Found 2 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M1' and Ligand = 'BDBM50557934' 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)) | BDBM50557934
(CHEMBL4794548)Show SMILES Cc1scc2c1N(C(=O)CN1CCN(CCCCCCCCCCNC(=O)c3ccc(c(c3)C(O)=O)-c3c4ccc(N)c(c4oc4c(c(=N)ccc34)S(O)(=O)=O)S(O)(=O)=O)CC1)c1ccccc1NC2=O |(36.93,-9.73,;38.19,-8.84,;39.64,-9.34,;40.57,-8.11,;39.69,-6.85,;38.21,-7.3,;36.93,-6.44,;35.6,-7.21,;35.6,-8.75,;34.27,-6.44,;32.93,-7.21,;32.93,-8.75,;31.6,-9.52,;30.26,-8.75,;28.93,-9.52,;27.6,-8.76,;26.27,-9.53,;24.93,-8.77,;23.6,-9.54,;22.26,-8.77,;20.93,-9.55,;19.6,-8.78,;18.27,-9.56,;16.93,-8.79,;15.6,-9.57,;15.6,-11.12,;16.95,-11.89,;14.27,-11.9,;12.92,-11.13,;11.59,-11.91,;11.58,-13.46,;12.93,-14.23,;14.27,-13.46,;12.93,-15.78,;14.27,-16.56,;12.51,-17.27,;10.25,-14.22,;10.25,-15.77,;11.58,-16.55,;11.58,-18.09,;10.24,-18.86,;10.23,-20.41,;8.9,-18.09,;8.9,-16.54,;7.56,-15.76,;7.57,-14.21,;6.26,-13.45,;6.26,-11.92,;4.92,-11.13,;7.59,-11.14,;8.92,-11.93,;8.91,-13.46,;4.91,-14.21,;3.57,-13.44,;5.74,-15.5,;4.13,-15.54,;7.54,-18.84,;6.22,-18.07,;8.31,-20.18,;6.77,-20.18,;30.26,-7.21,;31.6,-6.44,;36.83,-4.92,;35.36,-4.47,;35.01,-2.98,;36.14,-1.92,;37.61,-2.37,;37.95,-3.87,;39.48,-4.08,;40.24,-5.42,;41.78,-5.3,)| | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]NMS from human recombinant muscarinic receptor M1 expressed in CHO-K9 cell membranes measured after 3 hrs by radioligand competit... |
Citation and Details
Article DOI: 10.1039/d0md00137f
BindingDB Entry DOI: 10.7270/Q2ZS316G |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50557934
(CHEMBL4794548)Show SMILES Cc1scc2c1N(C(=O)CN1CCN(CCCCCCCCCCNC(=O)c3ccc(c(c3)C(O)=O)-c3c4ccc(N)c(c4oc4c(c(=N)ccc34)S(O)(=O)=O)S(O)(=O)=O)CC1)c1ccccc1NC2=O |(36.93,-9.73,;38.19,-8.84,;39.64,-9.34,;40.57,-8.11,;39.69,-6.85,;38.21,-7.3,;36.93,-6.44,;35.6,-7.21,;35.6,-8.75,;34.27,-6.44,;32.93,-7.21,;32.93,-8.75,;31.6,-9.52,;30.26,-8.75,;28.93,-9.52,;27.6,-8.76,;26.27,-9.53,;24.93,-8.77,;23.6,-9.54,;22.26,-8.77,;20.93,-9.55,;19.6,-8.78,;18.27,-9.56,;16.93,-8.79,;15.6,-9.57,;15.6,-11.12,;16.95,-11.89,;14.27,-11.9,;12.92,-11.13,;11.59,-11.91,;11.58,-13.46,;12.93,-14.23,;14.27,-13.46,;12.93,-15.78,;14.27,-16.56,;12.51,-17.27,;10.25,-14.22,;10.25,-15.77,;11.58,-16.55,;11.58,-18.09,;10.24,-18.86,;10.23,-20.41,;8.9,-18.09,;8.9,-16.54,;7.56,-15.76,;7.57,-14.21,;6.26,-13.45,;6.26,-11.92,;4.92,-11.13,;7.59,-11.14,;8.92,-11.93,;8.91,-13.46,;4.91,-14.21,;3.57,-13.44,;5.74,-15.5,;4.13,-15.54,;7.54,-18.84,;6.22,-18.07,;8.31,-20.18,;6.77,-20.18,;30.26,-7.21,;31.6,-6.44,;36.83,-4.92,;35.36,-4.47,;35.01,-2.98,;36.14,-1.92,;37.61,-2.37,;37.95,-3.87,;39.48,-4.08,;40.24,-5.42,;41.78,-5.3,)| | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]NMS from human recombinant muscarinic receptor M2 expressed in CHO-K9 cell membranes measured after 3 hrs by radioligand competit... |
Citation and Details
Article DOI: 10.1039/d0md00137f
BindingDB Entry DOI: 10.7270/Q2ZS316G |
More data for this
Ligand-Target Pair | |
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