Found 4 hits for monomerid = 50401040 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50401040
(CHEMBL2206333)Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC3CCN(CCCC(=O)c4ccccc4C)CC3)c3ccc(cc3oc2c1)=[N+](CC)CC |(39.75,-15.81,;41.08,-16.58,;42.41,-15.81,;42.41,-14.27,;41.08,-13.5,;43.75,-16.58,;43.74,-18.13,;45.08,-18.9,;46.42,-18.13,;47.76,-18.9,;47.76,-20.44,;46.43,-21.2,;46.44,-22.74,;47.77,-23.51,;49.11,-22.73,;49.1,-21.19,;50.42,-20.41,;51.77,-21.17,;49.65,-19.07,;51.19,-19.07,;47.77,-25.04,;47.37,-26.53,;46.28,-25.44,;49.1,-25.81,;49.1,-27.35,;47.76,-28.12,;46.43,-27.35,;45.1,-28.12,;43.76,-27.35,;42.43,-28.12,;41.11,-27.34,;39.77,-28.1,;39.77,-29.65,;38.43,-30.41,;37.1,-29.63,;35.76,-30.4,;34.43,-29.62,;34.44,-28.08,;33.09,-30.38,;33.09,-31.92,;31.76,-32.68,;30.42,-31.91,;30.43,-30.36,;31.77,-29.6,;31.78,-28.06,;41.1,-30.42,;42.44,-29.66,;49.1,-18.12,;50.44,-18.9,;51.79,-18.12,;51.79,-16.56,;50.44,-15.78,;49.1,-16.56,;47.75,-15.79,;46.41,-16.58,;45.08,-15.81,;53.12,-15.79,;53.12,-14.25,;54.46,-13.48,;54.46,-16.56,;55.79,-15.79,)| Show InChI InChI=1S/C48H62N4O7S2/c1-6-51(7-2)37-20-23-41-45(32-37)59-46-33-38(52(8-3)9-4)21-24-42(46)48(41)43-25-22-39(34-47(43)61(56,57)58)60(54,55)49-28-14-10-11-17-36-26-30-50(31-27-36)29-15-19-44(53)40-18-13-12-16-35(40)5/h12-13,16,18,20-25,32-34,36,49H,6-11,14-15,17,19,26-31H2,1-5H3 | UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Strasbourg
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells after 22 hrs by liquid scinti... |
J Med Chem 55: 2125-43 (2012)
Article DOI: 10.1021/jm201348t
BindingDB Entry DOI: 10.7270/Q2XW4KZ2 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50401040
(CHEMBL2206333)Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC3CCN(CCCC(=O)c4ccccc4C)CC3)c3ccc(cc3oc2c1)=[N+](CC)CC |(39.75,-15.81,;41.08,-16.58,;42.41,-15.81,;42.41,-14.27,;41.08,-13.5,;43.75,-16.58,;43.74,-18.13,;45.08,-18.9,;46.42,-18.13,;47.76,-18.9,;47.76,-20.44,;46.43,-21.2,;46.44,-22.74,;47.77,-23.51,;49.11,-22.73,;49.1,-21.19,;50.42,-20.41,;51.77,-21.17,;49.65,-19.07,;51.19,-19.07,;47.77,-25.04,;47.37,-26.53,;46.28,-25.44,;49.1,-25.81,;49.1,-27.35,;47.76,-28.12,;46.43,-27.35,;45.1,-28.12,;43.76,-27.35,;42.43,-28.12,;41.11,-27.34,;39.77,-28.1,;39.77,-29.65,;38.43,-30.41,;37.1,-29.63,;35.76,-30.4,;34.43,-29.62,;34.44,-28.08,;33.09,-30.38,;33.09,-31.92,;31.76,-32.68,;30.42,-31.91,;30.43,-30.36,;31.77,-29.6,;31.78,-28.06,;41.1,-30.42,;42.44,-29.66,;49.1,-18.12,;50.44,-18.9,;51.79,-18.12,;51.79,-16.56,;50.44,-15.78,;49.1,-16.56,;47.75,-15.79,;46.41,-16.58,;45.08,-15.81,;53.12,-15.79,;53.12,-14.25,;54.46,-13.48,;54.46,-16.56,;55.79,-15.79,)| Show InChI InChI=1S/C48H62N4O7S2/c1-6-51(7-2)37-20-23-41-45(32-37)59-46-33-38(52(8-3)9-4)21-24-42(46)48(41)43-25-22-39(34-47(43)61(56,57)58)60(54,55)49-28-14-10-11-17-36-26-30-50(31-27-36)29-15-19-44(53)40-18-13-12-16-35(40)5/h12-13,16,18,20-25,32-34,36,49H,6-11,14-15,17,19,26-31H2,1-5H3 | UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | n/a | 794 | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Binding affinity to EGFP-fused human muscarinic M1 receptor |
J Med Chem 63: 4133-4154 (2020)
|
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50401040
(CHEMBL2206333)Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC3CCN(CCCC(=O)c4ccccc4C)CC3)c3ccc(cc3oc2c1)=[N+](CC)CC |(39.75,-15.81,;41.08,-16.58,;42.41,-15.81,;42.41,-14.27,;41.08,-13.5,;43.75,-16.58,;43.74,-18.13,;45.08,-18.9,;46.42,-18.13,;47.76,-18.9,;47.76,-20.44,;46.43,-21.2,;46.44,-22.74,;47.77,-23.51,;49.11,-22.73,;49.1,-21.19,;50.42,-20.41,;51.77,-21.17,;49.65,-19.07,;51.19,-19.07,;47.77,-25.04,;47.37,-26.53,;46.28,-25.44,;49.1,-25.81,;49.1,-27.35,;47.76,-28.12,;46.43,-27.35,;45.1,-28.12,;43.76,-27.35,;42.43,-28.12,;41.11,-27.34,;39.77,-28.1,;39.77,-29.65,;38.43,-30.41,;37.1,-29.63,;35.76,-30.4,;34.43,-29.62,;34.44,-28.08,;33.09,-30.38,;33.09,-31.92,;31.76,-32.68,;30.42,-31.91,;30.43,-30.36,;31.77,-29.6,;31.78,-28.06,;41.1,-30.42,;42.44,-29.66,;49.1,-18.12,;50.44,-18.9,;51.79,-18.12,;51.79,-16.56,;50.44,-15.78,;49.1,-16.56,;47.75,-15.79,;46.41,-16.58,;45.08,-15.81,;53.12,-15.79,;53.12,-14.25,;54.46,-13.48,;54.46,-16.56,;55.79,-15.79,)| Show InChI InChI=1S/C48H62N4O7S2/c1-6-51(7-2)37-20-23-41-45(32-37)59-46-33-38(52(8-3)9-4)21-24-42(46)48(41)43-25-22-39(34-47(43)61(56,57)58)60(54,55)49-28-14-10-11-17-36-26-30-50(31-27-36)29-15-19-44(53)40-18-13-12-16-35(40)5/h12-13,16,18,20-25,32-34,36,49H,6-11,14-15,17,19,26-31H2,1-5H3 | UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Strasbourg
Curated by ChEMBL
| Assay Description
Antagonist activity at EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells assessed as inhibition of carbachol... |
J Med Chem 55: 2125-43 (2012)
Article DOI: 10.1021/jm201348t
BindingDB Entry DOI: 10.7270/Q2XW4KZ2 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50401040
(CHEMBL2206333)Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC3CCN(CCCC(=O)c4ccccc4C)CC3)c3ccc(cc3oc2c1)=[N+](CC)CC |(39.75,-15.81,;41.08,-16.58,;42.41,-15.81,;42.41,-14.27,;41.08,-13.5,;43.75,-16.58,;43.74,-18.13,;45.08,-18.9,;46.42,-18.13,;47.76,-18.9,;47.76,-20.44,;46.43,-21.2,;46.44,-22.74,;47.77,-23.51,;49.11,-22.73,;49.1,-21.19,;50.42,-20.41,;51.77,-21.17,;49.65,-19.07,;51.19,-19.07,;47.77,-25.04,;47.37,-26.53,;46.28,-25.44,;49.1,-25.81,;49.1,-27.35,;47.76,-28.12,;46.43,-27.35,;45.1,-28.12,;43.76,-27.35,;42.43,-28.12,;41.11,-27.34,;39.77,-28.1,;39.77,-29.65,;38.43,-30.41,;37.1,-29.63,;35.76,-30.4,;34.43,-29.62,;34.44,-28.08,;33.09,-30.38,;33.09,-31.92,;31.76,-32.68,;30.42,-31.91,;30.43,-30.36,;31.77,-29.6,;31.78,-28.06,;41.1,-30.42,;42.44,-29.66,;49.1,-18.12,;50.44,-18.9,;51.79,-18.12,;51.79,-16.56,;50.44,-15.78,;49.1,-16.56,;47.75,-15.79,;46.41,-16.58,;45.08,-15.81,;53.12,-15.79,;53.12,-14.25,;54.46,-13.48,;54.46,-16.56,;55.79,-15.79,)| Show InChI InChI=1S/C48H62N4O7S2/c1-6-51(7-2)37-20-23-41-45(32-37)59-46-33-38(52(8-3)9-4)21-24-42(46)48(41)43-25-22-39(34-47(43)61(56,57)58)60(54,55)49-28-14-10-11-17-36-26-30-50(31-27-36)29-15-19-44(53)40-18-13-12-16-35(40)5/h12-13,16,18,20-25,32-34,36,49H,6-11,14-15,17,19,26-31H2,1-5H3 | UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.51E+4 | n/a | n/a | n/a | n/a |
Universit£ de Strasbourg
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells assessed as reduction of [3H]... |
J Med Chem 55: 2125-43 (2012)
Article DOI: 10.1021/jm201348t
BindingDB Entry DOI: 10.7270/Q2XW4KZ2 |
More data for this
Ligand-Target Pair | |
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