-15-27(16-18-28)21-5-3-2-4-6-21/h7-14,21,25H,2-6,15-18H2,1H3/t25?,31-/s2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
253n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50451110
PNG
(CHEMBL2111540)
Show SMILES COc1ccc(cc1)[S@@+]([O-])c1ccc(cc1)C(C#N)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1/C25H31N3O2S/c1-30-22-9-13-24(14-10-22)31(29)23-11-7-20(8-12-23)25(19-26)28-17-15-27(16-18-28)21-5-3-2-4-6-21/h7-14,21,25H,2-6,15-18H2,1H3/t25?,31-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
309n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for the binding affinity against Muscarinic acetylcholine receptor M5


Bioorg Med Chem Lett 10: 2209-12 (2001)


Article DOI: 10.1016/s0960-894x(00)00437-6
BindingDB Entry DOI: 10.7270/Q24T6HMP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%