Found 915 hits with Last Name = 'takeuchi' and Initial = 'm' 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 |
|---|
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50083552
(1,9-di{4-[5-amino(imino)methylbenzo[b]furan-2-ylca...)Show SMILES NC(=N)c1ccc2oc(cc2c1)C(=O)N1CCN(CC1)C(=O)CCCCCCCC(=O)N1CCN(CC1)C(=O)c1cc2cc(ccc2o1)C(N)=N Show InChI InChI=1S/C37H44N8O6/c38-34(39)24-8-10-28-26(20-24)22-30(50-28)36(48)44-16-12-42(13-17-44)32(46)6-4-2-1-3-5-7-33(47)43-14-18-45(19-15-43)37(49)31-23-27-21-25(35(40)41)9-11-29(27)51-31/h8-11,20-23H,1-7,12-19H2,(H3,38,39)(H3,40,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.0190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yoshitomi Pharmaceutical Industries, LTD.
Curated by ChEMBL
| Assay Description
Inhibition of tryptase activity |
Bioorg Med Chem Lett 9: 3285-90 (2000)
BindingDB Entry DOI: 10.7270/Q2TX3DK3 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50021919
(CHEMBL3298595)Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ccsc1-c1ccccc1 Show InChI InChI=1S/C19H22N2O2S.HI/c1-21-11-8-19(9-12-21,10-13-21)23-18(22)20-16-7-14-24-17(16)15-5-3-2-4-6-15;/h2-7,14H,8-13H2,1H3;1H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular gland |
Bioorg Med Chem 22: 3478-87 (2014)
Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50021919
(CHEMBL3298595)Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ccsc1-c1ccccc1 Show InChI InChI=1S/C19H22N2O2S.HI/c1-21-11-8-19(9-12-21,10-13-21)23-18(22)20-16-7-14-24-17(16)15-5-3-2-4-6-15;/h2-7,14H,8-13H2,1H3;1H | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membrane |
Bioorg Med Chem 22: 3478-87 (2014)
Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50021919
(CHEMBL3298595)Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ccsc1-c1ccccc1 Show InChI InChI=1S/C19H22N2O2S.HI/c1-21-11-8-19(9-12-21,10-13-21)23-18(22)20-16-7-14-24-17(16)15-5-3-2-4-6-15;/h2-7,14H,8-13H2,1H3;1H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M2 receptor in heart |
Bioorg Med Chem 22: 3478-87 (2014)
Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00 |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50083561
(1-{4-[5-amino(imino)methylbenzo[b]thiophen-2-ylcar...)Show SMILES NC(=N)c1ccc2sc(cc2c1)C(=O)N1CCN(CC1)C(=O)COc1ccc(OCC(=O)N2CCN(CC2)C(=O)c2cc3cc(ccc3s2)C(N)=N)cc1 Show InChI InChI=1S/C38H38N8O6S2/c39-35(40)23-1-7-29-25(17-23)19-31(53-29)37(49)45-13-9-43(10-14-45)33(47)21-51-27-3-5-28(6-4-27)52-22-34(48)44-11-15-46(16-12-44)38(50)32-20-26-18-24(36(41)42)2-8-30(26)54-32/h1-8,17-20H,9-16,21-22H2,(H3,39,40)(H3,41,42) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 0.0280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yoshitomi Pharmaceutical Industries, LTD.
Curated by ChEMBL
| Assay Description
Inhibition of tryptase activity |
Bioorg Med Chem Lett 9: 3285-90 (2000)
BindingDB Entry DOI: 10.7270/Q2TX3DK3 |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50083556
(1-{4-[5-amino(imino)methylbenzo[b]furan-2-ylcarbon...)Show SMILES NC(=N)c1ccc2oc(cc2c1)C(=O)N1CCN(CC1)C(=O)CO[C@H]1CCC[C@H](CCC1)OCC(=O)N1CCN(CC1)C(=O)c1cc2cc(ccc2o1)C(N)=N Show InChI InChI=1S/C40H48N8O8/c41-37(42)25-7-9-31-27(19-25)21-33(55-31)39(51)47-15-11-45(12-16-47)35(49)23-53-29-3-1-4-30(6-2-5-29)54-24-36(50)46-13-17-48(18-14-46)40(52)34-22-28-20-26(38(43)44)8-10-32(28)56-34/h7-10,19-22,29-30H,1-6,11-18,23-24H2,(H3,41,42)(H3,43,44)/t29-,30+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 0.0290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yoshitomi Pharmaceutical Industries, LTD.
Curated by ChEMBL
| Assay Description
Inhibition of tryptase activity |
Bioorg Med Chem Lett 9: 3285-90 (2000)
BindingDB Entry DOI: 10.7270/Q2TX3DK3 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50021928
(CHEMBL3298599)Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1cccc(Cl)c1 Show InChI InChI=1S/C18H20ClN3O2S.HI/c1-22-8-5-18(6-9-22,7-10-22)24-17(23)21-16-15(25-12-20-16)13-3-2-4-14(19)11-13;/h2-4,11-12H,5-10H2,1H3;1H | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membrane |
Bioorg Med Chem 22: 3478-87 (2014)
Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00 |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50083541
(1-{4-[5-amino(imino)methyl-4,5,6,7-tetrahydrothien...)Show SMILES NC(=N)N1CCc2sc(cc2C1)C(=O)N1CCN(CC1)C(=O)COc1ccc(OCC(=O)N2CCN(CC2)C(=O)c2cc3CN(CCc3s2)C(N)=N)cc1 Show InChI InChI=1S/C36H44N10O6S2/c37-35(38)45-7-5-27-23(19-45)17-29(53-27)33(49)43-13-9-41(10-14-43)31(47)21-51-25-1-2-26(4-3-25)52-22-32(48)42-11-15-44(16-12-42)34(50)30-18-24-20-46(36(39)40)8-6-28(24)54-30/h1-4,17-18H,5-16,19-22H2,(H3,37,38)(H3,39,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.0460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yoshitomi Pharmaceutical Industries, LTD.
Curated by ChEMBL
| Assay Description
Inhibition of tryptase activity |
Bioorg Med Chem Lett 9: 3285-90 (2000)
BindingDB Entry DOI: 10.7270/Q2TX3DK3 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50021928
(CHEMBL3298599)Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1cccc(Cl)c1 Show InChI InChI=1S/C18H20ClN3O2S.HI/c1-22-8-5-18(6-9-22,7-10-22)24-17(23)21-16-15(25-12-20-16)13-3-2-4-14(19)11-13;/h2-4,11-12H,5-10H2,1H3;1H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular gland |
Bioorg Med Chem 22: 3478-87 (2014)
Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50021928
(CHEMBL3298599)Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1cccc(Cl)c1 Show InChI InChI=1S/C18H20ClN3O2S.HI/c1-22-8-5-18(6-9-22,7-10-22)24-17(23)21-16-15(25-12-20-16)13-3-2-4-14(19)11-13;/h2-4,11-12H,5-10H2,1H3;1H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M2 receptor in heart |
Bioorg Med Chem 22: 3478-87 (2014)
Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50021922
(CHEMBL3298596)Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1ccccc1 Show InChI InChI=1S/C18H21N3O2S.HI/c1-21-10-7-18(8-11-21,9-12-21)23-17(22)20-16-15(24-13-19-16)14-5-3-2-4-6-14;/h2-6,13H,7-12H2,1H3;1H | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membrane |
Bioorg Med Chem 22: 3478-87 (2014)
Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50021904
(CHEMBL3298588)Show InChI InChI=1S/C18H20N2O2S.ClH/c21-17(22-18-7-10-20(11-8-18)12-9-18)19-15-6-13-23-16(15)14-4-2-1-3-5-14;/h1-6,13H,7-12H2,(H,19,21);1H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular gland |
Bioorg Med Chem 22: 3478-87 (2014)
Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00 |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50083548
(1-{4-[5-amino(imino)methylbenzo[b]furan-2-ylcarbon...)Show SMILES NC(=N)c1ccc2oc(cc2c1)C(=O)N1CCN(CC1)C(=O)COc1ccc(OCC(=O)N2CCN(CC2)C(=O)c2cc3cc(ccc3o2)C(N)=N)cc1 Show InChI InChI=1S/C38H38N8O8/c39-35(40)23-1-7-29-25(17-23)19-31(53-29)37(49)45-13-9-43(10-14-45)33(47)21-51-27-3-5-28(6-4-27)52-22-34(48)44-11-15-46(16-12-44)38(50)32-20-26-18-24(36(41)42)2-8-30(26)54-32/h1-8,17-20H,9-16,21-22H2,(H3,39,40)(H3,41,42) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.0570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yoshitomi Pharmaceutical Industries, LTD.
Curated by ChEMBL
| Assay Description
Inhibition of tryptase activity |
Bioorg Med Chem Lett 9: 3285-90 (2000)
BindingDB Entry DOI: 10.7270/Q2TX3DK3 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50021922
(CHEMBL3298596)Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1ccccc1 Show InChI InChI=1S/C18H21N3O2S.HI/c1-21-10-7-18(8-11-21,9-12-21)23-17(22)20-16-15(24-13-19-16)14-5-3-2-4-6-14;/h2-6,13H,7-12H2,1H3;1H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular gland |
Bioorg Med Chem 22: 3478-87 (2014)
Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50021935
(CHEMBL3298600)Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1ccc(F)cc1 Show InChI InChI=1S/C18H20FN3O2S.HI/c1-22-9-6-18(7-10-22,8-11-22)24-17(23)21-16-15(25-12-20-16)13-2-4-14(19)5-3-13;/h2-5,12H,6-11H2,1H3;1H | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0730 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membrane |
Bioorg Med Chem 22: 3478-87 (2014)
Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50021904
(CHEMBL3298588)Show InChI InChI=1S/C18H20N2O2S.ClH/c21-17(22-18-7-10-20(11-8-18)12-9-18)19-15-6-13-23-16(15)14-4-2-1-3-5-14;/h1-6,13H,7-12H2,(H,19,21);1H | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membrane |
Bioorg Med Chem 22: 3478-87 (2014)
Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50021935
(CHEMBL3298600)Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1ccc(F)cc1 Show InChI InChI=1S/C18H20FN3O2S.HI/c1-22-9-6-18(7-10-22,8-11-22)24-17(23)21-16-15(25-12-20-16)13-2-4-14(19)5-3-13;/h2-5,12H,6-11H2,1H3;1H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular gland |
Bioorg Med Chem 22: 3478-87 (2014)
Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50021922
(CHEMBL3298596)Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1ccccc1 Show InChI InChI=1S/C18H21N3O2S.HI/c1-21-10-7-18(8-11-21,9-12-21)23-17(22)20-16-15(24-13-19-16)14-5-3-2-4-6-14;/h2-6,13H,7-12H2,1H3;1H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M2 receptor in heart |
Bioorg Med Chem 22: 3478-87 (2014)
Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50021938
(CHEMBL3298763)Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C18H19Cl2N3O2S.HI/c1-23-5-2-18(3-6-23,4-7-23)25-17(24)22-16-15(26-11-21-16)12-8-13(19)10-14(20)9-12;/h8-11H,2-7H2,1H3;1H | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membrane |
Bioorg Med Chem 22: 3478-87 (2014)
Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00 |
More data for this
Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50217306
(CHEMBL112049)Show SMILES NC(=N)c1ccc2oc(cc2c1)C(=O)N1CCN(CC1)C(=O)CCCCCCC(=O)N1CCN(CC1)C(=O)c1cc2cc(ccc2o1)C(N)=N Show InChI InChI=1S/C36H42N8O6/c37-33(38)23-7-9-27-25(19-23)21-29(49-27)35(47)43-15-11-41(12-16-43)31(45)5-3-1-2-4-6-32(46)42-13-17-44(18-14-42)36(48)30-22-26-20-24(34(39)40)8-10-28(26)50-30/h7-10,19-22H,1-6,11-18H2,(H3,37,38)(H3,39,40) | PDB
MMDB
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| 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yoshitomi Pharmaceutical Industries, LTD.
Curated by ChEMBL
| Assay Description
Inhibition of tryptase activity |
Bioorg Med Chem Lett 9: 3285-90 (2000)
BindingDB Entry DOI: 10.7270/Q2TX3DK3 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50021893
(CHEMBL3298333)Show InChI InChI=1S/C18H20N2O2S/c21-17(22-18-7-10-20(11-8-18)12-9-18)19-16-15(6-13-23-16)14-4-2-1-3-5-14/h1-6,13H,7-12H2,(H,19,21) | PDB
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| 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular gland |
Bioorg Med Chem 22: 3478-87 (2014)
Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50021938
(CHEMBL3298763)Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C18H19Cl2N3O2S.HI/c1-23-5-2-18(3-6-23,4-7-23)25-17(24)22-16-15(26-11-21-16)12-8-13(19)10-14(20)9-12;/h8-11H,2-7H2,1H3;1H | PDB
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| 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular gland |
Bioorg Med Chem 22: 3478-87 (2014)
Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50344285
(CHEMBL1779047 | quinuclidin-4-yl biphenyl-2-ylcarb...)Show InChI InChI=1S/C20H22N2O2/c23-19(24-20-10-13-22(14-11-20)15-12-20)21-18-9-5-4-8-17(18)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,21,23) | PDB
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| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular gland |
Bioorg Med Chem 22: 3478-87 (2014)
Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50296345
((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)Show SMILES C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1 |TLB:11:5:1:8.10| Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13-,16-,17+/m1/s1 | PDB
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| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M2 receptor in heart |
Bioorg Med Chem 22: 3478-87 (2014)
Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50296345
((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)Show SMILES C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1 |TLB:11:5:1:8.10| Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13-,16-,17+/m1/s1 | Reactome pathway
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| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membrane |
Bioorg Med Chem 22: 3478-87 (2014)
Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50021892
(Ipratropium Bromide)Show SMILES [Br-].[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)c1ccccc1)[N+]2(C)C(C)C |TLB:10:8:22:4.3,23:22:8.7.9:4.3,THB:24:22:8.7.9:4.3| Show InChI InChI=1S/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17+,18+,19?,21?; | PDB
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| 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular gland |
Bioorg Med Chem 22: 3478-87 (2014)
Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM144227
(US8952008, 4)Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1OC)S(=O)(=O)CC Show InChI InChI=1S/C22H21FN4O3S/c1-4-27-13-24-21-18(12-25-26-22(21)27)14-6-9-19(23)17(10-14)16-8-7-15(11-20(16)30-3)31(28,29)5-2/h6-13H,4-5H2,1-3H3 | UniProtKB/SwissProt
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| 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-flumazenil from human GABAA alpha1beta3gamma2 receptor expressed in HEK293 cell membranes measured after 2 hrs by liquid scintil... |
J Med Chem 62: 5773-5796 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00322
BindingDB Entry DOI: 10.7270/Q2HQ437D |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50021905
(CHEMBL3298589)Show SMILES Cl.O=C(Nc1ccsc1-c1ccccc1)O[C@H]1CN2CCC1CC2 |r,wD:16.16,(41.69,-11.32,;44.26,-6.71,;42.92,-7.48,;41.59,-6.7,;41.6,-5.16,;42.84,-4.27,;42.37,-2.81,;40.83,-2.8,;40.35,-4.27,;38.89,-4.74,;37.74,-3.7,;36.28,-4.18,;35.96,-5.69,;37.11,-6.72,;38.57,-6.24,;42.92,-9.02,;44.25,-9.79,;44.25,-11.32,;45.58,-12.1,;46.92,-11.33,;46.92,-9.78,;45.61,-9.01,;44.85,-10.35,;46.34,-10.75,)| Show InChI InChI=1S/C18H20N2O2S.ClH/c21-18(22-16-12-20-9-6-13(16)7-10-20)19-15-8-11-23-17(15)14-4-2-1-3-5-14;/h1-5,8,11,13,16H,6-7,9-10,12H2,(H,19,21);1H/t16-;/m0./s1 | PDB
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| 0.190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular gland |
Bioorg Med Chem 22: 3478-87 (2014)
Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50021905
(CHEMBL3298589)Show SMILES Cl.O=C(Nc1ccsc1-c1ccccc1)O[C@H]1CN2CCC1CC2 |r,wD:16.16,(41.69,-11.32,;44.26,-6.71,;42.92,-7.48,;41.59,-6.7,;41.6,-5.16,;42.84,-4.27,;42.37,-2.81,;40.83,-2.8,;40.35,-4.27,;38.89,-4.74,;37.74,-3.7,;36.28,-4.18,;35.96,-5.69,;37.11,-6.72,;38.57,-6.24,;42.92,-9.02,;44.25,-9.79,;44.25,-11.32,;45.58,-12.1,;46.92,-11.33,;46.92,-9.78,;45.61,-9.01,;44.85,-10.35,;46.34,-10.75,)| Show InChI InChI=1S/C18H20N2O2S.ClH/c21-18(22-16-12-20-9-6-13(16)7-10-20)19-15-8-11-23-17(15)14-4-2-1-3-5-14;/h1-5,8,11,13,16H,6-7,9-10,12H2,(H,19,21);1H/t16-;/m0./s1 | Reactome pathway
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| 0.190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membrane |
Bioorg Med Chem 22: 3478-87 (2014)
Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50021909
(CHEMBL3298591)Show InChI InChI=1S/C17H19N3O2S/c21-16(22-17-6-9-20(10-7-17)11-8-17)19-15-14(23-12-18-15)13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,19,21) | PDB
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| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular gland |
Bioorg Med Chem 22: 3478-87 (2014)
Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50021901
(CHEMBL3298334)Show InChI InChI=1S/C18H20N2O2S.ClH/c21-17(22-18-6-9-20(10-7-18)11-8-18)19-16-13-23-12-15(16)14-4-2-1-3-5-14;/h1-5,12-13H,6-11H2,(H,19,21);1H | PDB
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| 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular gland |
Bioorg Med Chem 22: 3478-87 (2014)
Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50021935
(CHEMBL3298600)Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1ccc(F)cc1 Show InChI InChI=1S/C18H20FN3O2S.HI/c1-22-9-6-18(7-10-22,8-11-22)24-17(23)21-16-15(25-12-20-16)13-2-4-14(19)5-3-13;/h2-5,12H,6-11H2,1H3;1H | PDB
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| 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M2 receptor in heart |
Bioorg Med Chem 22: 3478-87 (2014)
Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50021926
(CHEMBL3298598)Show SMILES C[N+]12CCC(CC1)[C@H](C2)OC(=O)Nc1ncsc1-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C18H20ClN3O2S.HI/c1-22-7-5-12(6-8-22)15(10-22)24-18(23)21-17-16(25-11-20-17)13-3-2-4-14(19)9-13;/h2-4,9,11-12,15H,5-8,10H2,1H3;1H/t12?,15-,22?;/m0./s1 | PDB
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| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular gland |
Bioorg Med Chem 22: 3478-87 (2014)
Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50021892
(Ipratropium Bromide)Show SMILES [Br-].[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)c1ccccc1)[N+]2(C)C(C)C |TLB:10:8:22:4.3,23:22:8.7.9:4.3,THB:24:22:8.7.9:4.3| Show InChI InChI=1S/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17+,18+,19?,21?; | Reactome pathway
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| 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membrane |
Bioorg Med Chem 22: 3478-87 (2014)
Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50296345
((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)Show SMILES C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1 |TLB:11:5:1:8.10| Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13-,16-,17+/m1/s1 | PDB
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| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular gland |
Bioorg Med Chem 22: 3478-87 (2014)
Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50021926
(CHEMBL3298598)Show SMILES C[N+]12CCC(CC1)[C@H](C2)OC(=O)Nc1ncsc1-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C18H20ClN3O2S.HI/c1-22-7-5-12(6-8-22)15(10-22)24-18(23)21-17-16(25-11-20-17)13-3-2-4-14(19)9-13;/h2-4,9,11-12,15H,5-8,10H2,1H3;1H/t12?,15-,22?;/m0./s1 | Reactome pathway
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| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membrane |
Bioorg Med Chem 22: 3478-87 (2014)
Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50370683
(CHEMBL1169543)Show SMILES O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@H]1c1ccccc1 |r,wD:20.24,3.2,THB:2:3:7.6:9.10,(-1.33,3.85,;-1.33,2.31,;-2.67,1.54,;-4,2.31,;-4.18,3.72,;-5.76,3.08,;-7.14,3.75,;-6.88,2.32,;-5.51,1.68,;-5.61,0,;-6.05,1.14,;,1.54,;;1.33,-.77,;2.67,,;4,-.77,;5.33,,;5.33,1.54,;4,2.31,;2.67,1.54,;1.33,2.31,;1.33,3.85,;2.67,4.62,;2.67,6.16,;1.33,6.93,;,6.16,;,4.62,)| Show InChI InChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21-,22+/m0/s1 | Reactome pathway
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Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for rat cortex muscarinic acetylcholine receptor M1 using [3H]pirenzepine |
J Med Chem 48: 6597-606 (2005)
Article DOI: 10.1021/jm050099q
BindingDB Entry DOI: 10.7270/Q2NP257C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50344285
(CHEMBL1779047 | quinuclidin-4-yl biphenyl-2-ylcarb...)Show InChI InChI=1S/C20H22N2O2/c23-19(24-20-10-13-22(14-11-20)15-12-20)21-18-9-5-4-8-17(18)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,21,23) | Reactome pathway
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| 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membrane |
Bioorg Med Chem 22: 3478-87 (2014)
Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50021893
(CHEMBL3298333)Show InChI InChI=1S/C18H20N2O2S/c21-17(22-18-7-10-20(11-8-18)12-9-18)19-16-15(6-13-23-16)14-4-2-1-3-5-14/h1-6,13H,7-12H2,(H,19,21) | Reactome pathway
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| 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membrane |
Bioorg Med Chem 22: 3478-87 (2014)
Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50021924
(CHEMBL3298597)Show SMILES C[N+]12CCC(CC1)[C@H](C2)OC(=O)Nc1ncsc1-c1ccccc1 |r| Show InChI InChI=1S/C18H21N3O2S.HI/c1-21-9-7-13(8-10-21)15(11-21)23-18(22)20-17-16(24-12-19-17)14-5-3-2-4-6-14;/h2-6,12-13,15H,7-11H2,1H3;1H/t13?,15-,21?;/m0./s1 | PDB
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Astellas Pharma Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular gland |
Bioorg Med Chem 22: 3478-87 (2014)
Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50021924
(CHEMBL3298597)Show SMILES C[N+]12CCC(CC1)[C@H](C2)OC(=O)Nc1ncsc1-c1ccccc1 |r| Show InChI InChI=1S/C18H21N3O2S.HI/c1-21-9-7-13(8-10-21)15(11-21)23-18(22)20-17-16(24-12-19-17)14-5-3-2-4-6-14;/h2-6,12-13,15H,7-11H2,1H3;1H/t13?,15-,21?;/m0./s1 | Reactome pathway
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Astellas Pharma Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membrane |
Bioorg Med Chem 22: 3478-87 (2014)
Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50021909
(CHEMBL3298591)Show InChI InChI=1S/C17H19N3O2S/c21-16(22-17-6-9-20(10-7-17)11-8-17)19-15-14(23-12-18-15)13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,19,21) | Reactome pathway
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Astellas Pharma Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membrane |
Bioorg Med Chem 22: 3478-87 (2014)
Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50021904
(CHEMBL3298588)Show InChI InChI=1S/C18H20N2O2S.ClH/c21-17(22-18-7-10-20(11-8-18)12-9-18)19-15-6-13-23-16(15)14-4-2-1-3-5-14;/h1-6,13H,7-12H2,(H,19,21);1H | PDB
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Astellas Pharma Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M2 receptor in heart |
Bioorg Med Chem 22: 3478-87 (2014)
Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50021901
(CHEMBL3298334)Show InChI InChI=1S/C18H20N2O2S.ClH/c21-17(22-18-6-9-20(10-7-18)11-8-18)19-16-13-23-12-15(16)14-4-2-1-3-5-14;/h1-5,12-13H,6-11H2,(H,19,21);1H | Reactome pathway
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| 0.510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membrane |
Bioorg Med Chem 22: 3478-87 (2014)
Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50021938
(CHEMBL3298763)Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C18H19Cl2N3O2S.HI/c1-23-5-2-18(3-6-23,4-7-23)25-17(24)22-16-15(26-11-21-16)12-8-13(19)10-14(20)9-12;/h8-11H,2-7H2,1H3;1H | PDB
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Astellas Pharma Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M2 receptor in heart |
Bioorg Med Chem 22: 3478-87 (2014)
Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50512947
(CHEMBL4545044)Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1cc2CN(C)C(=O)c2cc1OC Show InChI InChI=1S/C23H20FN5O2/c1-4-29-12-25-21-18(10-26-27-22(21)29)13-5-6-19(24)16(7-13)17-8-14-11-28(2)23(30)15(14)9-20(17)31-3/h5-10,12H,4,11H2,1-3H3 | UniProtKB/SwissProt
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-flumazenil from human GABAA alpha1beta3gamma2 receptor expressed in HEK293 cell membranes measured after 2 hrs by liquid scintil... |
J Med Chem 62: 5773-5796 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00322
BindingDB Entry DOI: 10.7270/Q2HQ437D |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50021910
(CHEMBL3298592)Show SMILES Cl.O=C(Nc1ncsc1-c1ccccc1)O[C@H]1CN2CCC1CC2 |r,wD:16.16,(29.91,-10.86,;32.24,-6.16,;30.91,-6.93,;29.57,-6.15,;29.58,-4.61,;30.82,-3.72,;30.35,-2.26,;28.81,-2.25,;28.33,-3.72,;26.87,-4.18,;25.72,-3.15,;24.26,-3.63,;23.94,-5.14,;25.09,-6.17,;26.55,-5.68,;30.9,-8.47,;32.23,-9.24,;32.23,-10.77,;33.57,-11.55,;34.9,-10.78,;34.91,-9.23,;33.59,-8.46,;32.83,-9.8,;34.33,-10.2,)| Show InChI InChI=1S/C17H19N3O2S.ClH/c21-17(22-14-10-20-8-6-12(14)7-9-20)19-16-15(23-11-18-16)13-4-2-1-3-5-13;/h1-5,11-12,14H,6-10H2,(H,19,21);1H/t14-;/m0./s1 | Reactome pathway
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Astellas Pharma Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membrane |
Bioorg Med Chem 22: 3478-87 (2014)
Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50021892
(Ipratropium Bromide)Show SMILES [Br-].[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)c1ccccc1)[N+]2(C)C(C)C |TLB:10:8:22:4.3,23:22:8.7.9:4.3,THB:24:22:8.7.9:4.3| Show InChI InChI=1S/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17+,18+,19?,21?; | PDB
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Astellas Pharma Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M2 receptor in heart |
Bioorg Med Chem 22: 3478-87 (2014)
Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50021909
(CHEMBL3298591)Show InChI InChI=1S/C17H19N3O2S/c21-16(22-17-6-9-20(10-7-17)11-8-17)19-15-14(23-12-18-15)13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,19,21) | PDB
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| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M2 receptor in heart |
Bioorg Med Chem 22: 3478-87 (2014)
Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50021905
(CHEMBL3298589)Show SMILES Cl.O=C(Nc1ccsc1-c1ccccc1)O[C@H]1CN2CCC1CC2 |r,wD:16.16,(41.69,-11.32,;44.26,-6.71,;42.92,-7.48,;41.59,-6.7,;41.6,-5.16,;42.84,-4.27,;42.37,-2.81,;40.83,-2.8,;40.35,-4.27,;38.89,-4.74,;37.74,-3.7,;36.28,-4.18,;35.96,-5.69,;37.11,-6.72,;38.57,-6.24,;42.92,-9.02,;44.25,-9.79,;44.25,-11.32,;45.58,-12.1,;46.92,-11.33,;46.92,-9.78,;45.61,-9.01,;44.85,-10.35,;46.34,-10.75,)| Show InChI InChI=1S/C18H20N2O2S.ClH/c21-18(22-16-12-20-9-6-13(16)7-10-20)19-15-8-11-23-17(15)14-4-2-1-3-5-14;/h1-5,8,11,13,16H,6-7,9-10,12H2,(H,19,21);1H/t16-;/m0./s1 | PDB
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Astellas Pharma Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M2 receptor in heart |
Bioorg Med Chem 22: 3478-87 (2014)
Article DOI: 10.1016/j.bmc.2014.04.031
BindingDB Entry DOI: 10.7270/Q2XS5X00 |
More data for this
Ligand-Target Pair | |
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