Found 51 hits of kd data for polymerid = 49000358,49000377,50000212,50000829,50000830,5682 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 GoogleScholar 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 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
DrugBank 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 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 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 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
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)) | 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 | 0.0520 | 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 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)) | 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 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 KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| 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)) | 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
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 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)) | 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 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)) | 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)) | 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)) | 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 AffyNet
| 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 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)) | 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)) | 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)) | 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)) | 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 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)) | 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 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 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)) | 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 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 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)) | 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)) | 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 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 M5
(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 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 0.200 | 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 KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 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 M5
(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 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 0.200 | 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 M5
(Homo sapiens (Human)) | BDBM50568740
(CHEMBL4860528) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 0.200 | 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 M5
(Homo sapiens (Human)) | BDBM50601574
(CHEMBL5201074)Show SMILES Cl.Cl.C[C@@H](NC(=O)\N=C(/N)NCCCc1ncn[nH]1)c1ccccc1 |r| | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 0.200 | 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)) | 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 KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 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 | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50381650
(CHEMBL2023752)Show SMILES COCC[N+]1(C)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wD:11.12,TLB:5:4:11.10.28:8.7,THB:3:4:11.10.28:8.7,12:11:4:8.7,(18.45,-5.24,;19.23,-6.57,;18.46,-7.91,;19.24,-9.24,;18.48,-10.58,;16.99,-10.17,;19.54,-11.41,;18.94,-12.75,;17.76,-13.46,;18.74,-12.12,;20.58,-12.12,;21.56,-12.93,;22.34,-14.26,;23.88,-14.25,;24.27,-12.76,;24.66,-11.26,;24.65,-15.59,;23.88,-16.92,;24.65,-18.25,;26.19,-18.24,;26.96,-16.9,;26.18,-15.57,;25.36,-13.85,;26.45,-14.93,;27.93,-14.52,;28.32,-13.03,;27.21,-11.95,;25.74,-12.37,;21.3,-11.38,)| Show InChI InChI=1S/C26H33N2O/c1-28(15-16-29-2)24-13-14-25(28)18-21(17-24)19-26(20-27,22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,21,24-25H,13-19H2,1-2H3/q+1/t21-,24?,25?,28? | 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 | 0.501 | 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)) | BDBM50413463
(CHEMBL522495)Show SMILES CC1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CN4CCCCC4)c3)ccc2F)CCN1 Show InChI InChI=1S/C32H39FN4O/c1-24-21-37(16-13-34-24)23-26-7-5-9-28(17-26)30-19-25(11-12-31(30)33)20-35-32(38)29-10-6-8-27(18-29)22-36-14-3-2-4-15-36/h5-12,17-19,24,34H,2-4,13-16,20-23H2,1H3,(H,35,38) | 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 | 0.631 | 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)) | BDBM50413113
(CHEMBL555706)Show SMILES CC(C)NC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(O)cc3)C2)cc1 |r| Show InChI InChI=1S/C33H41N5O5/c1-22(2)34-31(41)25-10-12-26(13-11-25)36-33(43)37-30(19-23-6-14-28(39)15-7-23)32(42)35-27-5-4-18-38(3,21-27)20-24-8-16-29(40)17-9-24/h6-17,22,27,30H,4-5,18-21H2,1-3H3,(H5-,34,35,36,37,39,40,41,42,43)/p+1/t27-,30-,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 | 0.631 | 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)) | BDBM50413107
(CHEMBL550885)Show SMILES CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](CC3CC3)(CC3CC3)C2)cc1 |r| Show InChI InChI=1S/C33H44N4O5/c1-22(2)42-32(40)26-11-13-27(14-12-26)35-33(41)36-30(18-23-9-15-29(38)16-10-23)31(39)34-28-4-3-17-37(21-28,19-24-5-6-24)20-25-7-8-25/h9-16,22,24-25,28,30H,3-8,17-21H2,1-2H3,(H3-,34,35,36,38,39,40,41)/p+1/t28-,30-/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 | 0.631 | 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)) | BDBM50381641
(CHEMBL2023758)Show SMILES COCCOCC[N+]1(C)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wD:14.15,TLB:8:7:14.13.31:11.10,THB:6:7:14.13.31:11.10,15:14:7:11.10,(-7.22,-32.85,;-7.99,-34.19,;-7.21,-35.52,;-7.97,-36.86,;-7.19,-38.19,;-7.95,-39.53,;-7.17,-40.86,;-7.93,-42.2,;-9.43,-41.79,;-6.88,-43.03,;-7.48,-44.37,;-8.66,-45.08,;-7.67,-43.73,;-5.83,-43.73,;-4.85,-44.54,;-4.08,-45.87,;-2.54,-45.87,;-2.15,-44.37,;-1.75,-42.87,;-1.77,-47.2,;-2.53,-48.53,;-1.76,-49.86,;-.22,-49.86,;.55,-48.51,;-.23,-47.19,;-1.06,-45.46,;.03,-46.54,;1.51,-46.14,;1.9,-44.65,;.8,-43.57,;-.68,-43.98,;-5.12,-43,)| Show InChI InChI=1S/C28H37N2O2/c1-30(15-16-32-18-17-31-2)26-13-14-27(30)20-23(19-26)21-28(22-29,24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-12,23,26-27H,13-21H2,1-2H3/q+1/t23-,26?,27?,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 | 0.631 | 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)) | 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
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 0.670 | 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 M4 expressed in CHOK9 cells 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 M3
(Homo sapiens (Human)) | BDBM50381649
(CHEMBL2023751)Show SMILES C[N+]1(CC=C)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,(4.71,-10.44,;6.21,-10.84,;6.97,-9.5,;6.19,-8.18,;6.95,-6.84,;7.26,-11.68,;6.66,-13.02,;5.48,-13.73,;6.47,-12.38,;8.31,-12.38,;9.29,-13.19,;10.06,-14.52,;11.6,-14.52,;11.99,-13.02,;12.39,-11.52,;12.37,-15.85,;11.61,-17.18,;12.38,-18.51,;13.92,-18.51,;14.69,-17.16,;13.91,-15.84,;13.08,-14.11,;14.17,-15.19,;15.65,-14.78,;16.04,-13.3,;14.94,-12.22,;13.46,-12.63,;9.02,-11.64,)| Show InChI InChI=1S/C26H31N2/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/h3-13,21,24-25H,1,14-19H2,2H3/q+1/t21-,24?,25?,28? | 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 | 1.26 | 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)) | BDBM50413111
(CHEMBL540401)Show SMILES Cc1nc(no1)-c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(O)cc3)C2)cc1 |r| Show InChI InChI=1S/C32H36N6O5/c1-21-33-30(37-43-21)24-9-11-25(12-10-24)35-32(42)36-29(18-22-5-13-27(39)14-6-22)31(41)34-26-4-3-17-38(2,20-26)19-23-7-15-28(40)16-8-23/h5-16,26,29H,3-4,17-20H2,1-2H3,(H4-,34,35,36,37,39,40,41,42)/p+1/t26-,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 | 2 | 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)) | BDBM50413112
(CHEMBL540146)Show SMILES Cc1noc(n1)-c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(O)cc3)C2)cc1 |r| Show InChI InChI=1S/C32H36N6O5/c1-21-33-31(43-37-21)24-9-11-25(12-10-24)35-32(42)36-29(18-22-5-13-27(39)14-6-22)30(41)34-26-4-3-17-38(2,20-26)19-23-7-15-28(40)16-8-23/h5-16,26,29H,3-4,17-20H2,1-2H3,(H4-,33,34,35,36,37,39,40,41,42)/p+1/t26-,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 | 2 | 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)) | BDBM50413465
(CHEMBL558605)Show SMILES C[C@H]1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(C[N+]4(C)CCNCC4)c3)ccc2F)CCN1 |r| Show InChI InChI=1S/C32H40FN5O/c1-24-21-37(14-11-35-24)22-26-5-3-7-28(17-26)30-19-25(9-10-31(30)33)20-36-32(39)29-8-4-6-27(18-29)23-38(2)15-12-34-13-16-38/h3-10,17-19,24,34-35H,11-16,20-23H2,1-2H3/p+1/t24-/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 | 3.16 | 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)) | BDBM50413106
(CHEMBL538360)Show SMILES CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+]3(C2)CCCCCC3)cc1 |r| Show InChI InChI=1S/C31H42N4O5/c1-22(2)40-30(38)24-11-13-25(14-12-24)33-31(39)34-28(20-23-9-15-27(36)16-10-23)29(37)32-26-8-7-19-35(21-26)17-5-3-4-6-18-35/h9-16,22,26,28H,3-8,17-21H2,1-2H3,(H3-,32,33,34,36,37,38,39)/p+1/t26-,28-/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 | 3.16 | 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)) | BDBM50413464
(CHEMBL494022)Show SMILES CC1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CN(C)C)c3)ccc2F)CCN1 Show InChI InChI=1S/C29H35FN4O/c1-21-18-34(13-12-31-21)20-24-7-4-8-25(14-24)27-16-22(10-11-28(27)30)17-32-29(35)26-9-5-6-23(15-26)19-33(2)3/h4-11,14-16,21,31H,12-13,17-20H2,1-3H3,(H,32,35) | 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 | 3.16 | 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 M4
(Homo sapiens (Human)) | BDBM50538312
(CHEMBL4641726)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)CC2)c2ccc(cc12)S(O)(=O)=O |c:21| Show InChI InChI=1S/C65H84N8O9S2/c1-64(2)52-23-11-14-26-56(52)71(38-19-20-46-83(77,78)79)59(64)28-7-5-8-29-60-65(3,4)53-47-50(84(80,81)82)31-32-57(53)72(60)37-17-6-9-30-61(74)66-35-41-69-44-42-68(43-45-69)36-18-16-21-49-33-39-70(40-34-49)48-62(75)73-55-25-13-10-22-51(55)63(76)67-54-24-12-15-27-58(54)73/h5,7-8,10-15,22-29,31-32,47,49H,6,9,16-21,30,33-46,48H2,1-4H3,(H3-,66,67,74,76,77,78,79,80,81,82) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description Binding affinity to human muscarinic M4 receptor expressed in CHO-K9 cells incubated in dark at 22 degree C for 2 hrs by FACSCalibur flow cytometric ... |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172 BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50552915
(CHEMBL4798111)Show SMILES C[C@H](CN1CCC[C@@H]1C)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [3H]4-DAMP from human recombinant M3 receptor incubated for 1 hr by radiometric scintillation counting analysis |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00532 BindingDB Entry DOI: 10.7270/Q2474FHW |
More data for this Ligand-Target Pair | |