Found 2 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM228851' 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 M3
(Homo sapiens (Human)) | BDBM228851
(US9333195, 20 | US9687478, 20)Show SMILES OC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1ccco1)c1ccccc1 |wU:5.4,TLB:4:5:18.19:21.22,(6.24,-.27,;5.28,.94,;4.08,-.02,;2.64,.54,;4.31,-1.55,;3.1,-2.51,;3.39,-3.93,;1.99,-3.28,;1.97,-4.82,;.62,-5.57,;-.7,-4.78,;-2.05,-5.53,;-3.37,-4.74,;-4.71,-5.49,;-6.04,-4.7,;-6.01,-3.16,;-4.67,-2.41,;-3.35,-3.2,;2.25,-1.34,;1.79,-.21,;1.72,-1.89,;.22,-2.54,;.42,-3.95,;4.32,2.14,;2.78,2.07,;2.24,3.51,;3.45,4.47,;4.73,3.62,;6.49,1.9,;6.26,3.42,;7.46,4.38,;8.9,3.81,;9.12,2.29,;7.92,1.33,)| Show InChI InChI=1S/C28H32NO5/c30-27(28(31,26-13-7-19-33-26)23-9-3-1-4-10-23)34-25-21-29(17-14-22(25)15-18-29)16-8-20-32-24-11-5-2-6-12-24/h1-7,9-13,19,22,25,31H,8,14-18,20-21H2/q+1/t22?,25-,28?,29?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 6.80 | n/a | n/a | n/a | n/a | n/a | 25 |
ALMIRALL, S.A.
US Patent
| Assay Description
Assays were carried out at 25° C. Membrane preparations from stably transfected chinese hamster ovary-K1 cells (CHO) expressing the genes for the... |
US Patent US9687478 (2017)
BindingDB Entry DOI: 10.7270/Q2RV0KV9 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM228851
(US9333195, 20 | US9687478, 20)Show SMILES OC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1ccco1)c1ccccc1 |wU:5.4,TLB:4:5:18.19:21.22,(6.24,-.27,;5.28,.94,;4.08,-.02,;2.64,.54,;4.31,-1.55,;3.1,-2.51,;3.39,-3.93,;1.99,-3.28,;1.97,-4.82,;.62,-5.57,;-.7,-4.78,;-2.05,-5.53,;-3.37,-4.74,;-4.71,-5.49,;-6.04,-4.7,;-6.01,-3.16,;-4.67,-2.41,;-3.35,-3.2,;2.25,-1.34,;1.79,-.21,;1.72,-1.89,;.22,-2.54,;.42,-3.95,;4.32,2.14,;2.78,2.07,;2.24,3.51,;3.45,4.47,;4.73,3.62,;6.49,1.9,;6.26,3.42,;7.46,4.38,;8.9,3.81,;9.12,2.29,;7.92,1.33,)| Show InChI InChI=1S/C28H32NO5/c30-27(28(31,26-13-7-19-33-26)23-9-3-1-4-10-23)34-25-21-29(17-14-22(25)15-18-29)16-8-20-32-24-11-5-2-6-12-24/h1-7,9-13,19,22,25,31H,8,14-18,20-21H2/q+1/t22?,25-,28?,29?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
ALMIRALL, S.A.
US Patent
| Assay Description
The binding of [3H]-NMS to human muscarinic receptors was performed according to Waelbroek et al (1990) (1). Assays were carried out at 25° C. Membra... |
US Patent US9333195 (2016)
BindingDB Entry DOI: 10.7270/Q2GF0SDB |
More data for this
Ligand-Target Pair | |
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