Found 156 hits with Last Name = 'riccardi' and Initial = 'b' 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 |
|---|
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50595424
(CHEMBL5172865)Show SMILES Cn1nc(cc1COc1cccc(c1)[C@@H](NC(=O)O[C@H]1CN2CCC1CC2)c1ccccc1)C(=O)OCCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:42.47,wD:14.16,19.20,(.73,4.28,;.18,2.84,;-1.31,2.44,;-1.39,.91,;.04,.35,;1.01,1.55,;2.55,1.47,;3.25,.1,;4.79,.01,;5.49,-1.36,;7.02,-1.44,;7.86,-.15,;7.16,1.22,;5.63,1.3,;8,2.51,;9.54,2.43,;10.24,1.06,;9.4,-.23,;11.78,.98,;12.48,-.4,;11.64,-1.69,;12.33,-3.06,;12.41,-1.64,;13.94,-1.9,;14.01,-.48,;14.71,-1.85,;13.87,-3.14,;7.31,3.89,;5.77,3.97,;5.07,5.34,;5.91,6.63,;7.45,6.55,;8.15,5.18,;-2.69,.07,;-2.61,-1.47,;-4.06,.77,;-5.35,-.07,;-6.72,.63,;-8.01,-.2,;-9.38,.5,;-10.68,-.34,;-12.05,.36,;-13.34,-.48,;-14.71,.22,;-13.26,-2.02,;-14.55,-2.86,;-14.47,-4.39,;-13.1,-5.09,;-13.02,-6.63,;-11.81,-4.26,;-10.44,-4.96,;-9.15,-4.12,;-7.77,-4.82,;-9.23,-2.58,;-10.6,-1.88,;-11.89,-2.72,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 0.00398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| |
J Med Chem 48: 4500-3 (2005)
Article DOI: 10.1021/acs.jmedchem.2c00609
BindingDB Entry DOI: 10.7270/Q2TH8RQS |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50569290
(CHEMBL4871517)Show SMILES O[C@@H](CNCCCNC(=O)c1ccc(COc2cccc(c2)-c2ccc(cc2)[C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:33.34,1.0,wD:28.30,(31.17,-6.07,;32.5,-6.84,;33.84,-6.06,;35.17,-6.83,;36.5,-6.05,;37.84,-6.82,;39.17,-6.05,;40.51,-6.81,;41.84,-6.04,;41.83,-4.5,;43.17,-6.8,;43.18,-8.34,;44.51,-9.11,;45.84,-8.33,;47.18,-9.1,;48.51,-8.32,;49.85,-9.08,;49.85,-10.62,;51.19,-11.38,;52.52,-10.61,;52.51,-9.06,;51.17,-8.3,;53.84,-8.28,;55.17,-9.04,;56.51,-8.27,;56.5,-6.72,;55.16,-5.96,;53.84,-6.74,;57.83,-5.94,;59.17,-6.7,;60.5,-5.92,;60.49,-4.38,;61.84,-6.69,;63.17,-5.91,;63.15,-4.38,;64.49,-3.61,;65.83,-4.37,;65.83,-5.91,;64.5,-6.68,;65.2,-5.33,;63.71,-4.93,;57.82,-4.4,;59.15,-3.63,;59.15,-2.09,;57.81,-1.33,;56.47,-2.11,;56.49,-3.65,;45.83,-6.78,;44.5,-6.02,;32.51,-8.38,;31.18,-9.15,;31.18,-10.69,;32.51,-11.46,;32.51,-13,;33.84,-10.69,;35.17,-11.46,;36.51,-10.69,;37.85,-11.46,;36.52,-9.14,;35.18,-8.36,;33.84,-9.14,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of 125I-cyanopindolol from human adrenergic beta2 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127975
BindingDB Entry DOI: 10.7270/Q2F193HC |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50569294
(CHEMBL4863525)Show SMILES O[C@@H](CNCCCCCCOc1cccc(c1)C(NC(=O)O[C@H]1CN2CCC1CC2)c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:22.22,1.0,(-.19,-37.45,;1.15,-38.22,;2.48,-37.45,;3.82,-38.21,;5.15,-37.44,;6.49,-38.2,;7.82,-37.43,;9.15,-38.2,;10.48,-37.42,;11.82,-38.19,;13.15,-37.41,;14.49,-38.19,;14.48,-39.72,;15.82,-40.49,;17.15,-39.72,;17.14,-38.17,;15.8,-37.41,;18.47,-37.38,;19.81,-38.15,;21.14,-37.37,;21.13,-35.83,;22.48,-38.13,;23.81,-37.35,;23.79,-35.82,;25.13,-35.05,;26.47,-35.82,;26.47,-37.36,;25.14,-38.13,;25.84,-36.77,;24.35,-36.38,;18.46,-35.85,;19.79,-35.08,;19.79,-33.54,;18.45,-32.77,;17.12,-33.56,;17.13,-35.09,;1.16,-39.76,;-.18,-40.53,;-.18,-42.07,;1.16,-42.85,;1.16,-44.39,;2.49,-42.07,;3.82,-42.84,;5.16,-42.07,;6.49,-42.85,;5.16,-40.53,;3.82,-39.75,;2.49,-40.52,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of 125I-cyanopindolol from human adrenergic beta2 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127975
BindingDB Entry DOI: 10.7270/Q2F193HC |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50595404
(CHEMBL5184455)Show SMILES O[C@@H](CNCCCCOC(=O)c1ccc(COc2cccc(c2)[C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:1.0,wD:23.24,28.28,(-14.67,-1.16,;-13.33,-1.93,;-12,-1.16,;-10.67,-1.93,;-9.33,-1.16,;-8,-1.93,;-6.66,-1.16,;-5.33,-1.93,;-4,-1.16,;-2.66,-1.93,;-2.66,-3.47,;-1.33,-1.16,;.01,-1.93,;1.34,-1.16,;1.34,.38,;2.67,1.15,;4.01,.38,;5.34,1.15,;6.67,.39,;8,1.16,;8,2.69,;6.67,3.46,;5.34,2.69,;6.67,5,;8.01,5.77,;9.34,5,;9.34,3.46,;10.67,5.77,;12.01,5,;12.01,3.46,;13.34,2.69,;12.63,3.93,;14.05,4.54,;13.34,5.77,;14.67,5,;14.67,3.46,;5.34,5.77,;5.34,7.31,;4,8.08,;2.67,7.31,;2.67,5.77,;4,5,;-0,1.15,;-1.33,.38,;-13.33,-3.47,;-14.67,-4.24,;-14.67,-5.78,;-13.34,-6.54,;-13.34,-8.08,;-12,-5.77,;-10.67,-6.55,;-9.34,-5.77,;-8.01,-6.54,;-9.34,-4.24,;-10.67,-3.47,;-12,-4.24,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| |
J Med Chem 48: 4500-3 (2005)
Article DOI: 10.1021/acs.jmedchem.2c00609
BindingDB Entry DOI: 10.7270/Q2TH8RQS |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50595423
(CHEMBL5190387)Show SMILES O[C@@H](CNCCCCOC(=O)c1ccc(COc2cccc(c2)[C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)o1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:1.0,wD:23.24,28.28,(-14.71,.22,;-13.34,-.48,;-12.05,.36,;-10.68,-.34,;-9.38,.5,;-8.01,-.2,;-6.72,.63,;-5.35,-.07,;-4.06,.77,;-2.69,.07,;-2.61,-1.47,;-1.39,.91,;-1.31,2.44,;.18,2.84,;1.01,1.55,;2.55,1.47,;3.25,.1,;4.79,.01,;5.49,-1.36,;7.02,-1.44,;7.86,-.15,;7.16,1.22,;5.63,1.3,;8,2.51,;9.54,2.43,;10.24,1.06,;9.4,-.23,;11.78,.98,;12.48,-.4,;11.64,-1.69,;12.33,-3.06,;12.41,-1.64,;13.94,-1.9,;14.01,-.48,;14.71,-1.85,;13.87,-3.14,;7.31,3.89,;5.77,3.97,;5.07,5.34,;5.91,6.63,;7.45,6.55,;8.15,5.18,;.04,.35,;-13.26,-2.02,;-14.55,-2.86,;-14.47,-4.39,;-13.1,-5.09,;-13.02,-6.63,;-11.81,-4.26,;-10.44,-4.96,;-9.15,-4.12,;-7.77,-4.82,;-9.23,-2.58,;-10.6,-1.88,;-11.89,-2.72,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| |
J Med Chem 48: 4500-3 (2005)
Article DOI: 10.1021/acs.jmedchem.2c00609
BindingDB Entry DOI: 10.7270/Q2TH8RQS |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50595426
(CHEMBL5193853)Show SMILES O[C@@H](CNCCCCOC(=O)c1cccc(COc2cccc(c2)[C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)c1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:1.0,wD:24.25,29.29,(-13.81,.82,;-12.39,.23,;-11.16,1.16,;-9.74,.56,;-8.52,1.49,;-7.1,.89,;-5.87,1.82,;-4.45,1.23,;-3.22,2.16,;-1.8,1.56,;-1.61,.03,;-.58,2.49,;-.77,4.02,;.46,4.95,;1.88,4.35,;2.07,2.82,;3.49,2.22,;3.68,.7,;5.1,.1,;5.29,-1.43,;6.71,-2.03,;7.94,-1.1,;7.75,.43,;6.33,1.03,;8.98,1.36,;10.4,.76,;10.59,-.76,;9.36,-1.69,;12.01,-1.36,;12.2,-2.89,;10.97,-3.82,;11.16,-5.35,;11.72,-4.04,;13.07,-4.8,;13.62,-3.49,;13.81,-5.02,;12.58,-5.95,;8.78,2.89,;7.36,3.49,;7.17,5.02,;8.4,5.95,;9.82,5.35,;10.01,3.82,;.84,1.89,;-12.39,-1.31,;-13.73,-2.09,;-13.72,-3.63,;-12.39,-4.39,;-12.39,-5.93,;-11.06,-3.62,;-9.72,-4.39,;-8.4,-3.62,;-7.06,-4.39,;-8.4,-2.09,;-9.73,-1.32,;-11.06,-2.08,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| |
J Med Chem 48: 4500-3 (2005)
Article DOI: 10.1021/acs.jmedchem.2c00609
BindingDB Entry DOI: 10.7270/Q2TH8RQS |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50595427
(CHEMBL5200887)Show SMILES COc1cc(ccc1COc1cccc(c1)[C@@H](NC(=O)O[C@H]1CN2CCC1CC2)c1ccccc1)C(=O)OCCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:44.49,wD:16.18,21.22,(3.34,-1.15,;3.34,.39,;2,1.16,;.67,.39,;-.67,1.15,;-.67,2.69,;.67,3.47,;2,2.7,;3.33,3.47,;4.67,2.7,;6,3.47,;6,5.01,;7.33,5.78,;8.67,5.02,;8.67,3.48,;7.33,2.7,;10,2.71,;10,1.17,;8.67,.4,;7.34,1.16,;8.67,-1.14,;7.34,-1.92,;6.01,-1.15,;4.67,-1.92,;6.1,-1.92,;5.92,-3.46,;7.34,-3.46,;6.01,-4.23,;4.68,-3.46,;11.33,3.48,;11.33,5.02,;12.67,5.79,;14,5.02,;14,3.48,;12.67,2.71,;-2,.38,;-2,-1.16,;-3.33,1.15,;-4.67,.38,;-6,1.15,;-7.33,.38,;-8.67,1.14,;-10,.37,;-11.33,1.14,;-12.67,.37,;-14,1.14,;-12.67,-1.17,;-14,-1.94,;-14,-3.48,;-12.66,-4.25,;-12.66,-5.79,;-11.33,-3.48,;-9.99,-4.25,;-8.66,-3.48,;-7.33,-4.24,;-8.66,-1.94,;-10,-1.17,;-11.33,-1.94,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| |
J Med Chem 48: 4500-3 (2005)
Article DOI: 10.1021/acs.jmedchem.2c00609
BindingDB Entry DOI: 10.7270/Q2TH8RQS |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50569293
(CHEMBL4874819)Show SMILES O[C@@H](CNCCCCCOc1cccc(c1)C(NC(=O)O[C@H]1CN2CCC1CC2)c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:1.0,wD:21.21,(24.25,-39.74,;25.59,-40.51,;26.92,-39.73,;28.26,-40.5,;29.59,-39.72,;30.92,-40.49,;32.25,-39.72,;33.59,-40.48,;34.92,-39.71,;36.26,-40.47,;37.6,-39.7,;37.59,-38.17,;38.91,-37.39,;40.26,-38.15,;40.26,-39.7,;38.93,-40.47,;41.6,-40.46,;42.93,-39.69,;44.26,-40.45,;44.27,-42,;45.59,-39.67,;46.93,-40.44,;46.92,-41.99,;48.25,-42.75,;49.59,-41.98,;49.59,-40.44,;48.25,-39.67,;49.01,-41,;47.47,-41.41,;41.6,-42,;40.26,-42.77,;40.27,-44.31,;41.6,-45.07,;42.94,-44.29,;42.93,-42.76,;25.59,-42.05,;24.26,-42.82,;24.26,-44.36,;25.6,-45.13,;25.6,-46.67,;26.93,-44.36,;28.26,-45.13,;29.6,-44.36,;30.93,-45.13,;29.6,-42.81,;28.26,-42.03,;26.93,-42.81,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of 125I-cyanopindolol from human adrenergic beta2 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127975
BindingDB Entry DOI: 10.7270/Q2F193HC |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50569292
(CHEMBL4857743)Show SMILES O[C@@H](CNCCCCCCOc1cccc(c1)[C@H](NC(=O)O[C@H]1CN2CCC1CC2)c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:17.18,22.22,1.0,(52.87,-39.55,;54.2,-40.32,;55.53,-39.55,;56.87,-40.31,;58.2,-39.54,;59.54,-40.3,;60.87,-39.53,;62.21,-40.3,;63.54,-39.52,;64.87,-40.29,;66.2,-39.51,;67.54,-40.29,;67.53,-41.82,;68.87,-42.59,;70.2,-41.82,;70.19,-40.27,;68.86,-39.51,;71.53,-39.48,;72.86,-40.25,;74.19,-39.47,;74.19,-37.93,;75.53,-40.23,;76.86,-39.45,;76.85,-37.93,;78.19,-37.15,;79.52,-37.92,;79.52,-39.46,;78.2,-40.23,;78.89,-38.87,;77.41,-38.48,;71.52,-37.95,;72.85,-37.18,;72.84,-35.64,;71.5,-34.87,;70.17,-35.66,;70.18,-37.19,;54.21,-41.86,;52.88,-42.63,;52.88,-44.17,;54.21,-44.95,;54.21,-46.49,;55.54,-44.17,;56.87,-44.94,;58.21,-44.17,;59.55,-44.95,;58.22,-42.63,;56.88,-41.85,;55.54,-42.62,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of 125I-cyanopindolol from human adrenergic beta2 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127975
BindingDB Entry DOI: 10.7270/Q2F193HC |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50595403
(CHEMBL5208201)Show SMILES O[C@@H](CNCCCCOC(=O)c1ccc(COc2cccc(c2)C(NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:1.0,wD:28.28,(-14.67,-1.16,;-13.33,-1.93,;-12,-1.16,;-10.66,-1.93,;-9.33,-1.16,;-8,-1.93,;-6.66,-1.16,;-5.33,-1.93,;-3.99,-1.16,;-2.66,-1.93,;-2.66,-3.47,;-1.33,-1.16,;.01,-1.93,;1.34,-1.16,;1.34,.38,;2.67,1.15,;4.01,.38,;5.34,1.15,;6.67,.39,;8,1.16,;8,2.69,;6.67,3.46,;5.34,2.69,;6.67,5,;8,5.77,;9.34,5,;9.34,3.46,;10.67,5.77,;12.01,5,;12.01,3.46,;13.34,2.69,;14.67,3.46,;14.67,5,;13.34,5.77,;14.05,4.54,;12.63,3.93,;5.34,5.77,;5.34,7.31,;4,8.08,;2.67,7.31,;2.67,5.77,;4,5,;-0,1.15,;-1.33,.38,;-13.33,-3.47,;-14.67,-4.24,;-14.67,-5.78,;-13.33,-6.54,;-13.33,-8.08,;-12,-5.77,;-10.67,-6.54,;-9.34,-5.77,;-8.01,-6.54,;-9.34,-4.24,;-10.67,-3.47,;-12,-4.24,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| |
J Med Chem 48: 4500-3 (2005)
Article DOI: 10.1021/acs.jmedchem.2c00609
BindingDB Entry DOI: 10.7270/Q2TH8RQS |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50595425
(CHEMBL5208957)Show SMILES O[C@@H](CNCCCCOC(=O)c1coc(COc2cccc(c2)[C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)n1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:1.0,wD:23.24,28.28,(-14.71,.22,;-13.34,-.48,;-12.05,.36,;-10.68,-.34,;-9.38,.5,;-8.01,-.2,;-6.72,.63,;-5.35,-.07,;-4.06,.77,;-2.69,.07,;-2.61,-1.47,;-1.39,.91,;-1.31,2.44,;.18,2.84,;1.01,1.55,;2.55,1.47,;3.25,.1,;4.79,.01,;5.49,-1.36,;7.02,-1.44,;7.86,-.15,;7.16,1.22,;5.63,1.3,;8,2.51,;9.54,2.43,;10.24,1.06,;9.4,-.23,;11.78,.98,;12.48,-.4,;11.64,-1.69,;12.33,-3.06,;12.41,-1.64,;13.94,-1.9,;14.01,-.48,;14.71,-1.85,;13.87,-3.14,;7.31,3.89,;5.77,3.97,;5.07,5.34,;5.91,6.63,;7.45,6.55,;8.15,5.18,;.04,.35,;-13.26,-2.02,;-14.55,-2.86,;-14.47,-4.39,;-13.1,-5.09,;-13.02,-6.63,;-11.81,-4.26,;-10.44,-4.96,;-9.15,-4.12,;-7.77,-4.82,;-9.23,-2.58,;-10.6,-1.88,;-11.89,-2.72,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| |
J Med Chem 48: 4500-3 (2005)
Article DOI: 10.1021/acs.jmedchem.2c00609
BindingDB Entry DOI: 10.7270/Q2TH8RQS |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50595405
(CHEMBL5184598)Show SMILES O[C@@H](CNCCCCOC(=O)c1ccc(COc2cccc(c2)[C@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:1.0,23.24,wD:28.28,(-14.67,-1.16,;-13.33,-1.93,;-12,-1.16,;-10.67,-1.93,;-9.33,-1.16,;-8,-1.93,;-6.66,-1.16,;-5.33,-1.93,;-4,-1.16,;-2.66,-1.93,;-2.66,-3.47,;-1.33,-1.16,;.01,-1.93,;1.34,-1.16,;1.34,.38,;2.67,1.15,;4.01,.38,;5.34,1.15,;6.67,.39,;8,1.16,;8,2.69,;6.67,3.46,;5.34,2.69,;6.67,5,;8,5.77,;9.34,5,;9.34,3.46,;10.67,5.77,;12.01,5,;12.01,3.46,;13.34,2.69,;12.63,3.93,;14.05,4.54,;13.34,5.77,;14.67,5,;14.67,3.46,;5.34,5.77,;5.34,7.31,;4,8.08,;2.67,7.31,;2.67,5.77,;4,5,;-0,1.15,;-1.33,.38,;-13.33,-3.47,;-14.67,-4.24,;-14.67,-5.78,;-13.34,-6.54,;-13.34,-8.08,;-12,-5.77,;-10.67,-6.54,;-9.34,-5.77,;-8.01,-6.54,;-9.34,-4.24,;-10.67,-3.47,;-12,-4.24,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| |
J Med Chem 48: 4500-3 (2005)
Article DOI: 10.1021/acs.jmedchem.2c00609
BindingDB Entry DOI: 10.7270/Q2TH8RQS |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50569299
(CHEMBL4866806)Show SMILES CCN(CCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)C(=O)c1ccc(COc2cccc(c2)-c2ccc(cc2)[C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1 |r,wU:47.50,8.8,wD:42.46,(11.54,-25.97,;12.87,-25.19,;12.87,-23.65,;11.53,-22.89,;10.2,-23.66,;8.87,-22.89,;7.54,-23.67,;6.2,-22.9,;4.87,-23.68,;3.53,-22.91,;4.87,-25.22,;3.54,-25.99,;3.54,-27.53,;4.88,-28.3,;4.88,-29.84,;6.21,-27.53,;7.54,-28.3,;8.88,-27.53,;10.21,-28.3,;8.88,-25.98,;7.54,-25.2,;6.21,-25.98,;14.2,-22.88,;14.2,-21.34,;15.54,-23.64,;15.54,-25.18,;16.87,-25.94,;18.21,-25.17,;19.54,-25.94,;20.87,-25.16,;22.21,-25.92,;22.22,-27.46,;23.55,-28.22,;24.88,-27.45,;24.87,-25.9,;23.53,-25.14,;26.2,-25.12,;27.54,-25.88,;28.87,-25.11,;28.86,-23.56,;27.53,-22.8,;26.21,-23.58,;30.19,-22.78,;31.53,-23.54,;32.86,-22.76,;32.85,-21.22,;34.2,-23.52,;35.53,-22.75,;35.52,-21.22,;36.85,-20.44,;38.19,-21.21,;38.19,-22.75,;36.87,-23.52,;37.56,-22.17,;36.07,-21.77,;30.19,-21.24,;31.52,-20.47,;31.51,-18.93,;30.17,-18.17,;28.84,-18.95,;28.85,-20.49,;18.2,-23.62,;16.86,-22.86,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of 125I-cyanopindolol from human adrenergic beta2 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127975
BindingDB Entry DOI: 10.7270/Q2F193HC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50595423
(CHEMBL5190387)Show SMILES O[C@@H](CNCCCCOC(=O)c1ccc(COc2cccc(c2)[C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)o1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:1.0,wD:23.24,28.28,(-14.71,.22,;-13.34,-.48,;-12.05,.36,;-10.68,-.34,;-9.38,.5,;-8.01,-.2,;-6.72,.63,;-5.35,-.07,;-4.06,.77,;-2.69,.07,;-2.61,-1.47,;-1.39,.91,;-1.31,2.44,;.18,2.84,;1.01,1.55,;2.55,1.47,;3.25,.1,;4.79,.01,;5.49,-1.36,;7.02,-1.44,;7.86,-.15,;7.16,1.22,;5.63,1.3,;8,2.51,;9.54,2.43,;10.24,1.06,;9.4,-.23,;11.78,.98,;12.48,-.4,;11.64,-1.69,;12.33,-3.06,;12.41,-1.64,;13.94,-1.9,;14.01,-.48,;14.71,-1.85,;13.87,-3.14,;7.31,3.89,;5.77,3.97,;5.07,5.34,;5.91,6.63,;7.45,6.55,;8.15,5.18,;.04,.35,;-13.26,-2.02,;-14.55,-2.86,;-14.47,-4.39,;-13.1,-5.09,;-13.02,-6.63,;-11.81,-4.26,;-10.44,-4.96,;-9.15,-4.12,;-7.77,-4.82,;-9.23,-2.58,;-10.6,-1.88,;-11.89,-2.72,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| |
J Med Chem 48: 4500-3 (2005)
Article DOI: 10.1021/acs.jmedchem.2c00609
BindingDB Entry DOI: 10.7270/Q2TH8RQS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50595424
(CHEMBL5172865)Show SMILES Cn1nc(cc1COc1cccc(c1)[C@@H](NC(=O)O[C@H]1CN2CCC1CC2)c1ccccc1)C(=O)OCCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:42.47,wD:14.16,19.20,(.73,4.28,;.18,2.84,;-1.31,2.44,;-1.39,.91,;.04,.35,;1.01,1.55,;2.55,1.47,;3.25,.1,;4.79,.01,;5.49,-1.36,;7.02,-1.44,;7.86,-.15,;7.16,1.22,;5.63,1.3,;8,2.51,;9.54,2.43,;10.24,1.06,;9.4,-.23,;11.78,.98,;12.48,-.4,;11.64,-1.69,;12.33,-3.06,;12.41,-1.64,;13.94,-1.9,;14.01,-.48,;14.71,-1.85,;13.87,-3.14,;7.31,3.89,;5.77,3.97,;5.07,5.34,;5.91,6.63,;7.45,6.55,;8.15,5.18,;-2.69,.07,;-2.61,-1.47,;-4.06,.77,;-5.35,-.07,;-6.72,.63,;-8.01,-.2,;-9.38,.5,;-10.68,-.34,;-12.05,.36,;-13.34,-.48,;-14.71,.22,;-13.26,-2.02,;-14.55,-2.86,;-14.47,-4.39,;-13.1,-5.09,;-13.02,-6.63,;-11.81,-4.26,;-10.44,-4.96,;-9.15,-4.12,;-7.77,-4.82,;-9.23,-2.58,;-10.6,-1.88,;-11.89,-2.72,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 0.0631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| |
J Med Chem 48: 4500-3 (2005)
Article DOI: 10.1021/acs.jmedchem.2c00609
BindingDB Entry DOI: 10.7270/Q2TH8RQS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50595426
(CHEMBL5193853)Show SMILES O[C@@H](CNCCCCOC(=O)c1cccc(COc2cccc(c2)[C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)c1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:1.0,wD:24.25,29.29,(-13.81,.82,;-12.39,.23,;-11.16,1.16,;-9.74,.56,;-8.52,1.49,;-7.1,.89,;-5.87,1.82,;-4.45,1.23,;-3.22,2.16,;-1.8,1.56,;-1.61,.03,;-.58,2.49,;-.77,4.02,;.46,4.95,;1.88,4.35,;2.07,2.82,;3.49,2.22,;3.68,.7,;5.1,.1,;5.29,-1.43,;6.71,-2.03,;7.94,-1.1,;7.75,.43,;6.33,1.03,;8.98,1.36,;10.4,.76,;10.59,-.76,;9.36,-1.69,;12.01,-1.36,;12.2,-2.89,;10.97,-3.82,;11.16,-5.35,;11.72,-4.04,;13.07,-4.8,;13.62,-3.49,;13.81,-5.02,;12.58,-5.95,;8.78,2.89,;7.36,3.49,;7.17,5.02,;8.4,5.95,;9.82,5.35,;10.01,3.82,;.84,1.89,;-12.39,-1.31,;-13.73,-2.09,;-13.72,-3.63,;-12.39,-4.39,;-12.39,-5.93,;-11.06,-3.62,;-9.72,-4.39,;-8.4,-3.62,;-7.06,-4.39,;-8.4,-2.09,;-9.73,-1.32,;-11.06,-2.08,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| |
J Med Chem 48: 4500-3 (2005)
Article DOI: 10.1021/acs.jmedchem.2c00609
BindingDB Entry DOI: 10.7270/Q2TH8RQS |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50569295
(CHEMBL4854418)Show SMILES O[C@@H](CNCCCCCCCOc1cccc(c1)C(NC(=O)O[C@H]1CN2CCC1CC2)c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:1.0,wD:23.23,(39.22,-23.81,;40.55,-24.58,;41.88,-23.8,;43.22,-24.57,;44.55,-23.79,;45.89,-24.56,;47.22,-23.79,;48.55,-24.55,;49.89,-23.78,;51.22,-24.54,;52.55,-23.77,;53.89,-24.54,;55.22,-23.76,;55.21,-22.23,;56.54,-21.45,;57.88,-22.22,;57.88,-23.76,;56.55,-24.53,;59.22,-24.53,;60.55,-23.75,;61.89,-24.51,;61.89,-26.06,;63.22,-23.74,;64.55,-24.5,;64.55,-26.05,;65.88,-26.81,;67.21,-26.05,;67.21,-24.5,;65.87,-23.73,;66.63,-25.06,;65.1,-25.47,;59.22,-26.07,;57.89,-26.83,;57.89,-28.37,;59.23,-29.14,;60.56,-28.36,;60.55,-26.82,;40.56,-26.12,;39.23,-26.89,;39.23,-28.43,;40.56,-29.2,;40.56,-30.74,;41.89,-28.43,;43.22,-29.2,;44.56,-28.43,;45.89,-29.2,;44.56,-26.88,;43.23,-26.1,;41.89,-26.88,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of 125I-cyanopindolol from human adrenergic beta2 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127975
BindingDB Entry DOI: 10.7270/Q2F193HC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50569290
(CHEMBL4871517)Show SMILES O[C@@H](CNCCCNC(=O)c1ccc(COc2cccc(c2)-c2ccc(cc2)[C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:33.34,1.0,wD:28.30,(31.17,-6.07,;32.5,-6.84,;33.84,-6.06,;35.17,-6.83,;36.5,-6.05,;37.84,-6.82,;39.17,-6.05,;40.51,-6.81,;41.84,-6.04,;41.83,-4.5,;43.17,-6.8,;43.18,-8.34,;44.51,-9.11,;45.84,-8.33,;47.18,-9.1,;48.51,-8.32,;49.85,-9.08,;49.85,-10.62,;51.19,-11.38,;52.52,-10.61,;52.51,-9.06,;51.17,-8.3,;53.84,-8.28,;55.17,-9.04,;56.51,-8.27,;56.5,-6.72,;55.16,-5.96,;53.84,-6.74,;57.83,-5.94,;59.17,-6.7,;60.5,-5.92,;60.49,-4.38,;61.84,-6.69,;63.17,-5.91,;63.15,-4.38,;64.49,-3.61,;65.83,-4.37,;65.83,-5.91,;64.5,-6.68,;65.2,-5.33,;63.71,-4.93,;57.82,-4.4,;59.15,-3.63,;59.15,-2.09,;57.81,-1.33,;56.47,-2.11,;56.49,-3.65,;45.83,-6.78,;44.5,-6.02,;32.51,-8.38,;31.18,-9.15,;31.18,-10.69,;32.51,-11.46,;32.51,-13,;33.84,-10.69,;35.17,-11.46,;36.51,-10.69,;37.85,-11.46,;36.52,-9.14,;35.18,-8.36,;33.84,-9.14,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-N-methylscopolamine from human muscarinic M3 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127975
BindingDB Entry DOI: 10.7270/Q2F193HC |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50569300
(CHEMBL4871702)Show SMILES O[C@@H](CNCCCN(Cc1ccccc1)C(=O)c1ccc(COc2cccc(c2)-c2ccc(cc2)[C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:40.42,1.0,wD:35.38,(46.1,-20.06,;47.43,-20.83,;48.76,-20.05,;50.1,-20.82,;51.43,-20.05,;52.77,-20.81,;54.1,-20.04,;55.44,-20.81,;55.44,-22.35,;56.53,-23.43,;56.13,-24.91,;57.21,-25.99,;58.7,-25.59,;59.09,-24.1,;58,-23.03,;56.77,-20.03,;56.76,-18.49,;58.11,-20.8,;58.11,-22.33,;59.44,-23.1,;60.78,-22.33,;62.11,-23.09,;63.44,-22.31,;64.78,-23.08,;64.79,-24.61,;66.12,-25.38,;67.45,-24.6,;67.44,-23.05,;66.11,-22.3,;68.78,-22.27,;70.11,-23.04,;71.44,-22.26,;71.43,-20.71,;70.1,-19.96,;68.78,-20.73,;72.77,-19.93,;74.11,-20.69,;75.44,-19.91,;75.43,-18.37,;76.77,-20.68,;78.1,-19.9,;78.09,-18.37,;79.43,-17.6,;80.77,-18.36,;80.77,-19.9,;79.44,-20.68,;80.14,-19.32,;78.65,-18.92,;72.76,-18.39,;74.09,-17.62,;74.08,-16.08,;72.75,-15.32,;71.41,-16.1,;71.42,-17.64,;60.77,-20.78,;59.43,-20.02,;47.44,-22.37,;46.11,-23.14,;46.1,-24.69,;47.44,-25.46,;47.44,-27,;48.77,-24.68,;50.1,-25.45,;51.44,-24.68,;52.78,-25.46,;51.45,-23.14,;50.11,-22.36,;48.77,-23.13,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of 125I-cyanopindolol from human adrenergic beta2 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127975
BindingDB Entry DOI: 10.7270/Q2F193HC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50569300
(CHEMBL4871702)Show SMILES O[C@@H](CNCCCN(Cc1ccccc1)C(=O)c1ccc(COc2cccc(c2)-c2ccc(cc2)[C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:40.42,1.0,wD:35.38,(46.1,-20.06,;47.43,-20.83,;48.76,-20.05,;50.1,-20.82,;51.43,-20.05,;52.77,-20.81,;54.1,-20.04,;55.44,-20.81,;55.44,-22.35,;56.53,-23.43,;56.13,-24.91,;57.21,-25.99,;58.7,-25.59,;59.09,-24.1,;58,-23.03,;56.77,-20.03,;56.76,-18.49,;58.11,-20.8,;58.11,-22.33,;59.44,-23.1,;60.78,-22.33,;62.11,-23.09,;63.44,-22.31,;64.78,-23.08,;64.79,-24.61,;66.12,-25.38,;67.45,-24.6,;67.44,-23.05,;66.11,-22.3,;68.78,-22.27,;70.11,-23.04,;71.44,-22.26,;71.43,-20.71,;70.1,-19.96,;68.78,-20.73,;72.77,-19.93,;74.11,-20.69,;75.44,-19.91,;75.43,-18.37,;76.77,-20.68,;78.1,-19.9,;78.09,-18.37,;79.43,-17.6,;80.77,-18.36,;80.77,-19.9,;79.44,-20.68,;80.14,-19.32,;78.65,-18.92,;72.76,-18.39,;74.09,-17.62,;74.08,-16.08,;72.75,-15.32,;71.41,-16.1,;71.42,-17.64,;60.77,-20.78,;59.43,-20.02,;47.44,-22.37,;46.11,-23.14,;46.1,-24.69,;47.44,-25.46,;47.44,-27,;48.77,-24.68,;50.1,-25.45,;51.44,-24.68,;52.78,-25.46,;51.45,-23.14,;50.11,-22.36,;48.77,-23.13,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-N-methylscopolamine from human muscarinic M3 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127975
BindingDB Entry DOI: 10.7270/Q2F193HC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50569301
(CHEMBL4854091)Show SMILES O[C@@H](CNCCc1ccc(COc2cccc(c2)[C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:1.0,18.19,wD:23.23,(1.74,-37.97,;3.08,-38.73,;4.41,-37.96,;5.75,-38.72,;7.08,-37.95,;8.41,-38.72,;9.75,-37.94,;11.08,-38.71,;12.41,-37.94,;12.4,-36.4,;13.74,-35.62,;15.07,-36.39,;16.4,-35.61,;16.39,-34.08,;17.71,-33.3,;19.06,-34.06,;19.06,-35.6,;17.73,-36.38,;20.4,-36.37,;21.73,-35.59,;23.07,-36.36,;23.07,-37.9,;24.4,-35.58,;25.74,-36.35,;25.73,-37.9,;27.06,-38.66,;28.39,-37.89,;28.39,-36.35,;27.05,-35.58,;27.81,-36.91,;26.28,-37.32,;20.41,-37.91,;19.08,-38.68,;19.08,-40.22,;20.42,-40.98,;21.76,-40.2,;21.74,-38.66,;11.06,-35.63,;9.73,-36.41,;3.08,-40.27,;1.76,-41.04,;1.75,-42.59,;3.09,-43.36,;3.09,-44.9,;4.42,-42.58,;5.75,-43.35,;7.09,-42.59,;8.42,-43.36,;7.09,-41.04,;5.75,-40.26,;4.42,-41.04,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-N-methylscopolamine from human muscarinic M3 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127975
BindingDB Entry DOI: 10.7270/Q2F193HC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50595404
(CHEMBL5184455)Show SMILES O[C@@H](CNCCCCOC(=O)c1ccc(COc2cccc(c2)[C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:1.0,wD:23.24,28.28,(-14.67,-1.16,;-13.33,-1.93,;-12,-1.16,;-10.67,-1.93,;-9.33,-1.16,;-8,-1.93,;-6.66,-1.16,;-5.33,-1.93,;-4,-1.16,;-2.66,-1.93,;-2.66,-3.47,;-1.33,-1.16,;.01,-1.93,;1.34,-1.16,;1.34,.38,;2.67,1.15,;4.01,.38,;5.34,1.15,;6.67,.39,;8,1.16,;8,2.69,;6.67,3.46,;5.34,2.69,;6.67,5,;8.01,5.77,;9.34,5,;9.34,3.46,;10.67,5.77,;12.01,5,;12.01,3.46,;13.34,2.69,;12.63,3.93,;14.05,4.54,;13.34,5.77,;14.67,5,;14.67,3.46,;5.34,5.77,;5.34,7.31,;4,8.08,;2.67,7.31,;2.67,5.77,;4,5,;-0,1.15,;-1.33,.38,;-13.33,-3.47,;-14.67,-4.24,;-14.67,-5.78,;-13.34,-6.54,;-13.34,-8.08,;-12,-5.77,;-10.67,-6.55,;-9.34,-5.77,;-8.01,-6.54,;-9.34,-4.24,;-10.67,-3.47,;-12,-4.24,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| |
J Med Chem 48: 4500-3 (2005)
Article DOI: 10.1021/acs.jmedchem.2c00609
BindingDB Entry DOI: 10.7270/Q2TH8RQS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50569291
(CHEMBL4847910)Show SMILES O[C@@H](CNCCCCCCOc1cccc(c1)[C@@H](NC(=O)O[C@H]1CN2CCC1CC2)c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:22.22,1.0,wD:17.18,(1.78,-6.07,;3.12,-6.84,;4.45,-6.06,;5.79,-6.83,;7.12,-6.05,;8.45,-6.82,;9.78,-6.05,;11.12,-6.81,;12.45,-6.04,;13.79,-6.8,;15.12,-6.03,;16.45,-6.8,;16.45,-8.34,;17.78,-9.11,;19.12,-8.33,;19.11,-6.78,;17.77,-6.02,;20.44,-6,;21.78,-6.76,;23.11,-5.98,;23.1,-4.44,;24.45,-6.75,;25.77,-5.97,;25.76,-4.44,;27.1,-3.67,;28.44,-4.43,;28.44,-5.97,;27.11,-6.75,;27.81,-5.39,;26.32,-4.99,;20.43,-4.46,;21.76,-3.69,;21.76,-2.16,;20.42,-1.39,;19.08,-2.17,;19.1,-3.71,;3.12,-8.38,;1.79,-9.15,;1.79,-10.69,;3.13,-11.46,;3.13,-13,;4.46,-10.69,;5.79,-11.46,;7.13,-10.69,;8.46,-11.46,;7.13,-9.14,;5.79,-8.36,;4.46,-9.14,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-N-methylscopolamine from human muscarinic M3 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127975
BindingDB Entry DOI: 10.7270/Q2F193HC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50569301
(CHEMBL4854091)Show SMILES O[C@@H](CNCCc1ccc(COc2cccc(c2)[C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:1.0,18.19,wD:23.23,(1.74,-37.97,;3.08,-38.73,;4.41,-37.96,;5.75,-38.72,;7.08,-37.95,;8.41,-38.72,;9.75,-37.94,;11.08,-38.71,;12.41,-37.94,;12.4,-36.4,;13.74,-35.62,;15.07,-36.39,;16.4,-35.61,;16.39,-34.08,;17.71,-33.3,;19.06,-34.06,;19.06,-35.6,;17.73,-36.38,;20.4,-36.37,;21.73,-35.59,;23.07,-36.36,;23.07,-37.9,;24.4,-35.58,;25.74,-36.35,;25.73,-37.9,;27.06,-38.66,;28.39,-37.89,;28.39,-36.35,;27.05,-35.58,;27.81,-36.91,;26.28,-37.32,;20.41,-37.91,;19.08,-38.68,;19.08,-40.22,;20.42,-40.98,;21.76,-40.2,;21.74,-38.66,;11.06,-35.63,;9.73,-36.41,;3.08,-40.27,;1.76,-41.04,;1.75,-42.59,;3.09,-43.36,;3.09,-44.9,;4.42,-42.58,;5.75,-43.35,;7.09,-42.59,;8.42,-43.36,;7.09,-41.04,;5.75,-40.26,;4.42,-41.04,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| |
J Med Chem 48: 4500-3 (2005)
Article DOI: 10.1021/acs.jmedchem.2c00609
BindingDB Entry DOI: 10.7270/Q2TH8RQS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50569296
(CHEMBL4852629)Show SMILES O[C@@H](CNCCCCCCCCOc1cccc(c1)C(NC(=O)O[C@H]1CN2CCC1CC2)c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:1.0,24.24,(3.65,-24.81,;4.98,-25.58,;6.32,-24.81,;7.65,-25.57,;8.98,-24.8,;10.32,-25.56,;11.65,-24.79,;12.99,-25.56,;14.32,-24.78,;15.65,-25.55,;16.99,-24.77,;18.32,-25.54,;19.65,-24.77,;20.99,-25.42,;20.98,-26.95,;22.32,-27.72,;23.65,-26.94,;23.64,-25.4,;22.31,-24.64,;24.98,-24.61,;26.31,-25.37,;27.64,-24.6,;27.63,-23.06,;28.98,-25.36,;30.31,-24.58,;30.3,-23.05,;31.63,-22.28,;32.97,-23.05,;32.97,-24.59,;31.65,-25.36,;32.34,-24,;30.85,-23.61,;24.97,-23.08,;26.3,-22.31,;26.29,-20.77,;24.95,-20,;23.62,-20.79,;23.63,-22.32,;4.99,-27.12,;3.66,-27.89,;3.66,-29.44,;4.99,-30.21,;5,-31.75,;6.32,-29.43,;7.65,-30.2,;9,-29.43,;10.33,-30.21,;9,-27.89,;7.66,-27.11,;6.32,-27.88,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-N-methylscopolamine from human muscarinic M3 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127975
BindingDB Entry DOI: 10.7270/Q2F193HC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50595425
(CHEMBL5208957)Show SMILES O[C@@H](CNCCCCOC(=O)c1coc(COc2cccc(c2)[C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)n1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:1.0,wD:23.24,28.28,(-14.71,.22,;-13.34,-.48,;-12.05,.36,;-10.68,-.34,;-9.38,.5,;-8.01,-.2,;-6.72,.63,;-5.35,-.07,;-4.06,.77,;-2.69,.07,;-2.61,-1.47,;-1.39,.91,;-1.31,2.44,;.18,2.84,;1.01,1.55,;2.55,1.47,;3.25,.1,;4.79,.01,;5.49,-1.36,;7.02,-1.44,;7.86,-.15,;7.16,1.22,;5.63,1.3,;8,2.51,;9.54,2.43,;10.24,1.06,;9.4,-.23,;11.78,.98,;12.48,-.4,;11.64,-1.69,;12.33,-3.06,;12.41,-1.64,;13.94,-1.9,;14.01,-.48,;14.71,-1.85,;13.87,-3.14,;7.31,3.89,;5.77,3.97,;5.07,5.34,;5.91,6.63,;7.45,6.55,;8.15,5.18,;.04,.35,;-13.26,-2.02,;-14.55,-2.86,;-14.47,-4.39,;-13.1,-5.09,;-13.02,-6.63,;-11.81,-4.26,;-10.44,-4.96,;-9.15,-4.12,;-7.77,-4.82,;-9.23,-2.58,;-10.6,-1.88,;-11.89,-2.72,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| |
J Med Chem 48: 4500-3 (2005)
Article DOI: 10.1021/acs.jmedchem.2c00609
BindingDB Entry DOI: 10.7270/Q2TH8RQS |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50569302
(CHEMBL4878138)Show SMILES COc1cc(C(=O)NCCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of 125I-cyanopindolol from human adrenergic beta2 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127975
BindingDB Entry DOI: 10.7270/Q2F193HC |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50569297
(CHEMBL4846536)Show SMILES O[C@@H](CNCCCCCCCCCOc1cccc(c1)C(NC(=O)O[C@H]1CN2CCC1CC2)c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:1.0,wD:25.25,(48.77,-6.75,;50.1,-7.51,;51.43,-6.74,;52.77,-7.5,;54.1,-6.73,;55.44,-7.5,;56.77,-6.72,;58.11,-7.49,;59.44,-6.71,;60.77,-7.48,;62.1,-6.71,;63.44,-7.47,;64.77,-6.7,;66.11,-7.46,;67.44,-6.69,;67.43,-5.16,;68.75,-4.38,;70.1,-5.15,;70.1,-6.69,;68.77,-7.46,;71.44,-7.45,;72.77,-6.68,;74.11,-7.44,;74.11,-8.99,;75.44,-6.67,;76.77,-7.43,;76.77,-8.98,;78.1,-9.74,;79.43,-8.97,;79.43,-7.43,;78.09,-6.66,;78.85,-7.99,;77.32,-8.4,;71.44,-8.99,;70.11,-9.76,;70.11,-11.3,;71.45,-12.07,;72.78,-11.28,;72.77,-9.75,;50.11,-9.05,;48.78,-9.82,;48.78,-11.37,;50.11,-12.14,;50.11,-13.68,;51.44,-11.36,;52.77,-12.13,;54.11,-11.37,;55.44,-12.14,;54.12,-9.82,;52.78,-9.04,;51.44,-9.82,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of 125I-cyanopindolol from human adrenergic beta2 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127975
BindingDB Entry DOI: 10.7270/Q2F193HC |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50569296
(CHEMBL4852629)Show SMILES O[C@@H](CNCCCCCCCCOc1cccc(c1)C(NC(=O)O[C@H]1CN2CCC1CC2)c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:1.0,24.24,(3.65,-24.81,;4.98,-25.58,;6.32,-24.81,;7.65,-25.57,;8.98,-24.8,;10.32,-25.56,;11.65,-24.79,;12.99,-25.56,;14.32,-24.78,;15.65,-25.55,;16.99,-24.77,;18.32,-25.54,;19.65,-24.77,;20.99,-25.42,;20.98,-26.95,;22.32,-27.72,;23.65,-26.94,;23.64,-25.4,;22.31,-24.64,;24.98,-24.61,;26.31,-25.37,;27.64,-24.6,;27.63,-23.06,;28.98,-25.36,;30.31,-24.58,;30.3,-23.05,;31.63,-22.28,;32.97,-23.05,;32.97,-24.59,;31.65,-25.36,;32.34,-24,;30.85,-23.61,;24.97,-23.08,;26.3,-22.31,;26.29,-20.77,;24.95,-20,;23.62,-20.79,;23.63,-22.32,;4.99,-27.12,;3.66,-27.89,;3.66,-29.44,;4.99,-30.21,;5,-31.75,;6.32,-29.43,;7.65,-30.2,;9,-29.43,;10.33,-30.21,;9,-27.89,;7.66,-27.11,;6.32,-27.88,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of 125I-cyanopindolol from human adrenergic beta2 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127975
BindingDB Entry DOI: 10.7270/Q2F193HC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50595427
(CHEMBL5200887)Show SMILES COc1cc(ccc1COc1cccc(c1)[C@@H](NC(=O)O[C@H]1CN2CCC1CC2)c1ccccc1)C(=O)OCCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:44.49,wD:16.18,21.22,(3.34,-1.15,;3.34,.39,;2,1.16,;.67,.39,;-.67,1.15,;-.67,2.69,;.67,3.47,;2,2.7,;3.33,3.47,;4.67,2.7,;6,3.47,;6,5.01,;7.33,5.78,;8.67,5.02,;8.67,3.48,;7.33,2.7,;10,2.71,;10,1.17,;8.67,.4,;7.34,1.16,;8.67,-1.14,;7.34,-1.92,;6.01,-1.15,;4.67,-1.92,;6.1,-1.92,;5.92,-3.46,;7.34,-3.46,;6.01,-4.23,;4.68,-3.46,;11.33,3.48,;11.33,5.02,;12.67,5.79,;14,5.02,;14,3.48,;12.67,2.71,;-2,.38,;-2,-1.16,;-3.33,1.15,;-4.67,.38,;-6,1.15,;-7.33,.38,;-8.67,1.14,;-10,.37,;-11.33,1.14,;-12.67,.37,;-14,1.14,;-12.67,-1.17,;-14,-1.94,;-14,-3.48,;-12.66,-4.25,;-12.66,-5.79,;-11.33,-3.48,;-9.99,-4.25,;-8.66,-3.48,;-7.33,-4.24,;-8.66,-1.94,;-10,-1.17,;-11.33,-1.94,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| |
J Med Chem 48: 4500-3 (2005)
Article DOI: 10.1021/acs.jmedchem.2c00609
BindingDB Entry DOI: 10.7270/Q2TH8RQS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50569297
(CHEMBL4846536)Show SMILES O[C@@H](CNCCCCCCCCCOc1cccc(c1)C(NC(=O)O[C@H]1CN2CCC1CC2)c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:1.0,wD:25.25,(48.77,-6.75,;50.1,-7.51,;51.43,-6.74,;52.77,-7.5,;54.1,-6.73,;55.44,-7.5,;56.77,-6.72,;58.11,-7.49,;59.44,-6.71,;60.77,-7.48,;62.1,-6.71,;63.44,-7.47,;64.77,-6.7,;66.11,-7.46,;67.44,-6.69,;67.43,-5.16,;68.75,-4.38,;70.1,-5.15,;70.1,-6.69,;68.77,-7.46,;71.44,-7.45,;72.77,-6.68,;74.11,-7.44,;74.11,-8.99,;75.44,-6.67,;76.77,-7.43,;76.77,-8.98,;78.1,-9.74,;79.43,-8.97,;79.43,-7.43,;78.09,-6.66,;78.85,-7.99,;77.32,-8.4,;71.44,-8.99,;70.11,-9.76,;70.11,-11.3,;71.45,-12.07,;72.78,-11.28,;72.77,-9.75,;50.11,-9.05,;48.78,-9.82,;48.78,-11.37,;50.11,-12.14,;50.11,-13.68,;51.44,-11.36,;52.77,-12.13,;54.11,-11.37,;55.44,-12.14,;54.12,-9.82,;52.78,-9.04,;51.44,-9.82,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-N-methylscopolamine from human muscarinic M3 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127975
BindingDB Entry DOI: 10.7270/Q2F193HC |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50569298
(CHEMBL4878395)Show SMILES O[C@@H](CNCCCCCCCCCOc1ccc(cc1)C(NC(=O)O[C@H]1CN2CCC1CC2)c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:1.0,25.25,(3.18,-8.47,;4.52,-9.24,;5.85,-8.47,;7.19,-9.23,;8.52,-8.46,;9.85,-9.22,;11.18,-8.45,;12.52,-9.22,;13.85,-8.44,;15.19,-9.21,;16.52,-8.43,;17.85,-9.2,;19.19,-8.43,;20.52,-9.19,;21.85,-8.42,;23.19,-9.19,;24.52,-8.41,;24.51,-6.87,;23.17,-6.11,;21.84,-6.88,;25.84,-6.1,;27.18,-6.86,;28.51,-6.08,;28.5,-4.54,;29.85,-6.84,;31.18,-6.06,;31.17,-4.53,;32.5,-3.76,;33.84,-4.53,;33.84,-6.07,;32.52,-6.84,;33.21,-5.48,;31.73,-5.09,;25.84,-4.56,;27.17,-3.79,;27.16,-2.25,;25.82,-1.48,;24.49,-2.27,;24.5,-3.8,;4.52,-10.78,;3.19,-11.55,;3.19,-13.09,;4.53,-13.86,;4.53,-15.4,;5.86,-13.09,;7.19,-13.86,;8.53,-13.09,;9.86,-13.87,;8.53,-11.55,;7.19,-10.77,;5.86,-11.54,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of 125I-cyanopindolol from human adrenergic beta2 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127975
BindingDB Entry DOI: 10.7270/Q2F193HC |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50569301
(CHEMBL4854091)Show SMILES O[C@@H](CNCCc1ccc(COc2cccc(c2)[C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:1.0,18.19,wD:23.23,(1.74,-37.97,;3.08,-38.73,;4.41,-37.96,;5.75,-38.72,;7.08,-37.95,;8.41,-38.72,;9.75,-37.94,;11.08,-38.71,;12.41,-37.94,;12.4,-36.4,;13.74,-35.62,;15.07,-36.39,;16.4,-35.61,;16.39,-34.08,;17.71,-33.3,;19.06,-34.06,;19.06,-35.6,;17.73,-36.38,;20.4,-36.37,;21.73,-35.59,;23.07,-36.36,;23.07,-37.9,;24.4,-35.58,;25.74,-36.35,;25.73,-37.9,;27.06,-38.66,;28.39,-37.89,;28.39,-36.35,;27.05,-35.58,;27.81,-36.91,;26.28,-37.32,;20.41,-37.91,;19.08,-38.68,;19.08,-40.22,;20.42,-40.98,;21.76,-40.2,;21.74,-38.66,;11.06,-35.63,;9.73,-36.41,;3.08,-40.27,;1.76,-41.04,;1.75,-42.59,;3.09,-43.36,;3.09,-44.9,;4.42,-42.58,;5.75,-43.35,;7.09,-42.59,;8.42,-43.36,;7.09,-41.04,;5.75,-40.26,;4.42,-41.04,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of 125I-cyanopindolol from human adrenergic beta2 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127975
BindingDB Entry DOI: 10.7270/Q2F193HC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50569299
(CHEMBL4866806)Show SMILES CCN(CCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)C(=O)c1ccc(COc2cccc(c2)-c2ccc(cc2)[C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1 |r,wU:47.50,8.8,wD:42.46,(11.54,-25.97,;12.87,-25.19,;12.87,-23.65,;11.53,-22.89,;10.2,-23.66,;8.87,-22.89,;7.54,-23.67,;6.2,-22.9,;4.87,-23.68,;3.53,-22.91,;4.87,-25.22,;3.54,-25.99,;3.54,-27.53,;4.88,-28.3,;4.88,-29.84,;6.21,-27.53,;7.54,-28.3,;8.88,-27.53,;10.21,-28.3,;8.88,-25.98,;7.54,-25.2,;6.21,-25.98,;14.2,-22.88,;14.2,-21.34,;15.54,-23.64,;15.54,-25.18,;16.87,-25.94,;18.21,-25.17,;19.54,-25.94,;20.87,-25.16,;22.21,-25.92,;22.22,-27.46,;23.55,-28.22,;24.88,-27.45,;24.87,-25.9,;23.53,-25.14,;26.2,-25.12,;27.54,-25.88,;28.87,-25.11,;28.86,-23.56,;27.53,-22.8,;26.21,-23.58,;30.19,-22.78,;31.53,-23.54,;32.86,-22.76,;32.85,-21.22,;34.2,-23.52,;35.53,-22.75,;35.52,-21.22,;36.85,-20.44,;38.19,-21.21,;38.19,-22.75,;36.87,-23.52,;37.56,-22.17,;36.07,-21.77,;30.19,-21.24,;31.52,-20.47,;31.51,-18.93,;30.17,-18.17,;28.84,-18.95,;28.85,-20.49,;18.2,-23.62,;16.86,-22.86,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-N-methylscopolamine from human muscarinic M3 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127975
BindingDB Entry DOI: 10.7270/Q2F193HC |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50569301
(CHEMBL4854091)Show SMILES O[C@@H](CNCCc1ccc(COc2cccc(c2)[C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:1.0,18.19,wD:23.23,(1.74,-37.97,;3.08,-38.73,;4.41,-37.96,;5.75,-38.72,;7.08,-37.95,;8.41,-38.72,;9.75,-37.94,;11.08,-38.71,;12.41,-37.94,;12.4,-36.4,;13.74,-35.62,;15.07,-36.39,;16.4,-35.61,;16.39,-34.08,;17.71,-33.3,;19.06,-34.06,;19.06,-35.6,;17.73,-36.38,;20.4,-36.37,;21.73,-35.59,;23.07,-36.36,;23.07,-37.9,;24.4,-35.58,;25.74,-36.35,;25.73,-37.9,;27.06,-38.66,;28.39,-37.89,;28.39,-36.35,;27.05,-35.58,;27.81,-36.91,;26.28,-37.32,;20.41,-37.91,;19.08,-38.68,;19.08,-40.22,;20.42,-40.98,;21.76,-40.2,;21.74,-38.66,;11.06,-35.63,;9.73,-36.41,;3.08,-40.27,;1.76,-41.04,;1.75,-42.59,;3.09,-43.36,;3.09,-44.9,;4.42,-42.58,;5.75,-43.35,;7.09,-42.59,;8.42,-43.36,;7.09,-41.04,;5.75,-40.26,;4.42,-41.04,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| |
J Med Chem 48: 4500-3 (2005)
Article DOI: 10.1021/acs.jmedchem.2c00609
BindingDB Entry DOI: 10.7270/Q2TH8RQS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50595403
(CHEMBL5208201)Show SMILES O[C@@H](CNCCCCOC(=O)c1ccc(COc2cccc(c2)C(NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:1.0,wD:28.28,(-14.67,-1.16,;-13.33,-1.93,;-12,-1.16,;-10.66,-1.93,;-9.33,-1.16,;-8,-1.93,;-6.66,-1.16,;-5.33,-1.93,;-3.99,-1.16,;-2.66,-1.93,;-2.66,-3.47,;-1.33,-1.16,;.01,-1.93,;1.34,-1.16,;1.34,.38,;2.67,1.15,;4.01,.38,;5.34,1.15,;6.67,.39,;8,1.16,;8,2.69,;6.67,3.46,;5.34,2.69,;6.67,5,;8,5.77,;9.34,5,;9.34,3.46,;10.67,5.77,;12.01,5,;12.01,3.46,;13.34,2.69,;14.67,3.46,;14.67,5,;13.34,5.77,;14.05,4.54,;12.63,3.93,;5.34,5.77,;5.34,7.31,;4,8.08,;2.67,7.31,;2.67,5.77,;4,5,;-0,1.15,;-1.33,.38,;-13.33,-3.47,;-14.67,-4.24,;-14.67,-5.78,;-13.33,-6.54,;-13.33,-8.08,;-12,-5.77,;-10.67,-6.54,;-9.34,-5.77,;-8.01,-6.54,;-9.34,-4.24,;-10.67,-3.47,;-12,-4.24,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| |
J Med Chem 48: 4500-3 (2005)
Article DOI: 10.1021/acs.jmedchem.2c00609
BindingDB Entry DOI: 10.7270/Q2TH8RQS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50569294
(CHEMBL4863525)Show SMILES O[C@@H](CNCCCCCCOc1cccc(c1)C(NC(=O)O[C@H]1CN2CCC1CC2)c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:22.22,1.0,(-.19,-37.45,;1.15,-38.22,;2.48,-37.45,;3.82,-38.21,;5.15,-37.44,;6.49,-38.2,;7.82,-37.43,;9.15,-38.2,;10.48,-37.42,;11.82,-38.19,;13.15,-37.41,;14.49,-38.19,;14.48,-39.72,;15.82,-40.49,;17.15,-39.72,;17.14,-38.17,;15.8,-37.41,;18.47,-37.38,;19.81,-38.15,;21.14,-37.37,;21.13,-35.83,;22.48,-38.13,;23.81,-37.35,;23.79,-35.82,;25.13,-35.05,;26.47,-35.82,;26.47,-37.36,;25.14,-38.13,;25.84,-36.77,;24.35,-36.38,;18.46,-35.85,;19.79,-35.08,;19.79,-33.54,;18.45,-32.77,;17.12,-33.56,;17.13,-35.09,;1.16,-39.76,;-.18,-40.53,;-.18,-42.07,;1.16,-42.85,;1.16,-44.39,;2.49,-42.07,;3.82,-42.84,;5.16,-42.07,;6.49,-42.85,;5.16,-40.53,;3.82,-39.75,;2.49,-40.52,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-N-methylscopolamine from human muscarinic M3 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127975
BindingDB Entry DOI: 10.7270/Q2F193HC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50569295
(CHEMBL4854418)Show SMILES O[C@@H](CNCCCCCCCOc1cccc(c1)C(NC(=O)O[C@H]1CN2CCC1CC2)c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:1.0,wD:23.23,(39.22,-23.81,;40.55,-24.58,;41.88,-23.8,;43.22,-24.57,;44.55,-23.79,;45.89,-24.56,;47.22,-23.79,;48.55,-24.55,;49.89,-23.78,;51.22,-24.54,;52.55,-23.77,;53.89,-24.54,;55.22,-23.76,;55.21,-22.23,;56.54,-21.45,;57.88,-22.22,;57.88,-23.76,;56.55,-24.53,;59.22,-24.53,;60.55,-23.75,;61.89,-24.51,;61.89,-26.06,;63.22,-23.74,;64.55,-24.5,;64.55,-26.05,;65.88,-26.81,;67.21,-26.05,;67.21,-24.5,;65.87,-23.73,;66.63,-25.06,;65.1,-25.47,;59.22,-26.07,;57.89,-26.83,;57.89,-28.37,;59.23,-29.14,;60.56,-28.36,;60.55,-26.82,;40.56,-26.12,;39.23,-26.89,;39.23,-28.43,;40.56,-29.2,;40.56,-30.74,;41.89,-28.43,;43.22,-29.2,;44.56,-28.43,;45.89,-29.2,;44.56,-26.88,;43.23,-26.1,;41.89,-26.88,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-N-methylscopolamine from human muscarinic M3 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127975
BindingDB Entry DOI: 10.7270/Q2F193HC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50569293
(CHEMBL4874819)Show SMILES O[C@@H](CNCCCCCOc1cccc(c1)C(NC(=O)O[C@H]1CN2CCC1CC2)c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:1.0,wD:21.21,(24.25,-39.74,;25.59,-40.51,;26.92,-39.73,;28.26,-40.5,;29.59,-39.72,;30.92,-40.49,;32.25,-39.72,;33.59,-40.48,;34.92,-39.71,;36.26,-40.47,;37.6,-39.7,;37.59,-38.17,;38.91,-37.39,;40.26,-38.15,;40.26,-39.7,;38.93,-40.47,;41.6,-40.46,;42.93,-39.69,;44.26,-40.45,;44.27,-42,;45.59,-39.67,;46.93,-40.44,;46.92,-41.99,;48.25,-42.75,;49.59,-41.98,;49.59,-40.44,;48.25,-39.67,;49.01,-41,;47.47,-41.41,;41.6,-42,;40.26,-42.77,;40.27,-44.31,;41.6,-45.07,;42.94,-44.29,;42.93,-42.76,;25.59,-42.05,;24.26,-42.82,;24.26,-44.36,;25.6,-45.13,;25.6,-46.67,;26.93,-44.36,;28.26,-45.13,;29.6,-44.36,;30.93,-45.13,;29.6,-42.81,;28.26,-42.03,;26.93,-42.81,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-N-methylscopolamine from human muscarinic M3 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127975
BindingDB Entry DOI: 10.7270/Q2F193HC |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50569291
(CHEMBL4847910)Show SMILES O[C@@H](CNCCCCCCOc1cccc(c1)[C@@H](NC(=O)O[C@H]1CN2CCC1CC2)c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:22.22,1.0,wD:17.18,(1.78,-6.07,;3.12,-6.84,;4.45,-6.06,;5.79,-6.83,;7.12,-6.05,;8.45,-6.82,;9.78,-6.05,;11.12,-6.81,;12.45,-6.04,;13.79,-6.8,;15.12,-6.03,;16.45,-6.8,;16.45,-8.34,;17.78,-9.11,;19.12,-8.33,;19.11,-6.78,;17.77,-6.02,;20.44,-6,;21.78,-6.76,;23.11,-5.98,;23.1,-4.44,;24.45,-6.75,;25.77,-5.97,;25.76,-4.44,;27.1,-3.67,;28.44,-4.43,;28.44,-5.97,;27.11,-6.75,;27.81,-5.39,;26.32,-4.99,;20.43,-4.46,;21.76,-3.69,;21.76,-2.16,;20.42,-1.39,;19.08,-2.17,;19.1,-3.71,;3.12,-8.38,;1.79,-9.15,;1.79,-10.69,;3.13,-11.46,;3.13,-13,;4.46,-10.69,;5.79,-11.46,;7.13,-10.69,;8.46,-11.46,;7.13,-9.14,;5.79,-8.36,;4.46,-9.14,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of 125I-cyanopindolol from human adrenergic beta2 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127975
BindingDB Entry DOI: 10.7270/Q2F193HC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50595405
(CHEMBL5184598)Show SMILES O[C@@H](CNCCCCOC(=O)c1ccc(COc2cccc(c2)[C@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:1.0,23.24,wD:28.28,(-14.67,-1.16,;-13.33,-1.93,;-12,-1.16,;-10.67,-1.93,;-9.33,-1.16,;-8,-1.93,;-6.66,-1.16,;-5.33,-1.93,;-4,-1.16,;-2.66,-1.93,;-2.66,-3.47,;-1.33,-1.16,;.01,-1.93,;1.34,-1.16,;1.34,.38,;2.67,1.15,;4.01,.38,;5.34,1.15,;6.67,.39,;8,1.16,;8,2.69,;6.67,3.46,;5.34,2.69,;6.67,5,;8,5.77,;9.34,5,;9.34,3.46,;10.67,5.77,;12.01,5,;12.01,3.46,;13.34,2.69,;12.63,3.93,;14.05,4.54,;13.34,5.77,;14.67,5,;14.67,3.46,;5.34,5.77,;5.34,7.31,;4,8.08,;2.67,7.31,;2.67,5.77,;4,5,;-0,1.15,;-1.33,.38,;-13.33,-3.47,;-14.67,-4.24,;-14.67,-5.78,;-13.34,-6.54,;-13.34,-8.08,;-12,-5.77,;-10.67,-6.54,;-9.34,-5.77,;-8.01,-6.54,;-9.34,-4.24,;-10.67,-3.47,;-12,-4.24,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| |
J Med Chem 48: 4500-3 (2005)
Article DOI: 10.1021/acs.jmedchem.2c00609
BindingDB Entry DOI: 10.7270/Q2TH8RQS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50595406
(CHEMBL5200448)Show SMILES COC(=O)c1ccc(COc2cccc(c2)[C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1 |r,wU:16.17,wD:21.21,(-11.34,-1.54,;-10,-.77,;-8.67,-1.54,;-8.67,-3.08,;-7.34,-.77,;-6,-1.54,;-4.67,-.77,;-4.67,.77,;-3.33,1.54,;-2,.77,;-.67,1.54,;-.67,3.08,;.67,3.85,;2,3.08,;2,1.54,;.67,.77,;3.33,.77,;4.67,1.54,;6,.77,;6,-.77,;7.34,1.54,;8.67,.77,;8.67,-.77,;10,-1.54,;11.34,-.77,;11.34,.77,;10,1.54,;10.71,.31,;9.29,-.31,;3.33,-.77,;4.67,-1.54,;4.67,-3.08,;3.33,-3.85,;2,-3.08,;2,-1.54,;-6,1.54,;-7.34,.77,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| |
J Med Chem 48: 4500-3 (2005)
Article DOI: 10.1021/acs.jmedchem.2c00609
BindingDB Entry DOI: 10.7270/Q2TH8RQS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50595422
(CHEMBL5177499)Show SMILES OC(=O)[C@H]1CC[C@H](COc2cccc(c2)[C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)CC1 |r,wU:6.6,15.16,wD:20.20,3.2,(-9.34,-3.08,;-9.34,-1.54,;-10.67,-.77,;-8,-.77,;-6.67,-1.54,;-5.33,-.77,;-5.33,.77,;-4,1.54,;-2.67,.77,;-1.33,1.54,;-1.33,3.08,;,3.85,;1.33,3.08,;1.33,1.54,;,.77,;2.67,.77,;4,1.54,;5.33,.77,;5.33,-.77,;6.67,1.54,;8,.77,;8,-.77,;9.34,-1.54,;10.67,-.77,;10.67,.77,;9.34,1.54,;10.05,.31,;8.62,-.31,;2.67,-.77,;1.33,-1.54,;1.33,-3.08,;2.67,-3.85,;4,-3.08,;4,-1.54,;-6.67,1.54,;-8,.77,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| |
J Med Chem 48: 4500-3 (2005)
Article DOI: 10.1021/acs.jmedchem.2c00609
BindingDB Entry DOI: 10.7270/Q2TH8RQS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50569303
(CHEMBL4869096)Show SMILES O=C(NC(c1ccccc1)c1ccccc1)O[C@H]1CN2CCC1CC2 |r,wD:17.18,(43.12,-47.9,;43.13,-49.44,;41.8,-50.22,;40.46,-49.45,;40.45,-47.92,;41.78,-47.15,;41.78,-45.6,;40.44,-44.84,;39.1,-45.62,;39.11,-47.16,;39.13,-50.24,;37.79,-49.48,;36.47,-50.26,;36.46,-51.8,;37.8,-52.57,;39.14,-51.79,;44.47,-50.2,;45.8,-49.42,;47.14,-50.2,;48.46,-49.43,;48.46,-47.88,;47.12,-47.11,;45.78,-47.89,;47.27,-48.28,;46.92,-49.41,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-N-methylscopolamine from human muscarinic M3 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127975
BindingDB Entry DOI: 10.7270/Q2F193HC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50595408
(CHEMBL5195203)Show SMILES COC(=O)c1ccc(COc2cccc(c2)C(NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1 |r,wD:21.21,(-11.34,-1.54,;-10,-.77,;-8.67,-1.54,;-8.67,-3.08,;-7.34,-.77,;-6,-1.54,;-4.67,-.77,;-4.67,.77,;-3.33,1.54,;-2,.77,;-.67,1.54,;-.67,3.08,;.67,3.85,;2,3.08,;2,1.54,;.67,.77,;3.33,.77,;4.67,1.54,;6,.77,;6,-.77,;7.34,1.54,;8.67,.77,;8.67,-.77,;10,-1.54,;11.34,-.77,;11.34,.77,;10,1.54,;10.71,.31,;9.29,-.31,;3.33,-.77,;4.67,-1.54,;4.67,-3.08,;3.33,-3.85,;2,-3.08,;2,-1.54,;-6,1.54,;-7.34,.77,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| |
J Med Chem 48: 4500-3 (2005)
Article DOI: 10.1021/acs.jmedchem.2c00609
BindingDB Entry DOI: 10.7270/Q2TH8RQS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50595418
(CHEMBL5179380)Show SMILES OC(=O)c1ccc(COc2cccc(c2)[C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cn1 |r,wU:15.16,wD:20.20,THB:19:20:24.23:27.26,(-9.34,-3.08,;-9.34,-1.54,;-10.67,-.77,;-8,-.77,;-8,.77,;-6.67,1.54,;-5.33,.77,;-4,1.54,;-2.67,.77,;-1.33,1.54,;-1.33,3.08,;0,3.85,;1.33,3.08,;1.33,1.54,;0,.77,;2.67,.77,;4,1.54,;5.34,.77,;5.34,-.77,;6.67,1.54,;8,.77,;8,-.77,;9.34,-1.54,;8.62,-.31,;10.05,.31,;9.34,1.54,;10.67,.77,;10.67,-.77,;2.67,-.77,;4,-1.54,;4,-3.08,;2.67,-3.85,;1.33,-3.08,;1.33,-1.54,;-5.33,-.77,;-6.67,-1.54,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| |
J Med Chem 48: 4500-3 (2005)
Article DOI: 10.1021/acs.jmedchem.2c00609
BindingDB Entry DOI: 10.7270/Q2TH8RQS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50595416
(CHEMBL5178217)Show SMILES Cn1nc(COc2cccc(c2)[C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1C(O)=O |r,wU:12.13,wD:17.17,THB:16:17:20.21:23.24,(-9.99,.25,;-8.45,.25,;-7.42,1.4,;-6.01,.77,;-4.68,1.54,;-3.35,.77,;-2.01,1.54,;-2.01,3.08,;-.68,3.85,;.66,3.08,;.66,1.54,;-.68,.77,;1.99,.77,;3.32,1.54,;4.66,.77,;4.66,-.77,;5.99,1.54,;7.32,.77,;7.32,-.77,;8.66,-1.54,;7.95,-.31,;9.37,.31,;8.66,1.54,;9.99,.77,;9.99,-.77,;1.99,-.77,;3.32,-1.54,;3.32,-3.08,;1.99,-3.85,;.66,-3.08,;.66,-1.54,;-6.17,-.76,;-7.68,-1.08,;-8.31,-2.49,;-9.84,-2.65,;-7.4,-3.73,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| |
J Med Chem 48: 4500-3 (2005)
Article DOI: 10.1021/acs.jmedchem.2c00609
BindingDB Entry DOI: 10.7270/Q2TH8RQS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50595419
(CHEMBL5194569)Show SMILES OC(=O)c1ccc(COc2cccc(c2)[C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1F |r,wU:15.16,wD:20.20,(-9.34,-3.08,;-9.34,-1.54,;-10.67,-.77,;-8,-.77,;-6.67,-1.54,;-5.33,-.77,;-5.33,.77,;-4,1.54,;-2.67,.77,;-1.33,1.54,;-1.33,3.08,;0,3.85,;1.33,3.08,;1.33,1.54,;0,.77,;2.67,.77,;4,1.54,;5.34,.77,;5.34,-.77,;6.67,1.54,;8,.77,;8,-.77,;9.34,-1.54,;8.63,-.31,;10.05,.31,;9.34,1.54,;10.67,.77,;10.67,-.77,;2.67,-.77,;4,-1.54,;4,-3.08,;2.67,-3.85,;1.33,-3.08,;1.33,-1.54,;-6.67,1.54,;-8,.77,;-9.34,1.54,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| |
J Med Chem 48: 4500-3 (2005)
Article DOI: 10.1021/acs.jmedchem.2c00609
BindingDB Entry DOI: 10.7270/Q2TH8RQS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50595414
(CHEMBL5187593)Show SMILES OC(=O)c1csc(COc2cccc(c2)[C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)n1 |r,wU:15.16,wD:20.20,THB:19:20:23.24:26.27,(-9.91,-2.65,;-8.38,-2.49,;-7.48,-3.73,;-7.76,-1.08,;-8.53,.25,;-7.5,1.4,;-6.09,.77,;-4.76,1.54,;-3.42,.77,;-2.09,1.54,;-2.09,3.08,;-.75,3.85,;.58,3.08,;.58,1.54,;-.75,.77,;1.91,.77,;3.25,1.54,;4.58,.77,;4.58,-.77,;5.91,1.54,;7.25,.77,;7.25,-.77,;8.58,-1.54,;7.87,-.31,;9.29,.31,;8.58,1.54,;9.91,.77,;9.91,-.77,;1.91,-.77,;3.25,-1.54,;3.25,-3.08,;1.91,-3.85,;.58,-3.08,;.58,-1.54,;-6.25,-.76,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| |
J Med Chem 48: 4500-3 (2005)
Article DOI: 10.1021/acs.jmedchem.2c00609
BindingDB Entry DOI: 10.7270/Q2TH8RQS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50569302
(CHEMBL4878138)Show SMILES COc1cc(C(=O)NCCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-N-methylscopolamine from human muscarinic M3 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127975
BindingDB Entry DOI: 10.7270/Q2F193HC |
More data for this
Ligand-Target Pair | |
Search and Browse
