Found 2990 hits with Last Name = 'yen' and Initial = 'r' 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 |
|---|
Cathepsin K
(Homo sapiens (Human)) | BDBM50167296
((1S)-2-cyclohexyl-1-methylethyl 2-cyano-2-ethylhyd...)Show InChI InChI=1S/C13H23N3O2/c1-3-16(10-14)15-13(17)18-11(2)9-12-7-5-4-6-8-12/h11-12H,3-9H2,1-2H3,(H,15,17)/t11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.00300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Phe-Arg-AMC |
Bioorg Med Chem Lett 15: 3039-43 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.032
BindingDB Entry DOI: 10.7270/Q2MS3S8C |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50167295
((1S)-2-cyclohexyl-1-methylethyl 2-cyano-2-propylhy...)Show InChI InChI=1S/C14H25N3O2/c1-3-9-17(11-15)16-14(18)19-12(2)10-13-7-5-4-6-8-13/h12-13H,3-10H2,1-2H3,(H,16,18)/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.00400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Phe-Arg-AMC |
Bioorg Med Chem Lett 15: 3039-43 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.032
BindingDB Entry DOI: 10.7270/Q2MS3S8C |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50167302
((1S)-2-cyclohexyl-1-methylethyl 2-cyano-2-isobutyl...)Show InChI InChI=1S/C15H27N3O2/c1-12(2)10-18(11-16)17-15(19)20-13(3)9-14-7-5-4-6-8-14/h12-14H,4-10H2,1-3H3,(H,17,19)/t13-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.00400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Phe-Arg-AMC |
Bioorg Med Chem Lett 15: 3039-43 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.032
BindingDB Entry DOI: 10.7270/Q2MS3S8C |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50167298
((1S)-2-cyclohexyl-1-methylethyl 2-benzyl-2-cyanohy...)Show InChI InChI=1S/C18H25N3O2/c1-15(12-16-8-4-2-5-9-16)23-18(22)20-21(14-19)13-17-10-6-3-7-11-17/h3,6-7,10-11,15-16H,2,4-5,8-9,12-13H2,1H3,(H,20,22)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.00600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Phe-Arg-AMC |
Bioorg Med Chem Lett 15: 3039-43 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.032
BindingDB Entry DOI: 10.7270/Q2MS3S8C |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50167303
((1S)-2-cyclohexyl-1-methylethyl 2-butyl-2-cyanohyd...)Show InChI InChI=1S/C15H27N3O2/c1-3-4-10-18(12-16)17-15(19)20-13(2)11-14-8-6-5-7-9-14/h13-14H,3-11H2,1-2H3,(H,17,19)/t13-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.00700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Phe-Arg-AMC |
Bioorg Med Chem Lett 15: 3039-43 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.032
BindingDB Entry DOI: 10.7270/Q2MS3S8C |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50167289
((1S)-2-cyclohexyl-1-methylethyl 2-cyano-2-methylhy...)Show InChI InChI=1S/C12H21N3O2/c1-10(8-11-6-4-3-5-7-11)17-12(16)14-15(2)9-13/h10-11H,3-8H2,1-2H3,(H,14,16)/t10-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.00900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Phe-Arg-AMC |
Bioorg Med Chem Lett 15: 3039-43 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.032
BindingDB Entry DOI: 10.7270/Q2MS3S8C |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50167290
((1S)-2-cyclohexyl-1-methylethyl 2-cyano-2-isopropy...)Show InChI InChI=1S/C14H25N3O2/c1-11(2)17(10-15)16-14(18)19-12(3)9-13-7-5-4-6-8-13/h11-13H,4-9H2,1-3H3,(H,16,18)/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Phe-Arg-AMC |
Bioorg Med Chem Lett 15: 3039-43 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.032
BindingDB Entry DOI: 10.7270/Q2MS3S8C |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50167289
((1S)-2-cyclohexyl-1-methylethyl 2-cyano-2-methylhy...)Show InChI InChI=1S/C12H21N3O2/c1-10(8-11-6-4-3-5-7-11)17-12(16)14-15(2)9-13/h10-11H,3-8H2,1-2H3,(H,14,16)/t10-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition constant against human cathepsin L using Cbz-Phe-Arg-AMC |
Bioorg Med Chem Lett 15: 3039-43 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.032
BindingDB Entry DOI: 10.7270/Q2MS3S8C |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50167288
((1S)-1-benzylpropyl 2-cyano-2-methylhydrazinecarbo...)Show InChI InChI=1S/C13H17N3O2/c1-3-12(9-11-7-5-4-6-8-11)18-13(17)15-16(2)10-14/h4-8,12H,3,9H2,1-2H3,(H,15,17)/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.0320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Phe-Arg-AMC |
Bioorg Med Chem Lett 15: 3039-43 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.032
BindingDB Entry DOI: 10.7270/Q2MS3S8C |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50167288
((1S)-1-benzylpropyl 2-cyano-2-methylhydrazinecarbo...)Show InChI InChI=1S/C13H17N3O2/c1-3-12(9-11-7-5-4-6-8-11)18-13(17)15-16(2)10-14/h4-8,12H,3,9H2,1-2H3,(H,15,17)/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.0360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition constant against human cathepsin L using Cbz-Phe-Arg-AMC |
Bioorg Med Chem Lett 15: 3039-43 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.032
BindingDB Entry DOI: 10.7270/Q2MS3S8C |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Rattus norvegicus) | BDBM50167288
((1S)-1-benzylpropyl 2-cyano-2-methylhydrazinecarbo...)Show InChI InChI=1S/C13H17N3O2/c1-3-12(9-11-7-5-4-6-8-11)18-13(17)15-16(2)10-14/h4-8,12H,3,9H2,1-2H3,(H,15,17)/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.0720 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition constant against rat cathepsin K |
Bioorg Med Chem Lett 15: 3039-43 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.032
BindingDB Entry DOI: 10.7270/Q2MS3S8C |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50167289
((1S)-2-cyclohexyl-1-methylethyl 2-cyano-2-methylhy...)Show InChI InChI=1S/C12H21N3O2/c1-10(8-11-6-4-3-5-7-11)17-12(16)14-15(2)9-13/h10-11H,3-8H2,1-2H3,(H,14,16)/t10-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0770 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition constant against human cathepsin B in fluorescence assay using Cbz-Phe-Arg-AMC |
Bioorg Med Chem Lett 15: 3039-43 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.032
BindingDB Entry DOI: 10.7270/Q2MS3S8C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM6363
(US8816088, 7)Show SMILES CN(CCCC(=O)Nc1cccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C44H50N6O7/c1-49(42(55)22-26-50-24-20-33(21-25-50)57-44(56)47-37-14-6-5-13-34(37)31-10-3-2-4-11-31)23-8-15-40(53)46-32-12-7-9-30(27-32)28-45-29-39(52)35-16-18-38(51)43-36(35)17-19-41(54)48-43/h2-7,9-14,16-19,27,33,39,45,51-52H,8,15,20-26,28-29H2,1H3,(H,46,53)(H,47,56)(H,48,54)/t39-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| 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 uL. CHO cell me... |
US Patent US8816088 (2014)
BindingDB Entry DOI: 10.7270/Q2TQ6068 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM6382
(US8816088, 13)Show SMILES C[C@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)c1cccc(CC(=O)NCCCN(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1 |r| Show InChI InChI=1S/C46H54N6O7/c1-31(48-30-41(54)37-16-18-40(53)45-38(37)17-19-42(55)50-45)34-13-8-10-32(28-34)29-43(56)47-23-9-24-51(2)44(57)22-27-52-25-20-35(21-26-52)59-46(58)49-39-15-7-6-14-36(39)33-11-4-3-5-12-33/h3-8,10-19,28,31,35,41,48,53-54H,9,20-27,29-30H2,1-2H3,(H,47,56)(H,49,58)(H,50,55)/t31-,41-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| 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 uL. CHO cell me... |
US Patent US8816088 (2014)
BindingDB Entry DOI: 10.7270/Q2TQ6068 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM6384
(US8551978, I-14 | US8816088, 14 | US8816088, I-15 ...)Show SMILES CN(CCCCC(=O)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C45H52N6O7/c1-50(43(56)24-28-51-26-22-34(23-27-51)58-45(57)48-38-12-6-5-11-35(38)32-9-3-2-4-10-32)25-8-7-13-41(54)47-33-16-14-31(15-17-33)29-46-30-40(53)36-18-20-39(52)44-37(36)19-21-42(55)49-44/h2-6,9-12,14-21,34,40,46,52-53H,7-8,13,22-30H2,1H3,(H,47,54)(H,48,57)(H,49,55)/t40-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| 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 uL. CHO cell me... |
US Patent US8816088 (2014)
BindingDB Entry DOI: 10.7270/Q2TQ6068 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM6387
(US8816088, 18 | US9394275, I-18 | US9572802, Compo...)Show SMILES CN(CCCCC(=O)Nc1cc(C)c(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1C)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C47H56N6O7/c1-31-28-40(32(2)27-34(31)29-48-30-42(55)37-16-18-41(54)46-38(37)17-19-44(57)51-46)49-43(56)15-9-10-23-52(3)45(58)22-26-53-24-20-35(21-25-53)60-47(59)50-39-14-8-7-13-36(39)33-11-5-4-6-12-33/h4-8,11-14,16-19,27-28,35,42,48,54-55H,9-10,15,20-26,29-30H2,1-3H3,(H,49,56)(H,50,59)(H,51,57)/t42-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| 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 uL. CHO cell me... |
US Patent US8816088 (2014)
BindingDB Entry DOI: 10.7270/Q2TQ6068 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM6427
(US8551978, I-25 | US8816088, 25 | US9572802, Compo...)Show SMILES CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(c1)C(=O)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 |r| Show InChI InChI=1S/C47H48N6O7/c1-52(44(57)24-27-53-25-22-36(23-26-53)60-47(59)50-40-13-6-5-12-37(40)32-8-3-2-4-9-32)35-11-7-10-33(28-35)46(58)49-34-16-14-31(15-17-34)29-48-30-42(55)38-18-20-41(54)45-39(38)19-21-43(56)51-45/h2-21,28,36,42,48,54-55H,22-27,29-30H2,1H3,(H,49,58)(H,50,59)(H,51,56)/t42-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| 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 uL. CHO cell me... |
US Patent US8816088 (2014)
BindingDB Entry DOI: 10.7270/Q2TQ6068 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM6449
(US8551978, I-87 | US8816088, 87 | US9394275, I-7 |...)Show SMILES C[C@H](Cc1cccc(CCNC(=O)Cc2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C52H58N6O7/c1-35(54-34-47(60)43-19-21-46(59)51-44(43)20-22-48(61)56-51)31-38-10-8-9-36(32-38)23-27-53-49(62)33-37-15-17-40(18-16-37)57(2)50(63)26-30-58-28-24-41(25-29-58)65-52(64)55-45-14-7-6-13-42(45)39-11-4-3-5-12-39/h3-22,32,35,41,47,54,59-60H,23-31,33-34H2,1-2H3,(H,53,62)(H,55,64)(H,56,61)/t35-,47+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| 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 uL. CHO cell me... |
US Patent US8816088 (2014)
BindingDB Entry DOI: 10.7270/Q2TQ6068 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM6427
(US8551978, I-25 | US8816088, 25 | US9572802, Compo...)Show SMILES CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(c1)C(=O)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 |r| Show InChI InChI=1S/C47H48N6O7/c1-52(44(57)24-27-53-25-22-36(23-26-53)60-47(59)50-40-13-6-5-12-37(40)32-8-3-2-4-9-32)35-11-7-10-33(28-35)46(58)49-34-16-14-31(15-17-34)29-48-30-42(55)38-18-20-41(54)45-39(38)19-21-43(56)51-45/h2-21,28,36,42,48,54-55H,22-27,29-30H2,1H3,(H,49,58)(H,50,59)(H,51,56)/t42-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
US Patent
| Assay Description
Radioligand binding assay using muscarinic receptors. |
US Patent US8551978 (2013)
BindingDB Entry DOI: 10.7270/Q2Q81BPC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM6449
(US8551978, I-87 | US8816088, 87 | US9394275, I-7 |...)Show SMILES C[C@H](Cc1cccc(CCNC(=O)Cc2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C52H58N6O7/c1-35(54-34-47(60)43-19-21-46(59)51-44(43)20-22-48(61)56-51)31-38-10-8-9-36(32-38)23-27-53-49(62)33-37-15-17-40(18-16-37)57(2)50(63)26-30-58-28-24-41(25-29-58)65-52(64)55-45-14-7-6-13-42(45)39-11-4-3-5-12-39/h3-22,32,35,41,47,54,59-60H,23-31,33-34H2,1-2H3,(H,53,62)(H,55,64)(H,56,61)/t35-,47+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
US Patent
| Assay Description
Radioligand binding assay using muscarinic receptors. |
US Patent US8551978 (2013)
BindingDB Entry DOI: 10.7270/Q2Q81BPC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM6354
(US8551978, I-1 | US8816088, 1 | US9394275, I-1 | U...)Show SMILES CN(CCCC(=O)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C44H50N6O7/c1-49(42(55)23-27-50-25-21-33(22-26-50)57-44(56)47-37-11-6-5-10-34(37)31-8-3-2-4-9-31)24-7-12-40(53)46-32-15-13-30(14-16-32)28-45-29-39(52)35-17-19-38(51)43-36(35)18-20-41(54)48-43/h2-6,8-11,13-20,33,39,45,51-52H,7,12,21-29H2,1H3,(H,46,53)(H,47,56)(H,48,54)/t39-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
Similars
| US Patent
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
US Patent
| Assay Description
Radioligand binding assay using muscarinic receptors. |
US Patent US8551978 (2013)
BindingDB Entry DOI: 10.7270/Q2Q81BPC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM38242
(US8551978, I-7 | US8551978, I-8 | US9394275, I-8 |...)Show SMILES CN(CCCC(=O)Nc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C45H52N6O7/c1-50(43(56)24-29-51-27-22-34(23-28-51)58-45(57)48-38-11-6-5-10-35(38)32-8-3-2-4-9-32)26-7-12-41(54)47-33-15-13-31(14-16-33)21-25-46-30-40(53)36-17-19-39(52)44-37(36)18-20-42(55)49-44/h2-6,8-11,13-20,34,40,46,52-53H,7,12,21-30H2,1H3,(H,47,54)(H,48,57)(H,49,55)/t40-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
Similars
| US Patent
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
US Patent
| Assay Description
Radioligand binding assay using muscarinic receptors. |
US Patent US8551978 (2013)
BindingDB Entry DOI: 10.7270/Q2Q81BPC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM38243
(US8551978, I-13)Show SMILES C[C@@H](Cc1ccc(NC(=O)CCCN(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C46H54N6O7/c1-31(47-30-41(54)37-18-20-40(53)45-38(37)19-21-43(56)50-45)29-32-14-16-34(17-15-32)48-42(55)13-8-25-51(2)44(57)24-28-52-26-22-35(23-27-52)59-46(58)49-39-12-7-6-11-36(39)33-9-4-3-5-10-33/h3-7,9-12,14-21,31,35,41,47,53-54H,8,13,22-30H2,1-2H3,(H,48,55)(H,49,58)(H,50,56)/t31-,41-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
US Patent
| Assay Description
Radioligand binding assay using muscarinic receptors. |
US Patent US8551978 (2013)
BindingDB Entry DOI: 10.7270/Q2Q81BPC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM6384
(US8551978, I-14 | US8816088, 14 | US8816088, I-15 ...)Show SMILES CN(CCCCC(=O)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C45H52N6O7/c1-50(43(56)24-28-51-26-22-34(23-27-51)58-45(57)48-38-12-6-5-11-35(38)32-9-3-2-4-10-32)25-8-7-13-41(54)47-33-16-14-31(15-17-33)29-46-30-40(53)36-18-20-39(52)44-37(36)19-21-42(55)49-44/h2-6,9-12,14-21,34,40,46,52-53H,7-8,13,22-30H2,1H3,(H,47,54)(H,48,57)(H,49,55)/t40-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
US Patent
| Assay Description
Radioligand binding assay using muscarinic receptors. |
US Patent US8551978 (2013)
BindingDB Entry DOI: 10.7270/Q2Q81BPC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM103738
(US8551978, I-2 | US8816088, I-2 | US9394275, I-2 |...)Show SMILES CN(CCCC(=O)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1C)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C45H52N6O7/c1-30-27-31(28-46-29-40(53)35-15-18-39(52)44-36(35)16-19-42(55)49-44)14-17-37(30)47-41(54)13-8-23-50(2)43(56)22-26-51-24-20-33(21-25-51)58-45(57)48-38-12-7-6-11-34(38)32-9-4-3-5-10-32/h3-7,9-12,14-19,27,33,40,46,52-53H,8,13,20-26,28-29H2,1-2H3,(H,47,54)(H,48,57)(H,49,55)/t40-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
US Patent
| Assay Description
Radioligand binding assay using muscarinic receptors. |
US Patent US8551978 (2013)
BindingDB Entry DOI: 10.7270/Q2Q81BPC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM103739
(US8551978, I-3 | US8816088, I-3 | US9394275, I-3 |...)Show SMILES COc1cc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1NC(=O)CCCN(C)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C45H52N6O8/c1-50(43(56)22-26-51-24-20-32(21-25-51)59-45(57)48-36-12-7-6-11-33(36)31-9-4-3-5-10-31)23-8-13-41(54)47-37-17-14-30(27-40(37)58-2)28-46-29-39(53)34-15-18-38(52)44-35(34)16-19-42(55)49-44/h3-7,9-12,14-19,27,32,39,46,52-53H,8,13,20-26,28-29H2,1-2H3,(H,47,54)(H,48,57)(H,49,55)/t39-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
US Patent
| Assay Description
Radioligand binding assay using muscarinic receptors. |
US Patent US8551978 (2013)
BindingDB Entry DOI: 10.7270/Q2Q81BPC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM103740
(US8551978, 266 | US8816088, I-4 | US9394275, I-4 |...)Show SMILES COc1cc(NC(=O)CCCN(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)ccc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C45H52N6O8/c1-50(43(56)22-26-51-24-20-33(21-25-51)59-45(57)48-37-12-7-6-11-34(37)30-9-4-3-5-10-30)23-8-13-41(54)47-32-15-14-31(40(27-32)58-2)28-46-29-39(53)35-16-18-38(52)44-36(35)17-19-42(55)49-44/h3-7,9-12,14-19,27,33,39,46,52-53H,8,13,20-26,28-29H2,1-2H3,(H,47,54)(H,48,57)(H,49,55)/t39-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
US Patent
| Assay Description
Radioligand binding assay using muscarinic receptors. |
US Patent US8551978 (2013)
BindingDB Entry DOI: 10.7270/Q2Q81BPC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM103741
(US8551978, I-5 | US8816088, I-5 | US9394275, I-5 |...)Show SMILES CN(CCCC(=O)Nc1cc(C)c(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1C)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C46H54N6O7/c1-30-27-39(31(2)26-33(30)28-47-29-41(54)36-15-17-40(53)45-37(36)16-18-43(56)50-45)48-42(55)14-9-22-51(3)44(57)21-25-52-23-19-34(20-24-52)59-46(58)49-38-13-8-7-12-35(38)32-10-5-4-6-11-32/h4-8,10-13,15-18,26-27,34,41,47,53-54H,9,14,19-25,28-29H2,1-3H3,(H,48,55)(H,49,58)(H,50,56)/t41-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
US Patent
| Assay Description
Radioligand binding assay using muscarinic receptors. |
US Patent US8551978 (2013)
BindingDB Entry DOI: 10.7270/Q2Q81BPC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM103742
(US8551978, I-6 | US8816088, I-6 | US9394275, I-6 |...)Show SMILES COc1cc(NC(=O)CCCN(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C45H51ClN6O8/c1-51(43(57)20-24-52-22-18-31(19-23-52)60-45(58)49-36-12-7-6-11-32(36)29-9-4-3-5-10-29)21-8-13-41(55)48-37-26-40(59-2)30(25-35(37)46)27-47-28-39(54)33-14-16-38(53)44-34(33)15-17-42(56)50-44/h3-7,9-12,14-17,25-26,31,39,47,53-54H,8,13,18-24,27-28H2,1-2H3,(H,48,55)(H,49,58)(H,50,56)/t39-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
US Patent
| Assay Description
Radioligand binding assay using muscarinic receptors. |
US Patent US8551978 (2013)
BindingDB Entry DOI: 10.7270/Q2Q81BPC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM38242
(US8551978, I-7 | US8551978, I-8 | US9394275, I-8 |...)Show SMILES CN(CCCC(=O)Nc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C45H52N6O7/c1-50(43(56)24-29-51-27-22-34(23-28-51)58-45(57)48-38-11-6-5-10-35(38)32-8-3-2-4-9-32)26-7-12-41(54)47-33-15-13-31(14-16-33)21-25-46-30-40(53)36-17-19-39(52)44-37(36)18-20-42(55)49-44/h2-6,8-11,13-20,34,40,46,52-53H,7,12,21-30H2,1H3,(H,47,54)(H,48,57)(H,49,55)/t40-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
US Patent
| Assay Description
Radioligand binding assay using muscarinic receptors. |
US Patent US8551978 (2013)
BindingDB Entry DOI: 10.7270/Q2Q81BPC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM103744
(US8551978, I-9 | US8816088, I-9 | US9394275, I-9 |...)Show SMILES COc1ccc(NC(=O)CCCN(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C46H54N6O8/c1-51(44(57)23-28-52-26-21-34(22-27-52)60-46(58)49-38-12-7-6-11-35(38)31-9-4-3-5-10-31)25-8-13-42(55)48-33-14-18-41(59-2)32(29-33)20-24-47-30-40(54)36-15-17-39(53)45-37(36)16-19-43(56)50-45/h3-7,9-12,14-19,29,34,40,47,53-54H,8,13,20-28,30H2,1-2H3,(H,48,55)(H,49,58)(H,50,56)/t40-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
US Patent
| Assay Description
Radioligand binding assay using muscarinic receptors. |
US Patent US8551978 (2013)
BindingDB Entry DOI: 10.7270/Q2Q81BPC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM103745
(US8551978, I-10 | US8816088, I-10 | US9394275, I-1...)Show SMILES CC(Cc1cccc(NC(=O)CCCN(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C46H54N6O7/c1-31(47-30-41(54)37-17-19-40(53)45-38(37)18-20-43(56)50-45)28-32-10-8-13-34(29-32)48-42(55)16-9-24-51(2)44(57)23-27-52-25-21-35(22-26-52)59-46(58)49-39-15-7-6-14-36(39)33-11-4-3-5-12-33/h3-8,10-15,17-20,29,31,35,41,47,53-54H,9,16,21-28,30H2,1-2H3,(H,48,55)(H,49,58)(H,50,56)/t31?,41-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
US Patent
| Assay Description
Radioligand binding assay using muscarinic receptors. |
US Patent US8551978 (2013)
BindingDB Entry DOI: 10.7270/Q2Q81BPC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM103746
(US8551978, I-11 | US8816088, I-11 | US9394275, I-1...)Show SMILES CC(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 |r| 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
Similars
| US Patent
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
US Patent
| Assay Description
Radioligand binding assay using muscarinic receptors. |
US Patent US8551978 (2013)
BindingDB Entry DOI: 10.7270/Q2Q81BPC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM103747
(US8551978, I-12 | US8816088, I-12 | US9394275, I-1...)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 |r| 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+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
US Patent
| Assay Description
Radioligand binding assay using muscarinic receptors. |
US Patent US8551978 (2013)
BindingDB Entry DOI: 10.7270/Q2Q81BPC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM103748
(US8551978, I-15 | US9394275, I-15 | US9572802, Com...)Show SMILES CN(CCCCC(=O)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1C)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C46H54N6O7/c1-31-28-32(29-47-30-41(54)36-16-19-40(53)45-37(36)17-20-43(56)50-45)15-18-38(31)48-42(55)14-8-9-24-51(2)44(57)23-27-52-25-21-34(22-26-52)59-46(58)49-39-13-7-6-12-35(39)33-10-4-3-5-11-33/h3-7,10-13,15-20,28,34,41,47,53-54H,8-9,14,21-27,29-30H2,1-2H3,(H,48,55)(H,49,58)(H,50,56)/t41-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
US Patent
| Assay Description
Radioligand binding assay using muscarinic receptors. |
US Patent US8551978 (2013)
BindingDB Entry DOI: 10.7270/Q2Q81BPC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM103749
(US8551978, I-16 | US8816088, I-16 | US9394275, I-1...)Show SMILES COc1cc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1NC(=O)CCCCN(C)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C46H54N6O8/c1-51(44(57)23-27-52-25-21-33(22-26-52)60-46(58)49-37-13-7-6-12-34(37)32-10-4-3-5-11-32)24-9-8-14-42(55)48-38-18-15-31(28-41(38)59-2)29-47-30-40(54)35-16-19-39(53)45-36(35)17-20-43(56)50-45/h3-7,10-13,15-20,28,33,40,47,53-54H,8-9,14,21-27,29-30H2,1-2H3,(H,48,55)(H,49,58)(H,50,56)/t40-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
US Patent
| Assay Description
Radioligand binding assay using muscarinic receptors. |
US Patent US8551978 (2013)
BindingDB Entry DOI: 10.7270/Q2Q81BPC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM103750
(US8551978, I-17 | US8816088, I-17 | US9394275, I-1...)Show SMILES COc1cc(NC(=O)CCCCN(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)ccc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C46H54N6O8/c1-51(44(57)23-27-52-25-21-34(22-26-52)60-46(58)49-38-13-7-6-12-35(38)31-10-4-3-5-11-31)24-9-8-14-42(55)48-33-16-15-32(41(28-33)59-2)29-47-30-40(54)36-17-19-39(53)45-37(36)18-20-43(56)50-45/h3-7,10-13,15-20,28,34,40,47,53-54H,8-9,14,21-27,29-30H2,1-2H3,(H,48,55)(H,49,58)(H,50,56)/t40-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
US Patent
| Assay Description
Radioligand binding assay using muscarinic receptors. |
US Patent US8551978 (2013)
BindingDB Entry DOI: 10.7270/Q2Q81BPC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM103751
(US8551978, I-19 | US8816088, I-19 | US9394275, I-1...)Show SMILES COc1cc(NC(=O)CCCCN(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C46H53ClN6O8/c1-52(44(58)21-25-53-23-19-32(20-24-53)61-46(59)50-37-13-7-6-12-33(37)30-10-4-3-5-11-30)22-9-8-14-42(56)49-38-27-41(60-2)31(26-36(38)47)28-48-29-40(55)34-15-17-39(54)45-35(34)16-18-43(57)51-45/h3-7,10-13,15-18,26-27,32,40,48,54-55H,8-9,14,19-25,28-29H2,1-2H3,(H,49,56)(H,50,59)(H,51,57)/t40-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
US Patent
| Assay Description
Radioligand binding assay using muscarinic receptors. |
US Patent US8551978 (2013)
BindingDB Entry DOI: 10.7270/Q2Q81BPC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM103752
(US8551978, I-20 | US8816088, I-20 | US9394275, I-2...)Show SMILES CN(CCCCC(=O)Nc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C46H54N6O7/c1-51(44(57)24-29-52-27-22-35(23-28-52)59-46(58)49-39-15-6-5-14-36(39)33-11-3-2-4-12-33)26-8-7-16-42(55)48-34-13-9-10-32(30-34)21-25-47-31-41(54)37-17-19-40(53)45-38(37)18-20-43(56)50-45/h2-6,9-15,17-20,30,35,41,47,53-54H,7-8,16,21-29,31H2,1H3,(H,48,55)(H,49,58)(H,50,56)/t41-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
US Patent
| Assay Description
Radioligand binding assay using muscarinic receptors. |
US Patent US8551978 (2013)
BindingDB Entry DOI: 10.7270/Q2Q81BPC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM103753
(US8551978, I-21 | US8816088, I-21 | US9394275, I-2...)Show SMILES CN(CCCCC(=O)Nc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C46H54N6O7/c1-51(44(57)25-30-52-28-23-35(24-29-52)59-46(58)49-39-12-6-5-11-36(39)33-9-3-2-4-10-33)27-8-7-13-42(55)48-34-16-14-32(15-17-34)22-26-47-31-41(54)37-18-20-40(53)45-38(37)19-21-43(56)50-45/h2-6,9-12,14-21,35,41,47,53-54H,7-8,13,22-31H2,1H3,(H,48,55)(H,49,58)(H,50,56)/t41-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
US Patent
| Assay Description
Radioligand binding assay using muscarinic receptors. |
US Patent US8551978 (2013)
BindingDB Entry DOI: 10.7270/Q2Q81BPC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM103754
(US8551978, I-22 | US8816088, I-22 | US9394275, I-2...)Show SMILES CC(Cc1cccc(CC(=O)NCCCCN(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C48H58N6O7/c1-33(50-32-43(56)39-17-19-42(55)47-40(39)18-20-44(57)52-47)29-34-11-10-12-35(30-34)31-45(58)49-24-8-9-25-53(2)46(59)23-28-54-26-21-37(22-27-54)61-48(60)51-41-16-7-6-15-38(41)36-13-4-3-5-14-36/h3-7,10-20,30,33,37,43,50,55-56H,8-9,21-29,31-32H2,1-2H3,(H,49,58)(H,51,60)(H,52,57)/t33?,43-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
US Patent
| Assay Description
Radioligand binding assay using muscarinic receptors. |
US Patent US8551978 (2013)
BindingDB Entry DOI: 10.7270/Q2Q81BPC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM103755
(US8551978, I-23 | US8816088, I-23 | US9394275, I-2...)Show SMILES C[C@H](Cc1cccc(CC(=O)NCCCCN(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C48H58N6O7/c1-33(50-32-43(56)39-17-19-42(55)47-40(39)18-20-44(57)52-47)29-34-11-10-12-35(30-34)31-45(58)49-24-8-9-25-53(2)46(59)23-28-54-26-21-37(22-27-54)61-48(60)51-41-16-7-6-15-38(41)36-13-4-3-5-14-36/h3-7,10-20,30,33,37,43,50,55-56H,8-9,21-29,31-32H2,1-2H3,(H,49,58)(H,51,60)(H,52,57)/t33-,43+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
US Patent
| Assay Description
Radioligand binding assay using muscarinic receptors. |
US Patent US8551978 (2013)
BindingDB Entry DOI: 10.7270/Q2Q81BPC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM103758
(US8551978, I-27 | US8816088, I-27 | US9394275, I-2...)Show SMILES CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(c1)C(=O)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1C |r| Show InChI InChI=1S/C48H50N6O7/c1-31-27-32(29-49-30-43(56)38-16-19-42(55)46-39(38)17-20-44(57)52-46)15-18-40(31)50-47(59)34-11-8-12-35(28-34)53(2)45(58)23-26-54-24-21-36(22-25-54)61-48(60)51-41-14-7-6-13-37(41)33-9-4-3-5-10-33/h3-20,27-28,36,43,49,55-56H,21-26,29-30H2,1-2H3,(H,50,59)(H,51,60)(H,52,57)/t43-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
US Patent
| Assay Description
Radioligand binding assay using muscarinic receptors. |
US Patent US8551978 (2013)
BindingDB Entry DOI: 10.7270/Q2Q81BPC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM103756
(US8551978, I-24 | US8816088, I-24 | US9394275, I-2...)Show SMILES C[C@@H](Cc1cccc(CC(=O)NCCCCN(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C48H58N6O7/c1-33(50-32-43(56)39-17-19-42(55)47-40(39)18-20-44(57)52-47)29-34-11-10-12-35(30-34)31-45(58)49-24-8-9-25-53(2)46(59)23-28-54-26-21-37(22-27-54)61-48(60)51-41-16-7-6-15-38(41)36-13-4-3-5-14-36/h3-7,10-20,30,33,37,43,50,55-56H,8-9,21-29,31-32H2,1-2H3,(H,49,58)(H,51,60)(H,52,57)/t33-,43-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
US Patent
| Assay Description
Radioligand binding assay using muscarinic receptors. |
US Patent US8551978 (2013)
BindingDB Entry DOI: 10.7270/Q2Q81BPC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM103760
(US8551978, I-29 | US8816088, I-29 | US9394275, I-2...)Show SMILES COc1cc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1NC(=O)c1cccc(c1)N(C)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C48H50N6O8/c1-53(45(58)23-26-54-24-21-35(22-25-54)62-48(60)51-39-14-7-6-13-36(39)32-9-4-3-5-10-32)34-12-8-11-33(28-34)47(59)50-40-18-15-31(27-43(40)61-2)29-49-30-42(56)37-16-19-41(55)46-38(37)17-20-44(57)52-46/h3-20,27-28,35,42,49,55-56H,21-26,29-30H2,1-2H3,(H,50,59)(H,51,60)(H,52,57)/t42-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
US Patent
| Assay Description
Radioligand binding assay using muscarinic receptors. |
US Patent US8551978 (2013)
BindingDB Entry DOI: 10.7270/Q2Q81BPC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM103763
(US8551978, I-32 | US8816088, I-32 | US9394275, I-3...)Show SMILES CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(c1)C(=O)Nc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1 |r| Show InChI InChI=1S/C48H50N6O7/c1-53(45(58)24-28-54-26-22-37(23-27-54)61-48(60)51-41-16-6-5-15-38(41)33-10-3-2-4-11-33)36-14-8-12-34(30-36)47(59)50-35-13-7-9-32(29-35)21-25-49-31-43(56)39-17-19-42(55)46-40(39)18-20-44(57)52-46/h2-20,29-30,37,43,49,55-56H,21-28,31H2,1H3,(H,50,59)(H,51,60)(H,52,57)/t43-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
US Patent
| Assay Description
Radioligand binding assay using muscarinic receptors. |
US Patent US8551978 (2013)
BindingDB Entry DOI: 10.7270/Q2Q81BPC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM103765
(US8551978, I-34 | US8816088, I-34 | US9682957, I-3...)Show SMILES CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(c1)C(=O)Nc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 |r| Show InChI InChI=1S/C49H52N6O7/c1-32-12-15-35(48(60)51-36-16-13-33(14-17-36)22-26-50-31-44(57)39-18-20-43(56)47-40(39)19-21-45(58)53-47)30-42(32)54(2)46(59)25-29-55-27-23-37(24-28-55)62-49(61)52-41-11-7-6-10-38(41)34-8-4-3-5-9-34/h3-21,30,37,44,50,56-57H,22-29,31H2,1-2H3,(H,51,60)(H,52,61)(H,53,58)/t44-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
US Patent
| Assay Description
Radioligand binding assay using muscarinic receptors. |
US Patent US8551978 (2013)
BindingDB Entry DOI: 10.7270/Q2Q81BPC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM103770
(US8551978, I-40 | US8816088, I-40 | US9394275, I-4...)Show SMILES CC(Cc1ccc(NC(=O)c2cccc(c2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C49H52N6O7/c1-32(50-31-44(57)40-19-21-43(56)47-41(40)20-22-45(58)53-47)29-33-15-17-36(18-16-33)51-48(60)35-11-8-12-37(30-35)54(2)46(59)25-28-55-26-23-38(24-27-55)62-49(61)52-42-14-7-6-13-39(42)34-9-4-3-5-10-34/h3-22,30,32,38,44,50,56-57H,23-29,31H2,1-2H3,(H,51,60)(H,52,61)(H,53,58)/t32?,44-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
US Patent
| Assay Description
Radioligand binding assay using muscarinic receptors. |
US Patent US8551978 (2013)
BindingDB Entry DOI: 10.7270/Q2Q81BPC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM103773
(US8551978, I-43 | US8816088, I-43 | US9394275, I-4...)Show SMILES C[C@@H](Cc1ccc(NC(=O)c2cccc(c2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C49H52N6O7/c1-32(50-31-44(57)40-19-21-43(56)47-41(40)20-22-45(58)53-47)29-33-15-17-36(18-16-33)51-48(60)35-11-8-12-37(30-35)54(2)46(59)25-28-55-26-23-38(24-27-55)62-49(61)52-42-14-7-6-13-39(42)34-9-4-3-5-10-34/h3-22,30,32,38,44,50,56-57H,23-29,31H2,1-2H3,(H,51,60)(H,52,61)(H,53,58)/t32-,44-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
US Patent
| Assay Description
Radioligand binding assay using muscarinic receptors. |
US Patent US8551978 (2013)
BindingDB Entry DOI: 10.7270/Q2Q81BPC |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM103774
(US8551978, I-44 | US8816088, I-44 | US9394275, I-4...)Show SMILES CC(Cc1cccc(CNC(=O)c2cccc(c2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C50H54N6O7/c1-33(51-32-45(58)41-18-20-44(57)48-42(41)19-21-46(59)54-48)28-34-10-8-11-35(29-34)31-52-49(61)37-14-9-15-38(30-37)55(2)47(60)24-27-56-25-22-39(23-26-56)63-50(62)53-43-17-7-6-16-40(43)36-12-4-3-5-13-36/h3-21,29-30,33,39,45,51,57-58H,22-28,31-32H2,1-2H3,(H,52,61)(H,53,62)(H,54,59)/t33?,45-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
US Patent
| Assay Description
Radioligand binding assay using muscarinic receptors. |
US Patent US8551978 (2013)
BindingDB Entry DOI: 10.7270/Q2Q81BPC |
More data for this
Ligand-Target Pair | |
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