Found 2 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M1' and Ligand = 'BDBM50151215' 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)) | BDBM50151215
(2-[6-(diethylamino)-3-(diethyliminiumyl)-3H-xanthe...)Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)N(C)CCCCCC(=O)NCCOCCOCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc45)CC3)c3ccc(cc3oc2c1)=[N+](CC)CC |(17.71,10.63,;16.39,9.86,;16.39,8.32,;17.71,7.55,;19.06,8.32,;15.07,7.55,;15.07,6.01,;13.74,5.24,;12.39,6.01,;11.07,5.24,;11.07,3.7,;12.39,2.93,;12.39,1.39,;11.03,.65,;9.71,1.43,;9.71,2.96,;8.22,3.37,;6.9,2.6,;8.22,1.84,;6.9,4.15,;11.03,-.91,;9.49,-.91,;12.55,-.91,;10.24,-2.24,;10.23,-3.77,;8.76,-1.83,;7.4,-2.6,;6.08,-1.83,;4.74,-2.57,;3.4,-1.81,;2.06,-2.57,;2.06,-4.12,;.72,-1.81,;-.62,-1.04,;-1.97,-1.79,;-3.29,-1.03,;-4.62,-1.79,;-5.97,-1,;-7.3,-1.79,;-8.65,-2.56,;-9.97,-1.77,;-11.29,-2.53,;-12.69,-1.79,;-13.98,-2.57,;-13.97,-4.1,;-15.29,-4.91,;-15.26,-6.45,;-14.18,-7.52,;-16.61,-7.26,;-17.89,-6.39,;-17.56,-4.87,;-18.68,-3.84,;-20.14,-4.3,;-20.46,-5.83,;-19.34,-6.86,;-19.89,-8.26,;-21.45,-8.25,;-19.12,-9.61,;-17.6,-9.83,;-17.24,-11.34,;-15.78,-11.77,;-14.67,-10.7,;-15,-9.21,;-16.5,-8.76,;-12.62,-4.87,;-11.29,-4.08,;9.75,6.01,;8.43,5.24,;7.07,6.01,;7.07,7.55,;8.43,8.32,;9.75,7.55,;11.07,8.32,;12.39,7.55,;13.74,8.32,;5.58,7.95,;5.58,9.51,;4.25,10.3,;4.26,7.2,;2.76,7.59,)| Show InChI InChI=1S/C58H73N9O11S2/c1-6-65(7-2)42-20-23-46-51(38-42)78-52-39-43(66(8-3)9-4)21-24-47(52)56(46)48-25-22-44(40-53(48)80(73,74)75)79(71,72)62(5)28-14-10-11-19-54(68)59-27-34-76-36-37-77-35-33-63-29-31-64(32-30-63)41-55(69)67-50-18-13-12-16-45(50)58(70)61-49-17-15-26-60-57(49)67/h12-13,15-18,20-26,38-40H,6-11,14,19,27-37,41H2,1-5H3,(H2-,59,61,68,70,73,74,75) | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UMR CNRS/ULP 7081
Curated by ChEMBL
| Assay Description
Inhibition of [3H]QNB binding to human muscarinic receptor M1 |
J Med Chem 47: 4300-15 (2004)
Article DOI: 10.1021/jm040800a
BindingDB Entry DOI: 10.7270/Q2T43TVQ |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50151215
(2-[6-(diethylamino)-3-(diethyliminiumyl)-3H-xanthe...)Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)N(C)CCCCCC(=O)NCCOCCOCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc45)CC3)c3ccc(cc3oc2c1)=[N+](CC)CC |(17.71,10.63,;16.39,9.86,;16.39,8.32,;17.71,7.55,;19.06,8.32,;15.07,7.55,;15.07,6.01,;13.74,5.24,;12.39,6.01,;11.07,5.24,;11.07,3.7,;12.39,2.93,;12.39,1.39,;11.03,.65,;9.71,1.43,;9.71,2.96,;8.22,3.37,;6.9,2.6,;8.22,1.84,;6.9,4.15,;11.03,-.91,;9.49,-.91,;12.55,-.91,;10.24,-2.24,;10.23,-3.77,;8.76,-1.83,;7.4,-2.6,;6.08,-1.83,;4.74,-2.57,;3.4,-1.81,;2.06,-2.57,;2.06,-4.12,;.72,-1.81,;-.62,-1.04,;-1.97,-1.79,;-3.29,-1.03,;-4.62,-1.79,;-5.97,-1,;-7.3,-1.79,;-8.65,-2.56,;-9.97,-1.77,;-11.29,-2.53,;-12.69,-1.79,;-13.98,-2.57,;-13.97,-4.1,;-15.29,-4.91,;-15.26,-6.45,;-14.18,-7.52,;-16.61,-7.26,;-17.89,-6.39,;-17.56,-4.87,;-18.68,-3.84,;-20.14,-4.3,;-20.46,-5.83,;-19.34,-6.86,;-19.89,-8.26,;-21.45,-8.25,;-19.12,-9.61,;-17.6,-9.83,;-17.24,-11.34,;-15.78,-11.77,;-14.67,-10.7,;-15,-9.21,;-16.5,-8.76,;-12.62,-4.87,;-11.29,-4.08,;9.75,6.01,;8.43,5.24,;7.07,6.01,;7.07,7.55,;8.43,8.32,;9.75,7.55,;11.07,8.32,;12.39,7.55,;13.74,8.32,;5.58,7.95,;5.58,9.51,;4.25,10.3,;4.26,7.2,;2.76,7.59,)| Show InChI InChI=1S/C58H73N9O11S2/c1-6-65(7-2)42-20-23-46-51(38-42)78-52-39-43(66(8-3)9-4)21-24-47(52)56(46)48-25-22-44(40-53(48)80(73,74)75)79(71,72)62(5)28-14-10-11-19-54(68)59-27-34-76-36-37-77-35-33-63-29-31-64(32-30-63)41-55(69)67-50-18-13-12-16-45(50)58(70)61-49-17-15-26-60-57(49)67/h12-13,15-18,20-26,38-40H,6-11,14,19,27-37,41H2,1-5H3,(H2-,59,61,68,70,73,74,75) | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a |
UMR CNRS/ULP 7081
Curated by ChEMBL
| Assay Description
Apparent dissociation constant for human muscarinic receptor M1 from FRET based binding assay |
J Med Chem 47: 4300-15 (2004)
Article DOI: 10.1021/jm040800a
BindingDB Entry DOI: 10.7270/Q2T43TVQ |
More data for this
Ligand-Target Pair | |
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