Found 5 hits in this display 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)) | BDBM238344
(US9394275, I-13 | US9572802, Compound I-13 | US968...)Show SMILES C[C@@H](Cc1cccc(CC(=O)NCCCN(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 Show InChI InChI=1S/C47H56N6O7/c1-32(49-31-42(55)38-16-18-41(54)46-39(38)17-19-43(56)51-46)28-33-10-8-11-34(29-33)30-44(57)48-23-9-24-52(2)45(58)22-27-53-25-20-36(21-26-53)60-47(59)50-40-15-7-6-14-37(40)35-12-4-3-5-13-35/h3-8,10-19,29,32,36,42,49,54-55H,9,20-28,30-31H2,1-2H3,(H,48,57)(H,50,59)(H,51,56)/t32-,42-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| 0.100 | -59.4 | n/a | n/a | n/a | n/a | n/a | n/a | 37 |
Theravance Respiratory Company, LLC
US Patent
| Assay Description
Displacement assays for determination of Ki values of test compounds were performed with [3H]-NMS at 1 nM and eleven different test compound concentr... |
US Patent US9394275 (2016)
BindingDB Entry DOI: 10.7270/Q2NS0SS8 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM238344
(US9394275, I-13 | US9572802, Compound I-13 | US968...)Show SMILES C[C@@H](Cc1cccc(CC(=O)NCCCN(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 Show InChI InChI=1S/C47H56N6O7/c1-32(49-31-42(55)38-16-18-41(54)46-39(38)17-19-43(56)51-46)28-33-10-8-11-34(29-33)30-44(57)48-23-9-24-52(2)45(58)22-27-53-25-20-36(21-26-53)60-47(59)50-40-15-7-6-14-37(40)35-12-4-3-5-13-35/h3-8,10-19,29,32,36,42,49,54-55H,9,20-28,30-31H2,1-2H3,(H,48,57)(H,50,59)(H,51,56)/t32-,42-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance Respiratory Company, LLC
US Patent
| Assay Description
Radioligand binding assays for cloned muscarinic receptors were performed in 96-well microtiter plates in a total assay volume of 100 μL. CHO ce... |
US Patent US9682957 (2017)
BindingDB Entry DOI: 10.7270/Q23776WR |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM238344
(US9394275, I-13 | US9572802, Compound I-13 | US968...)Show SMILES C[C@@H](Cc1cccc(CC(=O)NCCCN(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 Show InChI InChI=1S/C47H56N6O7/c1-32(49-31-42(55)38-16-18-41(54)46-39(38)17-19-43(56)51-46)28-33-10-8-11-34(29-33)30-44(57)48-23-9-24-52(2)45(58)22-27-53-25-20-36(21-26-53)60-47(59)50-40-15-7-6-14-37(40)35-12-4-3-5-13-35/h3-8,10-19,29,32,36,42,49,54-55H,9,20-28,30-31H2,1-2H3,(H,48,57)(H,50,59)(H,51,56)/t32-,42-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance Respiratory Company LLC
US Patent
| Assay Description
compounds were performed with [3H]NMS at 1 nM and eleven different test compound concentrations. The test compounds were initially dissolved to a con... |
US Patent US9572802 (2017)
BindingDB Entry DOI: 10.7270/Q2VH5QWS |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM238344
(US9394275, I-13 | US9572802, Compound I-13 | US968...)Show SMILES C[C@@H](Cc1cccc(CC(=O)NCCCN(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 Show InChI InChI=1S/C47H56N6O7/c1-32(49-31-42(55)38-16-18-41(54)46-39(38)17-19-43(56)51-46)28-33-10-8-11-34(29-33)30-44(57)48-23-9-24-52(2)45(58)22-27-53-25-20-36(21-26-53)60-47(59)50-40-15-7-6-14-37(40)35-12-4-3-5-13-35/h3-8,10-19,29,32,36,42,49,54-55H,9,20-28,30-31H2,1-2H3,(H,48,57)(H,50,59)(H,51,56)/t32-,42-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | 25 |
Theravance Respiratory Company, LLC
US Patent
| Assay Description
cAMP assays were performed in a radioimmunoassay format using the Flashplate Adenylyl Cyclase Activation Assay System with [125I]-cAMP (NEN SMP004, P... |
US Patent US9682957 (2017)
BindingDB Entry DOI: 10.7270/Q23776WR |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM238344
(US9394275, I-13 | US9572802, Compound I-13 | US968...)Show SMILES C[C@@H](Cc1cccc(CC(=O)NCCCN(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 Show InChI InChI=1S/C47H56N6O7/c1-32(49-31-42(55)38-16-18-41(54)46-39(38)17-19-43(56)51-46)28-33-10-8-11-34(29-33)30-44(57)48-23-9-24-52(2)45(58)22-27-53-25-20-36(21-26-53)60-47(59)50-40-15-7-6-14-37(40)35-12-4-3-5-13-35/h3-8,10-19,29,32,36,42,49,54-55H,9,20-28,30-31H2,1-2H3,(H,48,57)(H,50,59)(H,51,56)/t32-,42-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | 37 |
Theravance Respiratory Company, LLC
US Patent
| Assay Description
cAMP assays were performed in a radioimmunoassay format using the Flashplate Adenylyl Cyclase Activation Assay System with [125I]-cAMP (NEN SMP004, P... |
US Patent US9394275 (2016)
BindingDB Entry DOI: 10.7270/Q2NS0SS8 |
More data for this
Ligand-Target Pair | |