Found 18052 hits Enz. Inhib. hit(s) with Target = 'Cholinergic, muscarinic' 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)) | BDBM50412728
(CHEMBL521523)Show SMILES C[C@H]1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CC4CCNCC4)c3)ccc2F)CCN1 |r| Show InChI InChI=1S/C32H39FN4O/c1-23-21-37(15-14-35-23)22-27-5-3-6-28(18-27)30-19-26(8-9-31(30)33)20-36-32(38)29-7-2-4-25(17-29)16-24-10-12-34-13-11-24/h2-9,17-19,23-24,34-35H,10-16,20-22H2,1H3,(H,36,38)/t23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 0.0100 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili... |
Bioorg Med Chem Lett 19: 1686-90 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50413109
(CHEMBL553448)Show SMILES C[N+]1(Cc2ccc(O)cc2)CCC[C@@H](C1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Nc1ccc(s1)C(=O)OC1CCCCC1 |r| Show InChI InChI=1S/C34H42N4O6S/c1-38(21-24-11-15-27(40)16-12-24)19-5-6-25(22-38)35-32(41)29(20-23-9-13-26(39)14-10-23)36-34(43)37-31-18-17-30(45-31)33(42)44-28-7-3-2-4-8-28/h9-18,25,28-29H,2-8,19-22H2,1H3,(H4-,35,36,37,39,40,41,42,43)/p+1/t25-,29-,38?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced intracellular ... |
Bioorg Med Chem Lett 18: 5481-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.020
BindingDB Entry DOI: 10.7270/Q23B61CM |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50381652
(CHEMBL2023760)Show SMILES C[N@+]1(CC2CC2)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wU:1.1,wD:11.13,1.0,TLB:0:1:11.10.28:8.7,THB:2:1:11.10.28:8.7,12:11:1:8.7,(16.85,-39.66,;18.34,-40.07,;19.1,-38.73,;18.32,-37.4,;18.31,-35.87,;16.98,-36.65,;19.4,-40.91,;18.8,-42.24,;17.62,-42.96,;18.6,-41.61,;20.45,-41.61,;21.43,-42.42,;22.2,-43.75,;23.74,-43.75,;24.13,-42.25,;24.53,-40.75,;24.52,-45.08,;23.75,-46.41,;24.52,-47.74,;26.06,-47.74,;26.83,-46.4,;26.05,-45.07,;25.22,-43.34,;26.32,-44.42,;27.8,-44.02,;28.19,-42.53,;27.08,-41.44,;25.6,-41.86,;21.16,-40.87,)| Show InChI InChI=1S/C27H33N2/c1-29(19-21-12-13-21)25-14-15-26(29)17-22(16-25)18-27(20-28,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-11,21-22,25-26H,12-19H2,1H3/q+1/t22-,25?,26?,29- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 0.0251 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist potency at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium mobilization by... |
Bioorg Med Chem Lett 22: 3366-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.015
BindingDB Entry DOI: 10.7270/Q2C82B9Q |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50083652
(CHEMBL112297 | Hexadecanoic acid (S)-2-benzyloxyca...)Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)CCCCCCCCCCCCC)C(=O)OCc1ccccc1 Show InChI InChI=1S/C42H72N2O6/c1-3-5-7-9-11-13-15-16-18-20-22-24-29-33-41(47)49-36-38(42(48)50-35-37-30-26-25-27-31-37)44-40(46)34-43-39(45)32-28-23-21-19-17-14-12-10-8-6-4-2/h25-27,30-31,38H,3-24,28-29,32-36H2,1-2H3,(H,43,45)(H,44,46)/t38-/m0/s1 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a | n/a |
University of Toledo
Curated by ChEMBL
| Assay Description
Binding of [3H]-QNB to HM1 receptor was evaluated by saturation binding assay |
Bioorg Med Chem Lett 9: 3363-8 (2000)
BindingDB Entry DOI: 10.7270/Q2668CDH |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50413457
(CHEMBL521696)Show SMILES CC1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CN4CCN(C)CC4)c3)ccc2F)CCN1 Show InChI InChI=1S/C32H40FN5O/c1-24-21-38(12-11-34-24)23-26-5-3-7-28(17-26)30-19-25(9-10-31(30)33)20-35-32(39)29-8-4-6-27(18-29)22-37-15-13-36(2)14-16-37/h3-10,17-19,24,34H,11-16,20-23H2,1-2H3,(H,35,39) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 0.0316 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili... |
Bioorg Med Chem Lett 19: 1686-90 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50381653
(CHEMBL2021997)Show SMILES C[N@+]1(CCCOCc2ccccc2)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wU:1.1,wD:18.20,1.0,TLB:0:1:18.17.35:15.14,THB:2:1:18.17.35:15.14,19:18:1:15.14,(6.69,-36.05,;8.18,-36.46,;8.95,-35.12,;8.17,-33.79,;8.93,-32.45,;8.15,-31.12,;8.91,-29.78,;8.13,-28.46,;8.9,-27.12,;8.12,-25.79,;6.58,-25.8,;5.82,-27.15,;6.6,-28.47,;9.24,-37.29,;8.64,-38.63,;7.46,-39.34,;8.45,-38,;10.29,-38,;11.26,-38.8,;12.04,-40.14,;13.58,-40.13,;13.97,-38.64,;14.36,-37.14,;14.35,-41.47,;13.58,-42.79,;14.35,-44.13,;15.9,-44.12,;16.66,-42.78,;15.89,-41.45,;15.06,-39.72,;16.15,-40.81,;17.63,-40.4,;18.02,-38.91,;16.92,-37.83,;15.44,-38.24,;11,-37.26,)| Show InChI InChI=1S/C33H39N2O/c1-35(20-11-21-36-25-27-12-5-2-6-13-27)31-18-19-32(35)23-28(22-31)24-33(26-34,29-14-7-3-8-15-29)30-16-9-4-10-17-30/h2-10,12-17,28,31-32H,11,18-25H2,1H3/q+1/t28-,31?,32?,35- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.0398 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist potency at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium mobilization by... |
Bioorg Med Chem Lett 22: 3366-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.015
BindingDB Entry DOI: 10.7270/Q2C82B9Q |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50083651
((S)-3-Hydroxy-2-(2-tetradecanoylamino-acetylamino)...)Show SMILES CCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)OCc1ccccc1 Show InChI InChI=1S/C26H42N2O5/c1-2-3-4-5-6-7-8-9-10-11-15-18-24(30)27-19-25(31)28-23(20-29)26(32)33-21-22-16-13-12-14-17-22/h12-14,16-17,23,29H,2-11,15,18-21H2,1H3,(H,27,30)(H,28,31)/t23-/m0/s1 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a | n/a |
University of Toledo
Curated by ChEMBL
| Assay Description
Binding of [3H]-QNB to HM1 receptor was evaluated by saturation binding assay |
Bioorg Med Chem Lett 9: 3363-8 (2000)
BindingDB Entry DOI: 10.7270/Q2668CDH |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50381640
(CHEMBL2023613)Show SMILES CCC[N+]1(C)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wD:10.11,TLB:4:3:10.9.27:7.6,THB:2:3:10.9.27:7.6,11:10:3:7.6,(34.82,5.42,;34.06,4.08,;34.84,2.75,;34.08,1.42,;32.58,1.82,;35.13,.58,;34.53,-.76,;33.35,-1.47,;34.34,-.12,;36.18,-.12,;37.16,-.93,;37.93,-2.26,;39.47,-2.26,;39.86,-.76,;40.26,.74,;40.25,-3.59,;39.48,-4.92,;40.25,-6.26,;41.79,-6.25,;42.56,-4.91,;41.78,-3.58,;40.95,-1.85,;42.05,-2.94,;43.53,-2.53,;43.92,-1.04,;42.81,.04,;41.34,-.37,;36.89,.61,)| Show InChI InChI=1S/C26H33N2/c1-3-16-28(2)24-14-15-25(28)18-21(17-24)19-26(20-27,22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-13,21,24-25H,3,14-19H2,1-2H3/q+1/t21-,24?,25?,28? | PDB
Reactome pathway
KEGG
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | 0.0501 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist potency at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium mobilization by... |
Bioorg Med Chem Lett 22: 3366-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.015
BindingDB Entry DOI: 10.7270/Q2C82B9Q |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50381646
(CHEMBL2023749)Show SMILES C[N+]1(CC2CC2)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wD:11.13,TLB:0:1:11.10.28:8.7,THB:2:1:11.10.28:8.7,12:11:1:8.7,(5.68,2.81,;7.18,2.4,;7.94,3.74,;7.16,5.07,;7.16,6.61,;5.83,5.83,;8.23,1.57,;7.63,.23,;6.45,-.48,;7.44,.86,;9.28,.86,;10.26,.06,;11.04,-1.28,;12.58,-1.27,;12.97,.23,;13.36,1.72,;13.35,-2.61,;12.58,-3.94,;13.35,-5.27,;14.9,-5.27,;15.66,-3.92,;14.89,-2.59,;14.06,-.86,;15.15,-1.95,;16.63,-1.54,;17.02,-.05,;15.92,1.03,;14.44,.62,;10,1.6,)| Show InChI InChI=1S/C27H33N2/c1-29(19-21-12-13-21)25-14-15-26(29)17-22(16-25)18-27(20-28,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-11,21-22,25-26H,12-19H2,1H3/q+1/t22-,25?,26?,29? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 0.0501 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist potency at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium mobilization by... |
Bioorg Med Chem Lett 22: 3366-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.015
BindingDB Entry DOI: 10.7270/Q2C82B9Q |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50413109
(CHEMBL553448)Show SMILES C[N+]1(Cc2ccc(O)cc2)CCC[C@@H](C1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Nc1ccc(s1)C(=O)OC1CCCCC1 |r| Show InChI InChI=1S/C34H42N4O6S/c1-38(21-24-11-15-27(40)16-12-24)19-5-6-25(22-38)35-32(41)29(20-23-9-13-26(39)14-10-23)36-34(43)37-31-18-17-30(45-31)33(42)44-28-7-3-2-4-8-28/h9-18,25,28-29H,2-8,19-22H2,1H3,(H4-,35,36,37,39,40,41,42,43)/p+1/t25-,29-,38?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 0.0501 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant muscarinic M2 receptor expressed in CHO cells coexpressing chimeric G protein Gqi5 assessed as inhibition of... |
Bioorg Med Chem Lett 18: 5481-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.020
BindingDB Entry DOI: 10.7270/Q23B61CM |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50381647
(CHEMBL2023612)Show SMILES CC[N+]1(C)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wD:9.10,TLB:3:2:9.8.26:6.5,THB:1:2:9.8.26:6.5,10:9:2:6.5,(20.18,4.9,;20.96,3.57,;20.2,2.23,;18.7,2.64,;21.25,1.4,;20.65,.06,;19.47,-.65,;20.46,.69,;22.3,.69,;23.28,-.12,;24.05,-1.45,;25.59,-1.44,;25.99,.05,;26.38,1.55,;26.37,-2.78,;25.6,-4.11,;26.37,-5.44,;27.91,-5.44,;28.68,-4.09,;27.9,-2.76,;27.08,-1.04,;28.17,-2.12,;29.65,-1.71,;30.04,-.22,;28.93,.86,;27.46,.45,;23.01,1.43,)| Show InChI InChI=1S/C25H31N2/c1-3-27(2)23-14-15-24(27)17-20(16-23)18-25(19-26,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,20,23-24H,3,14-18H2,1-2H3/q+1/t20-,23?,24?,27? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 0.0501 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist potency at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium mobilization by... |
Bioorg Med Chem Lett 22: 3366-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.015
BindingDB Entry DOI: 10.7270/Q2C82B9Q |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50601574
(CHEMBL5201074)Show SMILES Cl.Cl.C[C@@H](NC(=O)\N=C(/N)NCCCc1ncn[nH]1)c1ccccc1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.0520 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50568740
(CHEMBL4860528) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.0520 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50601551
(CHEMBL5207281)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCCNC(=O)\N=C(/N)NCCCc1nnc(N)s1 | PDB
Reactome pathway
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UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.0520 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50601567
(CHEMBL5206565)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1 | PDB
Reactome pathway
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UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.0520 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50413458
(CHEMBL508097)Show SMILES CC1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CN4CCN(CCCO)CC4)c3)ccc2F)CCN1 Show InChI InChI=1S/C34H44FN5O2/c1-26-23-40(13-11-36-26)25-28-5-2-7-30(19-28)32-21-27(9-10-33(32)35)22-37-34(42)31-8-3-6-29(20-31)24-39-16-14-38(15-17-39)12-4-18-41/h2-3,5-10,19-21,26,36,41H,4,11-18,22-25H2,1H3,(H,37,42) | PDB
Reactome pathway
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| CHEMBL
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| Article
PubMed
| n/a | n/a | n/a | 0.0631 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili... |
Bioorg Med Chem Lett 19: 1686-90 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50413461
(CHEMBL495350)Show SMILES CC1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CN4CCN(CC4)C=O)c3)ccc2F)CCN1 Show InChI InChI=1S/C32H38FN5O2/c1-24-20-38(11-10-34-24)22-26-4-2-6-28(16-26)30-18-25(8-9-31(30)33)19-35-32(40)29-7-3-5-27(17-29)21-36-12-14-37(23-39)15-13-36/h2-9,16-18,23-24,34H,10-15,19-22H2,1H3,(H,35,40) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 0.0794 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili... |
Bioorg Med Chem Lett 19: 1686-90 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50413468
(CHEMBL554706)Show SMILES C[C@H]1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CN4CC[N+](C)(Cc5ccccc5)CC4)c3)ccc2F)CCN1 |r| Show InChI InChI=1S/C39H46FN5O/c1-30-26-44(17-16-41-30)28-33-10-6-12-35(22-33)37-24-32(14-15-38(37)40)25-42-39(46)36-13-7-11-34(23-36)27-43-18-20-45(2,21-19-43)29-31-8-4-3-5-9-31/h3-15,22-24,30,41H,16-21,25-29H2,1-2H3/p+1/t30-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 0.0794 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili... |
Bioorg Med Chem Lett 19: 1686-90 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50381655
(CHEMBL2021998)Show SMILES CCCCCCCC[N@@+]1(C)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wU:8.7,wD:15.16,8.8,TLB:9:8:15.14.32:12.11,THB:7:8:15.14.32:12.11,16:15:8:12.11,(22.9,-27.86,;23.68,-29.18,;22.92,-30.52,;23.69,-31.85,;22.93,-33.19,;23.71,-34.52,;22.95,-35.86,;23.73,-37.19,;22.97,-38.52,;21.47,-38.12,;24.02,-39.36,;23.42,-40.7,;22.24,-41.41,;23.23,-40.06,;25.07,-40.06,;26.05,-40.87,;26.82,-42.2,;28.36,-42.2,;28.75,-40.7,;29.15,-39.2,;29.14,-43.53,;28.37,-44.86,;29.14,-46.19,;30.68,-46.19,;31.45,-44.84,;30.67,-43.52,;29.84,-41.79,;30.94,-42.87,;32.42,-42.47,;32.8,-40.98,;31.7,-39.9,;30.22,-40.31,;25.78,-39.32,)| Show InChI InChI=1S/C31H43N2/c1-3-4-5-6-7-14-21-33(2)29-19-20-30(33)23-26(22-29)24-31(25-32,27-15-10-8-11-16-27)28-17-12-9-13-18-28/h8-13,15-18,26,29-30H,3-7,14,19-24H2,1-2H3/q+1/t26-,29?,30?,33- | PDB
Reactome pathway
KEGG
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 0.0794 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist potency at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium mobilization by... |
Bioorg Med Chem Lett 22: 3366-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.015
BindingDB Entry DOI: 10.7270/Q2C82B9Q |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50413467
(CHEMBL540251)Show SMILES CCC[N+]1(C)CCN(Cc2cccc(c2)C(=O)NCc2ccc(F)c(c2)-c2cccc(CN3CCN[C@@H](C)C3)c2)CC1 |r| Show InChI InChI=1S/C35H46FN5O/c1-4-17-41(3)18-15-39(16-19-41)25-30-8-6-10-32(21-30)35(42)38-23-28-11-12-34(36)33(22-28)31-9-5-7-29(20-31)26-40-14-13-37-27(2)24-40/h5-12,20-22,27,37H,4,13-19,23-26H2,1-3H3/p+1/t27-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili... |
Bioorg Med Chem Lett 19: 1686-90 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50413108
(CHEMBL540145)Show SMILES CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](CC=C)(Cc3cccc(O)c3)C2)cc1 |r| Show InChI InChI=1S/C35H42N4O6/c1-4-18-39(22-26-7-5-9-31(41)20-26)19-6-8-29(23-39)36-33(42)32(21-25-10-16-30(40)17-11-25)38-35(44)37-28-14-12-27(13-15-28)34(43)45-24(2)3/h4-5,7,9-17,20,24,29,32H,1,6,8,18-19,21-23H2,2-3H3,(H4-,36,37,38,40,41,42,43,44)/p+1/t29-,32-,39?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced intracellular ... |
Bioorg Med Chem Lett 18: 5481-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.020
BindingDB Entry DOI: 10.7270/Q23B61CM |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50601574
(CHEMBL5201074)Show SMILES Cl.Cl.C[C@@H](NC(=O)\N=C(/N)NCCCc1ncn[nH]1)c1ccccc1 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50601567
(CHEMBL5206565)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50601551
(CHEMBL5207281)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCCNC(=O)\N=C(/N)NCCCc1nnc(N)s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50568740
(CHEMBL4860528) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50413110
(CHEMBL540148)Show SMILES CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(O)cc3)C2)s1 |r| Show InChI InChI=1S/C31H38N4O6S/c1-20(2)41-30(39)27-14-15-28(42-27)34-31(40)33-26(17-21-6-10-24(36)11-7-21)29(38)32-23-5-4-16-35(3,19-23)18-22-8-12-25(37)13-9-22/h6-15,20,23,26H,4-5,16-19H2,1-3H3,(H4-,32,33,34,36,37,38,39,40)/p+1/t23-,26-,35?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced intracellular ... |
Bioorg Med Chem Lett 18: 5481-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.020
BindingDB Entry DOI: 10.7270/Q23B61CM |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50601574
(CHEMBL5201074)Show SMILES Cl.Cl.C[C@@H](NC(=O)\N=C(/N)NCCCc1ncn[nH]1)c1ccccc1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50601567
(CHEMBL5206565)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50601551
(CHEMBL5207281)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCCNC(=O)\N=C(/N)NCCCc1nnc(N)s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50568740
(CHEMBL4860528) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50412340
(CHEMBL540359)Show SMILES CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1 |r| Show InChI InChI=1S/C33H40N4O6/c1-22(2)43-32(41)25-11-13-26(14-12-25)35-33(42)36-30(19-23-9-15-28(38)16-10-23)31(40)34-27-7-5-17-37(3,21-27)20-24-6-4-8-29(39)18-24/h4,6,8-16,18,22,27,30H,5,7,17,19-21H2,1-3H3,(H4-,34,35,36,38,39,40,41,42)/p+1/t27-,30-,37?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 0.126 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced intracellular ... |
Bioorg Med Chem Lett 18: 5481-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.020
BindingDB Entry DOI: 10.7270/Q23B61CM |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50413476
(CHEMBL539886)Show SMILES C[C@H]1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CN4CC[N+]5(CCCCC5)CC4)c3)ccc2F)CCN1 |r| Show InChI InChI=1S/C36H46FN5O/c1-28-25-41(14-13-38-28)27-30-7-5-9-32(21-30)34-23-29(11-12-35(34)37)24-39-36(43)33-10-6-8-31(22-33)26-40-15-19-42(20-16-40)17-3-2-4-18-42/h5-12,21-23,28,38H,2-4,13-20,24-27H2,1H3/p+1/t28-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 0.126 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili... |
Bioorg Med Chem Lett 19: 1686-90 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50413462
(CHEMBL495358)Show SMILES CC1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CN4CCOCC4)c3)ccc2F)CCN1 Show InChI InChI=1S/C31H37FN4O2/c1-23-20-36(11-10-33-23)22-25-4-2-6-27(16-25)29-18-24(8-9-30(29)32)19-34-31(37)28-7-3-5-26(17-28)21-35-12-14-38-15-13-35/h2-9,16-18,23,33H,10-15,19-22H2,1H3,(H,34,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 0.126 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili... |
Bioorg Med Chem Lett 19: 1686-90 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50083651
((S)-3-Hydroxy-2-(2-tetradecanoylamino-acetylamino)...)Show SMILES CCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)OCc1ccccc1 Show InChI InChI=1S/C26H42N2O5/c1-2-3-4-5-6-7-8-9-10-11-15-18-24(30)27-19-25(31)28-23(20-29)26(32)33-21-22-16-13-12-14-17-22/h12-14,16-17,23,29H,2-11,15,18-21H2,1H3,(H,27,30)(H,28,31)/t23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a |
University of Toledo
Curated by ChEMBL
| Assay Description
Binding of [3H]-QNB to HM2 receptor was evaluated by saturation binding assay |
Bioorg Med Chem Lett 9: 3363-8 (2000)
BindingDB Entry DOI: 10.7270/Q2668CDH |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50381651
(CHEMBL2023753)Show SMILES C[N+]1(CCCC#N)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wD:12.13,TLB:0:1:12.11.29:9.8,THB:2:1:12.11.29:9.8,13:12:1:9.8,(31.05,-10.98,;32.55,-11.38,;33.31,-10.04,;32.53,-8.71,;33.29,-7.37,;34.83,-7.36,;36.36,-7.35,;33.6,-12.21,;33,-13.55,;31.82,-14.26,;32.81,-12.92,;34.65,-12.92,;35.63,-13.73,;36.4,-15.06,;37.94,-15.06,;38.33,-13.56,;38.72,-12.06,;38.71,-16.39,;37.94,-17.72,;38.72,-19.05,;40.26,-19.05,;41.02,-17.7,;40.25,-16.37,;39.42,-14.65,;40.51,-15.73,;41.99,-15.32,;42.38,-13.83,;41.28,-12.75,;39.8,-13.17,;35.36,-12.18,)| Show InChI InChI=1S/C27H32N3/c1-30(17-9-8-16-28)25-14-15-26(30)19-22(18-25)20-27(21-29,23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-7,10-13,22,25-26H,8-9,14-15,17-20H2,1H3/q+1/t22-,25?,26?,30? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 0.158 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist potency at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium mobilization by... |
Bioorg Med Chem Lett 22: 3366-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.015
BindingDB Entry DOI: 10.7270/Q2C82B9Q |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50412729
(CHEMBL492437)Show SMILES C[C@H]1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CN4CCNCC4)c3)ccc2F)CCN1 |r| Show InChI InChI=1S/C31H38FN5O/c1-23-20-37(15-12-34-23)22-25-4-2-6-27(16-25)29-18-24(8-9-30(29)32)19-35-31(38)28-7-3-5-26(17-28)21-36-13-10-33-11-14-36/h2-9,16-18,23,33-34H,10-15,19-22H2,1H3,(H,35,38)/t23-/m0/s1 | PDB
Reactome pathway
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| CHEMBL
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| Article
PubMed
| n/a | n/a | n/a | 0.158 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili... |
Bioorg Med Chem Lett 19: 1686-90 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50381648
(CHEMBL2023750)Show SMILES C[N+]1(CCO)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wD:10.11,TLB:0:1:10.9.27:7.6,THB:2:1:10.9.27:7.6,11:10:1:7.6,(-9.08,-9.39,;-7.59,-9.8,;-6.82,-8.46,;-7.6,-7.13,;-6.84,-5.79,;-6.53,-10.63,;-7.13,-11.97,;-8.31,-12.68,;-7.32,-11.34,;-5.48,-11.34,;-4.5,-12.15,;-3.73,-13.48,;-2.19,-13.48,;-1.8,-11.98,;-1.41,-10.48,;-1.42,-14.81,;-2.19,-16.14,;-1.41,-17.47,;.13,-17.47,;.9,-16.12,;.12,-14.79,;-.71,-13.07,;.38,-14.15,;1.87,-13.74,;2.25,-12.25,;1.15,-11.17,;-.33,-11.59,;-4.77,-10.6,)| Show InChI InChI=1S/C25H31N2O/c1-27(14-15-28)23-12-13-24(27)17-20(16-23)18-25(19-26,21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,20,23-24,28H,12-18H2,1H3/q+1/t20-,23?,24?,27? | PDB
Reactome pathway
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| n/a | n/a | n/a | 0.158 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist potency at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium mobilization by... |
Bioorg Med Chem Lett 22: 3366-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.015
BindingDB Entry DOI: 10.7270/Q2C82B9Q |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50412733
(CHEMBL538864 | CHEMBL555476)Show SMILES C[C@H]1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CN4CC[N+](C)(C)CC4)c3)ccc2F)CCN1 |r| Show InChI InChI=1S/C33H42FN5O/c1-25-22-38(13-12-35-25)24-27-6-4-8-29(18-27)31-20-26(10-11-32(31)34)21-36-33(40)30-9-5-7-28(19-30)23-37-14-16-39(2,3)17-15-37/h4-11,18-20,25,35H,12-17,21-24H2,1-3H3/p+1/t25-/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | n/a | 0.158 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili... |
Bioorg Med Chem Lett 19: 1686-90 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50568740
(CHEMBL4860528) | UniProtKB/SwissProt
antibodypedia
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| PC cid
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| Article
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| n/a | n/a | n/a | 0.170 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50601551
(CHEMBL5207281)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCCNC(=O)\N=C(/N)NCCCc1nnc(N)s1 | UniProtKB/SwissProt
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| n/a | n/a | n/a | 0.170 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50601574
(CHEMBL5201074)Show SMILES Cl.Cl.C[C@@H](NC(=O)\N=C(/N)NCCCc1ncn[nH]1)c1ccccc1 |r| | UniProtKB/SwissProt
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50601567
(CHEMBL5206565)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1 | UniProtKB/SwissProt
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| n/a | n/a | n/a | 0.170 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50413460
(CHEMBL494837)Show SMILES CC1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CN(C)CCCN(C)C)c3)ccc2F)CCN1 Show InChI InChI=1S/C33H44FN5O/c1-25-22-39(17-14-35-25)24-28-9-5-10-29(18-28)31-20-26(12-13-32(31)34)21-36-33(40)30-11-6-8-27(19-30)23-38(4)16-7-15-37(2)3/h5-6,8-13,18-20,25,35H,7,14-17,21-24H2,1-4H3,(H,36,40) | PDB
Reactome pathway
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| n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili... |
Bioorg Med Chem Lett 19: 1686-90 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50450592
(CHEMBL558910)Show SMILES OC(C(=O)O[C@H]1CN2CCC1CC2)(c1ccccc1)c1ccccc1 |r,wD:5.4,(8.38,-12.97,;7.3,-14.07,;8.63,-14.83,;8.64,-16.37,;9.97,-14.06,;11.3,-14.82,;11.3,-16.36,;12.63,-17.13,;13.96,-16.36,;13.96,-14.82,;12.63,-14.05,;13.05,-15.29,;12,-15.64,;5.97,-14.84,;4.63,-14.07,;3.3,-14.84,;3.31,-16.38,;4.65,-17.15,;5.98,-16.37,;7.29,-12.53,;8.62,-11.76,;8.62,-10.22,;7.28,-9.45,;5.95,-10.23,;5.96,-11.77,)| Show InChI InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2/t19-/m0/s1 | PDB
Reactome pathway
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PC cid
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| n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a |
Oak Ridge National Laboratory (ORNL)
Curated by ChEMBL
| Assay Description
In vitro binding affinity towards Muscarinic acetylcholine receptor M2 using [3H]-QNB as radioligand from rat heart tissue |
J Med Chem 38: 3908-17 (1995)
BindingDB Entry DOI: 10.7270/Q24M9567 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50412728
(CHEMBL521523)Show SMILES C[C@H]1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CC4CCNCC4)c3)ccc2F)CCN1 |r| Show InChI InChI=1S/C32H39FN4O/c1-23-21-37(15-14-35-23)22-27-5-3-6-28(18-27)30-19-26(8-9-31(30)33)20-36-32(38)29-7-2-4-25(17-29)16-24-10-12-34-13-11-24/h2-9,17-19,23-24,34-35H,10-16,20-22H2,1H3,(H,36,38)/t23-/m0/s1 | UniProtKB/SwissProt
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| CHEMBL
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PC sid
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| n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili... |
Bioorg Med Chem Lett 19: 1686-90 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50413110
(CHEMBL540148)Show SMILES CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(O)cc3)C2)s1 |r| Show InChI InChI=1S/C31H38N4O6S/c1-20(2)41-30(39)27-14-15-28(42-27)34-31(40)33-26(17-21-6-10-24(36)11-7-21)29(38)32-23-5-4-16-35(3,19-23)18-22-8-12-25(37)13-9-22/h6-15,20,23,26H,4-5,16-19H2,1-3H3,(H4-,32,33,34,36,37,38,39,40)/p+1/t23-,26-,35?/m0/s1 | PDB
UniProtKB/SwissProt
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| n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant muscarinic M2 receptor expressed in CHO cells coexpressing chimeric G protein Gqi5 assessed as inhibition of... |
Bioorg Med Chem Lett 18: 5481-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.020
BindingDB Entry DOI: 10.7270/Q23B61CM |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50265979
(CHEMBL4089543)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[3H]CC([3H])C(=O)NCc1cc(cc(c1)C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1)C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1 Show InChI InChI=1S/C76H91N15O9/c1-2-68(92)81-46-55-43-56(73(97)79-35-33-77-69(93)27-25-58-47-88(51-82-58)37-13-11-15-53-29-39-86(40-30-53)49-71(95)90-64-21-7-3-17-60(64)75(99)84-62-19-5-9-23-66(62)90)45-57(44-55)74(98)80-36-34-78-70(94)28-26-59-48-89(52-83-59)38-14-12-16-54-31-41-87(42-32-54)50-72(96)91-65-22-8-4-18-61(65)76(100)85-63-20-6-10-24-67(63)91/h3-10,17-24,43-45,47-48,51-54H,2,11-16,25-42,46,49-50H2,1H3,(H,77,93)(H,78,94)(H,79,97)(H,80,98)(H,81,92)(H,84,99)(H,85,100) | PDB
UniProtKB/SwissProt
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| n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Ratio of binding affinity to human muscarinic acetylcholine receptor M2 expressed in CHOK9 cells assessed as dissociation rate constant to binding af... |
J Med Chem 60: 3314-3334 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01892
BindingDB Entry DOI: 10.7270/Q29S1THC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50265979
(CHEMBL4089543)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[3H]CC([3H])C(=O)NCc1cc(cc(c1)C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1)C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1 Show InChI InChI=1S/C76H91N15O9/c1-2-68(92)81-46-55-43-56(73(97)79-35-33-77-69(93)27-25-58-47-88(51-82-58)37-13-11-15-53-29-39-86(40-30-53)49-71(95)90-64-21-7-3-17-60(64)75(99)84-62-19-5-9-23-66(62)90)45-57(44-55)74(98)80-36-34-78-70(94)28-26-59-48-89(52-83-59)38-14-12-16-54-31-41-87(42-32-54)50-72(96)91-65-22-8-4-18-61(65)76(100)85-63-20-6-10-24-67(63)91/h3-10,17-24,43-45,47-48,51-54H,2,11-16,25-42,46,49-50H2,1H3,(H,77,93)(H,78,94)(H,79,97)(H,80,98)(H,81,92)(H,84,99)(H,85,100) | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| PC cid
PC sid
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| Article
PubMed
| n/a | n/a | n/a | 0.220 | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Binding affinity to human muscarinic acetylcholine receptor M2 expressed in CHOK9 cell homogenate after 2 hrs by liquid scintillation counting assay |
J Med Chem 60: 3314-3334 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01892
BindingDB Entry DOI: 10.7270/Q29S1THC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50453895
(CHEMBL2111842)Show SMILES O[C@@](C\C=C/I)(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 |wU:9.8,1.18,wD:1.0,(7.75,-5.56,;6.42,-6.35,;6.42,-4.81,;7.75,-4.04,;7.75,-2.5,;6.42,-1.73,;5.07,-7.12,;5.07,-8.66,;3.74,-6.33,;2.41,-7.1,;2.41,-8.64,;1.08,-9.41,;.45,-8.43,;.45,-7.29,;1.08,-6.33,;-.25,-7.1,;-.25,-8.64,;7.75,-7.12,;7.73,-8.66,;9.06,-9.43,;10.41,-8.66,;10.41,-7.12,;9.08,-6.35,)| Show InChI InChI=1S/C18H22INO3/c19-10-4-9-18(22,15-5-2-1-3-6-15)17(21)23-16-13-20-11-7-14(16)8-12-20/h1-6,10,14,16,22H,7-9,11-13H2/b10-4-/t16-,18+/m0/s1 | Reactome pathway
KEGG
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| n/a | n/a | n/a | 0.230 | n/a | n/a | n/a | n/a | n/a |
Oak Ridge National Laboratory (ORNL)
Curated by ChEMBL
| Assay Description
In vitro binding affinity towards Muscarinic acetylcholine receptor M1 using [3H]QNB as radioligand from rat heart tissue |
J Med Chem 38: 3908-17 (1995)
BindingDB Entry DOI: 10.7270/Q24M9567 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50413459
(CHEMBL523044)Show SMILES CC1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CN4CCCN(C)CC4)c3)ccc2F)CCN1 Show InChI InChI=1S/C33H42FN5O/c1-25-22-39(15-12-35-25)24-27-6-3-8-29(18-27)31-20-26(10-11-32(31)34)21-36-33(40)30-9-4-7-28(19-30)23-38-14-5-13-37(2)16-17-38/h3-4,6-11,18-20,25,35H,5,12-17,21-24H2,1-2H3,(H,36,40) | PDB
Reactome pathway
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| n/a | n/a | n/a | 0.251 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili... |
Bioorg Med Chem Lett 19: 1686-90 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5 |
More data for this
Ligand-Target Pair | |
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