Found 36 hits of Enzyme Inhibition Constant Data 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 |
|---|
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50025032
(CHEMBL3337862)Show SMILES [I-].[I-].[H][C@@]12C[C@@]3([H])[C@H](CC)C[N+]1(C)CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CC[N+]2(C)C[C@@H](CCO)[C@]4([H])C[C@@]12[H] |r,c:24,t:29| Show InChI InChI=1S/C40H50N4O.2HI/c1-4-25-23-43(2)16-14-39-31-9-5-8-12-34(31)42-22-30-28-20-36-40(15-17-44(36,3)24-26(28)13-18-45)32-10-6-7-11-33(32)41(38(30)40)21-29(37(39)42)27(25)19-35(39)43;;/h5-12,21-22,25-28,35-38,45H,4,13-20,23-24H2,1-3H3;2*1H/q+2;;/p-2/b29-21-,30-22-;;/t25-,26-,27+,28+,35+,36+,37+,38+,39-,40-,43?,44?;;/m1../s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 590 | n/a | n/a | n/a | n/a | n/a | n/a |
The German University in Cairo
Curated by ChEMBL
| Assay Description
Antagonist activity at human alpha7 nAChR expressed in GH3 cells by Ca2+/Fluo-4 assay |
J Nat Prod 77: 2006-13 (2014)
Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50025032
(CHEMBL3337862)Show SMILES [I-].[I-].[H][C@@]12C[C@@]3([H])[C@H](CC)C[N+]1(C)CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CC[N+]2(C)C[C@@H](CCO)[C@]4([H])C[C@@]12[H] |r,c:24,t:29| Show InChI InChI=1S/C40H50N4O.2HI/c1-4-25-23-43(2)16-14-39-31-9-5-8-12-34(31)42-22-30-28-20-36-40(15-17-44(36,3)24-26(28)13-18-45)32-10-6-7-11-33(32)41(38(30)40)21-29(37(39)42)27(25)19-35(39)43;;/h5-12,21-22,25-28,35-38,45H,4,13-20,23-24H2,1-3H3;2*1H/q+2;;/p-2/b29-21-,30-22-;;/t25-,26-,27+,28+,35+,36+,37+,38+,39-,40-,43?,44?;;/m1../s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 603 | n/a | n/a | n/a | n/a | n/a | n/a |
The German University in Cairo
Curated by ChEMBL
| Assay Description
Antagonist activity at human alpha7 nAChR expressed in GH3 cells by Ca2+/Fluo-4 assay |
J Nat Prod 77: 2006-13 (2014)
Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50025028
(CHEMBL3337866)Show SMILES [I-].[I-].[H][C@@]12C[C@@]3([H])[C@H](CC)C[N+]1(C)CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CC[N+]2(C)C[C@@H](CC)[C@]4([H])C[C@@]12[H] |r,c:24,t:29| Show InChI InChI=1S/C40H50N4.2HI/c1-5-25-23-43(3)17-15-39-31-11-7-10-14-34(31)42-22-30-28-20-36-40(16-18-44(36,4)24-26(28)6-2)32-12-8-9-13-33(32)41(38(30)40)21-29(37(39)42)27(25)19-35(39)43;;/h7-14,21-22,25-28,35-38H,5-6,15-20,23-24H2,1-4H3;2*1H/q+2;;/p-2/b29-21-,30-22-;;/t25-,26-,27+,28+,35+,36+,37+,38+,39-,40-,43?,44?;;/m1../s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 813 | n/a | n/a | n/a | n/a | n/a | n/a |
The German University in Cairo
Curated by ChEMBL
| Assay Description
Antagonist activity at human alpha7 nAChR expressed in GH3 cells by Ca2+/Fluo-4 assay |
J Nat Prod 77: 2006-13 (2014)
Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50025028
(CHEMBL3337866)Show SMILES [I-].[I-].[H][C@@]12C[C@@]3([H])[C@H](CC)C[N+]1(C)CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CC[N+]2(C)C[C@@H](CC)[C@]4([H])C[C@@]12[H] |r,c:24,t:29| Show InChI InChI=1S/C40H50N4.2HI/c1-5-25-23-43(3)17-15-39-31-11-7-10-14-34(31)42-22-30-28-20-36-40(16-18-44(36,4)24-26(28)6-2)32-12-8-9-13-33(32)41(38(30)40)21-29(37(39)42)27(25)19-35(39)43;;/h7-14,21-22,25-28,35-38H,5-6,15-20,23-24H2,1-4H3;2*1H/q+2;;/p-2/b29-21-,30-22-;;/t25-,26-,27+,28+,35+,36+,37+,38+,39-,40-,43?,44?;;/m1../s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 820 | n/a | n/a | n/a | n/a | n/a | n/a |
The German University in Cairo
Curated by ChEMBL
| Assay Description
Antagonist activity at human alpha7 nAChR expressed in GH3 cells by Ca2+/Fluo-4 assay |
J Nat Prod 77: 2006-13 (2014)
Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50025033
(CHEMBL3337861)Show SMILES [H][C@@]12C[C@@]3([H])[C@H](CC)CN1CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CCN2C[C@@H](CCO)[C@]4([H])C[C@@]12[H] |r,c:23,t:28| Show InChI InChI=1S/C38H44N4O/c1-2-23-19-39-14-12-37-29-7-3-6-10-32(29)42-22-28-26-18-34-38(13-15-40(34)20-24(26)11-16-43)30-8-4-5-9-31(30)41(36(28)38)21-27(35(37)42)25(23)17-33(37)39/h3-10,21-26,33-36,43H,2,11-20H2,1H3/b27-21-,28-22-/t23-,24-,25+,26+,33?,34?,35+,36+,37-,38-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The German University in Cairo
Curated by ChEMBL
| Assay Description
Antagonist activity at human alpha7 nAChR expressed in GH3 cells by Ca2+/Fluo-4 assay |
J Nat Prod 77: 2006-13 (2014)
Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50025033
(CHEMBL3337861)Show SMILES [H][C@@]12C[C@@]3([H])[C@H](CC)CN1CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CCN2C[C@@H](CCO)[C@]4([H])C[C@@]12[H] |r,c:23,t:28| Show InChI InChI=1S/C38H44N4O/c1-2-23-19-39-14-12-37-29-7-3-6-10-32(29)42-22-28-26-18-34-38(13-15-40(34)20-24(26)11-16-43)30-8-4-5-9-31(30)41(36(28)38)21-27(35(37)42)25(23)17-33(37)39/h3-10,21-26,33-36,43H,2,11-20H2,1H3/b27-21-,28-22-/t23-,24-,25+,26+,33?,34?,35+,36+,37-,38-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The German University in Cairo
Curated by ChEMBL
| Assay Description
Antagonist activity at human alpha7 nAChR expressed in GH3 cells by Ca2+/Fluo-4 assay |
J Nat Prod 77: 2006-13 (2014)
Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50025031
(CHEMBL3337863)Show SMILES [Br-].[Br-].[H][C@@]12C[C@@]3([H])[C@H](CC)C[N+]1(CC=C)CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CC[N+]2(CC=C)C[C@@H](CCO)[C@]4([H])C[C@@]12[H] |r,c:26,t:31| Show InChI InChI=1S/C44H54N4O.2BrH/c1-4-18-47-20-16-43-35-11-7-10-14-38(35)46-26-34-32-24-40-44(17-21-48(40,19-5-2)28-30(32)15-22-49)36-12-8-9-13-37(36)45(42(34)44)25-33(41(43)46)31(23-39(43)47)29(6-3)27-47;;/h4-5,7-14,25-26,29-32,39-42,49H,1-2,6,15-24,27-28H2,3H3;2*1H/q+2;;/p-2/b33-25-,34-26-;;/t29-,30-,31+,32+,39+,40+,41+,42+,43-,44-,47?,48?;;/m1../s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The German University in Cairo
Curated by ChEMBL
| Assay Description
Antagonist activity at human alpha7 nAChR expressed in GH3 cells by Ca2+/Fluo-4 assay |
J Nat Prod 77: 2006-13 (2014)
Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50025031
(CHEMBL3337863)Show SMILES [Br-].[Br-].[H][C@@]12C[C@@]3([H])[C@H](CC)C[N+]1(CC=C)CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CC[N+]2(CC=C)C[C@@H](CCO)[C@]4([H])C[C@@]12[H] |r,c:26,t:31| Show InChI InChI=1S/C44H54N4O.2BrH/c1-4-18-47-20-16-43-35-11-7-10-14-38(35)46-26-34-32-24-40-44(17-21-48(40,19-5-2)28-30(32)15-22-49)36-12-8-9-13-37(36)45(42(34)44)25-33(41(43)46)31(23-39(43)47)29(6-3)27-47;;/h4-5,7-14,25-26,29-32,39-42,49H,1-2,6,15-24,27-28H2,3H3;2*1H/q+2;;/p-2/b33-25-,34-26-;;/t29-,30-,31+,32+,39+,40+,41+,42+,43-,44-,47?,48?;;/m1../s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The German University in Cairo
Curated by ChEMBL
| Assay Description
Antagonist activity at human alpha7 nAChR expressed in GH3 cells by Ca2+/Fluo-4 assay |
J Nat Prod 77: 2006-13 (2014)
Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50025029
(CHEMBL3337865)Show SMILES [H][C@@]12C[C@@]3([H])[C@H](CC)CN1CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CCN2C[C@@H](CC)[C@]4([H])C[C@@]12[H] |r,c:23,t:28| Show InChI InChI=1S/C38H44N4/c1-3-23-19-39-15-13-37-29-9-5-8-12-32(29)42-22-28-26-18-34-38(14-16-40(34)20-24(26)4-2)30-10-6-7-11-31(30)41(36(28)38)21-27(35(37)42)25(23)17-33(37)39/h5-12,21-26,33-36H,3-4,13-20H2,1-2H3/b27-21-,28-22-/t23-,24-,25+,26+,33+,34+,35+,36+,37-,38-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The German University in Cairo
Curated by ChEMBL
| Assay Description
Antagonist activity at human alpha7 nAChR expressed in GH3 cells by Ca2+/Fluo-4 assay |
J Nat Prod 77: 2006-13 (2014)
Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50025029
(CHEMBL3337865)Show SMILES [H][C@@]12C[C@@]3([H])[C@H](CC)CN1CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CCN2C[C@@H](CC)[C@]4([H])C[C@@]12[H] |r,c:23,t:28| Show InChI InChI=1S/C38H44N4/c1-3-23-19-39-15-13-37-29-9-5-8-12-32(29)42-22-28-26-18-34-38(14-16-40(34)20-24(26)4-2)30-10-6-7-11-31(30)41(36(28)38)21-27(35(37)42)25(23)17-33(37)39/h5-12,21-26,33-36H,3-4,13-20H2,1-2H3/b27-21-,28-22-/t23-,24-,25+,26+,33+,34+,35+,36+,37-,38-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The German University in Cairo
Curated by ChEMBL
| Assay Description
Antagonist activity at human alpha7 nAChR expressed in GH3 cells by Ca2+/Fluo-4 assay |
J Nat Prod 77: 2006-13 (2014)
Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50025030
(CHEMBL3355097)Show SMILES [Br-].[Br-].[H][C@]12N3\C=C4/[C@]5([H])N(\C=C1\[C@@]1([H])C[C@@]6([H])[C@@]2(CC[N+]6(Cc2ccc(cc2)[N+]([O-])=O)C[C@H]1CC)c1ccccc31)c1ccccc1[C@@]51CC[N+]2(Cc3ccc(cc3)[N+]([O-])=O)C[C@@H](CCO)[C@]4([H])C[C@@]12[H] |r,c:3,8| Show InChI InChI=1S/C52H56N6O5.2BrH/c1-2-35-31-57(29-33-11-15-37(16-12-33)55(60)61)22-20-51-43-7-3-6-10-46(43)54-28-42-40-26-48-52(21-23-58(48,32-36(40)19-24-59)30-34-13-17-38(18-14-34)56(62)63)44-8-4-5-9-45(44)53(50(42)52)27-41(49(51)54)39(35)25-47(51)57;;/h3-18,27-28,35-36,39-40,47-50,59H,2,19-26,29-32H2,1H3;2*1H/q+2;;/p-2/b41-27-,42-28-;;/t35-,36-,39+,40+,47+,48+,49+,50+,51-,52-,57?,58?;;/m1../s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The German University in Cairo
Curated by ChEMBL
| Assay Description
Antagonist activity at human alpha7 nAChR expressed in GH3 cells by Ca2+/Fluo-4 assay |
J Nat Prod 77: 2006-13 (2014)
Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50025030
(CHEMBL3355097)Show SMILES [Br-].[Br-].[H][C@]12N3\C=C4/[C@]5([H])N(\C=C1\[C@@]1([H])C[C@@]6([H])[C@@]2(CC[N+]6(Cc2ccc(cc2)[N+]([O-])=O)C[C@H]1CC)c1ccccc31)c1ccccc1[C@@]51CC[N+]2(Cc3ccc(cc3)[N+]([O-])=O)C[C@@H](CCO)[C@]4([H])C[C@@]12[H] |r,c:3,8| Show InChI InChI=1S/C52H56N6O5.2BrH/c1-2-35-31-57(29-33-11-15-37(16-12-33)55(60)61)22-20-51-43-7-3-6-10-46(43)54-28-42-40-26-48-52(21-23-58(48,32-36(40)19-24-59)30-34-13-17-38(18-14-34)56(62)63)44-8-4-5-9-45(44)53(50(42)52)27-41(49(51)54)39(35)25-47(51)57;;/h3-18,27-28,35-36,39-40,47-50,59H,2,19-26,29-32H2,1H3;2*1H/q+2;;/p-2/b41-27-,42-28-;;/t35-,36-,39+,40+,47+,48+,49+,50+,51-,52-,57?,58?;;/m1../s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The German University in Cairo
Curated by ChEMBL
| Assay Description
Antagonist activity at human alpha7 nAChR expressed in GH3 cells by Ca2+/Fluo-4 assay |
J Nat Prod 77: 2006-13 (2014)
Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50025040
(CHEMBL3355098)Show SMILES [Br-].[Br-].[H][C@]12N3\C=C4/[C@]5([H])N(\C=C1\[C@@]1([H])C[C@@]6([H])[C@@]2(CC[N+]6(Cc2ccc(cc2)[N+]([O-])=O)C[C@H]1CC)c1ccccc31)c1ccccc1[C@@]51CC[N+]2(Cc3ccc(cc3)[N+]([O-])=O)C[C@@H](CC)[C@]4([H])C[C@@]12[H] |r,c:3,8| Show InChI InChI=1S/C52H56N6O4/c1-3-35-31-57(29-33-13-17-37(18-14-33)55(59)60)23-21-51-43-9-5-8-12-46(43)54-28-42-40-26-48-52(22-24-58(48,32-36(40)4-2)30-34-15-19-38(20-16-34)56(61)62)44-10-6-7-11-45(44)53(50(42)52)27-41(49(51)54)39(35)25-47(51)57/h5-20,27-28,35-36,39-40,47-50H,3-4,21-26,29-32H2,1-2H3/q+2/b41-27-,42-28-/t35-,36-,39+,40+,47?,48?,49+,50+,51-,52-,57?,58?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The German University in Cairo
Curated by ChEMBL
| Assay Description
Antagonist activity at human alpha7 nAChR expressed in GH3 cells by Ca2+/Fluo-4 assay |
J Nat Prod 77: 2006-13 (2014)
Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50025040
(CHEMBL3355098)Show SMILES [Br-].[Br-].[H][C@]12N3\C=C4/[C@]5([H])N(\C=C1\[C@@]1([H])C[C@@]6([H])[C@@]2(CC[N+]6(Cc2ccc(cc2)[N+]([O-])=O)C[C@H]1CC)c1ccccc31)c1ccccc1[C@@]51CC[N+]2(Cc3ccc(cc3)[N+]([O-])=O)C[C@@H](CC)[C@]4([H])C[C@@]12[H] |r,c:3,8| Show InChI InChI=1S/C52H56N6O4/c1-3-35-31-57(29-33-13-17-37(18-14-33)55(59)60)23-21-51-43-9-5-8-12-46(43)54-28-42-40-26-48-52(22-24-58(48,32-36(40)4-2)30-34-15-19-38(20-16-34)56(61)62)44-10-6-7-11-45(44)53(50(42)52)27-41(49(51)54)39(35)25-47(51)57/h5-20,27-28,35-36,39-40,47-50H,3-4,21-26,29-32H2,1-2H3/q+2/b41-27-,42-28-/t35-,36-,39+,40+,47?,48?,49+,50+,51-,52-,57?,58?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.14E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The German University in Cairo
Curated by ChEMBL
| Assay Description
Antagonist activity at human alpha7 nAChR expressed in GH3 cells by Ca2+/Fluo-4 assay |
J Nat Prod 77: 2006-13 (2014)
Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(GUINEA PIG) | BDBM50025032
(CHEMBL3337862)Show SMILES [I-].[I-].[H][C@@]12C[C@@]3([H])[C@H](CC)C[N+]1(C)CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CC[N+]2(C)C[C@@H](CCO)[C@]4([H])C[C@@]12[H] |r,c:24,t:29| Show InChI InChI=1S/C40H50N4O.2HI/c1-4-25-23-43(2)16-14-39-31-9-5-8-12-34(31)42-22-30-28-20-36-40(15-17-44(36,3)24-26(28)13-18-45)32-10-6-7-11-33(32)41(38(30)40)21-29(37(39)42)27(25)19-35(39)43;;/h5-12,21-22,25-28,35-38,45H,4,13-20,23-24H2,1-3H3;2*1H/q+2;;/p-2/b29-21-,30-22-;;/t25-,26-,27+,28+,35+,36+,37+,38+,39-,40-,43?,44?;;/m1../s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 320 | n/a | n/a | n/a | n/a |
The German University in Cairo
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from pig muscarinic M2 receptor after 120 mins by liquid scintillation counting |
J Nat Prod 77: 2006-13 (2014)
Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(GUINEA PIG) | BDBM50025033
(CHEMBL3337861)Show SMILES [H][C@@]12C[C@@]3([H])[C@H](CC)CN1CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CCN2C[C@@H](CCO)[C@]4([H])C[C@@]12[H] |r,c:23,t:28| Show InChI InChI=1S/C38H44N4O/c1-2-23-19-39-14-12-37-29-7-3-6-10-32(29)42-22-28-26-18-34-38(13-15-40(34)20-24(26)11-16-43)30-8-4-5-9-31(30)41(36(28)38)21-27(35(37)42)25(23)17-33(37)39/h3-10,21-26,33-36,43H,2,11-20H2,1H3/b27-21-,28-22-/t23-,24-,25+,26+,33?,34?,35+,36+,37-,38-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 410 | n/a | n/a | n/a | n/a |
The German University in Cairo
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from pig muscarinic M2 receptor after 120 mins by liquid scintillation counting |
J Nat Prod 77: 2006-13 (2014)
Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(GUINEA PIG) | BDBM50025035
(CHEMBL3337859)Show SMILES [Br-].[Br-].[H][C@]12C[C@@]3([H])C4=CO[C@@]5([H])N6c7ccccc7[C@@]78CC[N+]9(CC=C)CC%10=CCO[C@@]([H])(N%11c%12ccccc%12[C@@]1(CC[N+]2(CC=C)C4)[C@]%11([H])[C@@]35[H])[C@@]([H])([C@]67[H])[C@@]%10([H])C[C@@]89[H] |r,c:5,t:26| Show InChI InChI=1S/C43H48N4O2/c1-3-16-46-18-14-42-31-10-6-8-12-33(31)45-38(42)36-28(21-34(42)46)26(23-46)13-20-48-40(36)44-32-11-7-5-9-30(32)43-15-19-47(17-4-2)24-27-25-49-41(45)37(39(43)44)29(27)22-35(43)47/h3-13,25,28-29,34-41H,1-2,14-24H2/q+2/t28-,29-,34-,35?,36+,37+,38-,39-,40+,41+,42+,43+,46?,47?/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a |
The German University in Cairo
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from pig muscarinic M2 receptor after 120 mins by liquid scintillation counting |
J Nat Prod 77: 2006-13 (2014)
Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(GUINEA PIG) | BDBM50025028
(CHEMBL3337866)Show SMILES [I-].[I-].[H][C@@]12C[C@@]3([H])[C@H](CC)C[N+]1(C)CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CC[N+]2(C)C[C@@H](CC)[C@]4([H])C[C@@]12[H] |r,c:24,t:29| Show InChI InChI=1S/C40H50N4.2HI/c1-5-25-23-43(3)17-15-39-31-11-7-10-14-34(31)42-22-30-28-20-36-40(16-18-44(36,4)24-26(28)6-2)32-12-8-9-13-33(32)41(38(30)40)21-29(37(39)42)27(25)19-35(39)43;;/h7-14,21-22,25-28,35-38H,5-6,15-20,23-24H2,1-4H3;2*1H/q+2;;/p-2/b29-21-,30-22-;;/t25-,26-,27+,28+,35+,36+,37+,38+,39-,40-,43?,44?;;/m1../s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 260 | n/a | n/a | n/a | n/a |
The German University in Cairo
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from pig muscarinic M2 receptor after 120 mins by liquid scintillation counting |
J Nat Prod 77: 2006-13 (2014)
Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(GUINEA PIG) | BDBM50025034
(CHEMBL3337860)Show SMILES [Br-].[Br-].[H][C@]12C[C@@]3([H])C4=CO[C@@]5([H])N6c7ccccc7[C@@]78CC[N+]9(Cc%10ccc(cc%10)[N+]([O-])=O)CC%10=CCO[C@@]([H])(N%11c%12ccccc%12[C@@]1(CC[N+]2(Cc1ccc(cc1)[N+]([O-])=O)C4)[C@]%11([H])[C@@]35[H])[C@@]([H])([C@]67[H])[C@@]%10([H])C[C@@]89[H] |r,c:5,t:34| Show InChI InChI=1S/C51H50N6O6/c58-54(59)34-13-9-30(10-14-34)25-56-20-18-50-39-6-2-4-8-41(39)53-46(50)44-36(23-42(50)56)32(27-56)17-22-62-48(44)52-40-7-3-1-5-38(40)51-19-21-57(26-31-11-15-35(16-12-31)55(60)61)28-33-29-63-49(53)45(47(51)52)37(33)24-43(51)57/h1-17,29,36-37,42-49H,18-28H2/q+2/t36-,37-,42-,43?,44+,45+,46-,47-,48+,49+,50+,51+,56?,57?/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 339 | n/a | n/a | n/a | n/a |
The German University in Cairo
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from pig muscarinic M2 receptor after 120 mins by liquid scintillation counting |
J Nat Prod 77: 2006-13 (2014)
Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(GUINEA PIG) | BDBM50025038
(Alcuronium)Show SMILES [H][C@@]12C[C@@]3([H])C(C[N+]1(CC=C)CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CC[N@@+]2(CC=C)CC(=CCO)[C@]4([H])C[C@@]12[H])=CCO |c:24,t:29| Show InChI InChI=1S/C44H50N4O2/c1-3-17-47-19-15-43-35-9-5-7-11-37(35)45-26-34-32-24-40-44(16-20-48(40,18-4-2)28-30(32)14-22-50)36-10-6-8-12-38(36)46(42(34)44)25-33(41(43)45)31(23-39(43)47)29(27-47)13-21-49/h3-14,25-26,31-32,39-42,49-50H,1-2,15-24,27-28H2/q+2/b29-13-,30-14-,33-25-,34-26-/t31-,32-,39-,40-,41-,42-,43+,44+,47-,48?/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
The German University in Cairo
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from pig muscarinic M2 receptor after 120 mins by liquid scintillation counting |
J Nat Prod 77: 2006-13 (2014)
Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(GUINEA PIG) | BDBM50025028
(CHEMBL3337866)Show SMILES [I-].[I-].[H][C@@]12C[C@@]3([H])[C@H](CC)C[N+]1(C)CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CC[N+]2(C)C[C@@H](CC)[C@]4([H])C[C@@]12[H] |r,c:24,t:29| Show InChI InChI=1S/C40H50N4.2HI/c1-5-25-23-43(3)17-15-39-31-11-7-10-14-34(31)42-22-30-28-20-36-40(16-18-44(36,4)24-26(28)6-2)32-12-8-9-13-33(32)41(38(30)40)21-29(37(39)42)27(25)19-35(39)43;;/h7-14,21-22,25-28,35-38H,5-6,15-20,23-24H2,1-4H3;2*1H/q+2;;/p-2/b29-21-,30-22-;;/t25-,26-,27+,28+,35+,36+,37+,38+,39-,40-,43?,44?;;/m1../s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 263 | n/a | n/a | n/a | n/a |
The German University in Cairo
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from pig muscarinic M2 receptor after 120 mins by liquid scintillation counting |
J Nat Prod 77: 2006-13 (2014)
Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(GUINEA PIG) | BDBM50025039
(CHEMBL3337857)Show SMILES [Cl-].[Cl-].[H][C@@]12C[C@@]3([H])\C(C[N+]1(C)CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CC[N+]2(C)C\C(=C\CO)[C@]4([H])C[C@@]12[H])=C/CO |r,c:22,t:27| Show InChI InChI=1S/C40H46N4O2/c1-43-15-13-39-31-7-3-5-9-33(31)41-22-30-28-20-36-40(14-16-44(36,2)24-26(28)12-18-46)32-8-4-6-10-34(32)42(38(30)40)21-29(37(39)41)27(19-35(39)43)25(23-43)11-17-45/h3-12,21-22,27-28,35-38,45-46H,13-20,23-24H2,1-2H3/q+2/b25-11-,26-12-,29-21-,30-22-/t27-,28-,35?,36?,37-,38-,39+,40+,43?,44?/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 96 | n/a | n/a | n/a | n/a |
The German University in Cairo
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from pig muscarinic M2 receptor after 120 mins by liquid scintillation counting |
J Nat Prod 77: 2006-13 (2014)
Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(GUINEA PIG) | BDBM50025036
(CHEMBL3337858)Show SMILES [I-].[I-].[H][C@]12C[C@@]3([H])C4=CO[C@@]5([H])N6c7ccccc7[C@@]78CC[N+]9(C)CC%10=CCO[C@@]([H])(N%11c%12ccccc%12[C@@]1(CC[N+]2(C)C4)[C@]%11([H])[C@@]35[H])[C@@]([H])([C@]67[H])[C@@]%10([H])C[C@@]89[H] |r,c:5,t:24| Show InChI InChI=1S/C39H44N4O2/c1-42-14-12-38-27-8-4-6-10-29(27)41-34(38)32-24(17-30(38)42)22(19-42)11-16-44-36(32)40-28-9-5-3-7-26(28)39-13-15-43(2)20-23-21-45-37(41)33(35(39)40)25(23)18-31(39)43/h3-11,21,24-25,30-37H,12-20H2,1-2H3/q+2/t24-,25-,30-,31?,32+,33+,34-,35-,36+,37+,38+,39+,42?,43?/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 8 | n/a | n/a | n/a | n/a |
The German University in Cairo
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from pig muscarinic M2 receptor after 120 mins by liquid scintillation counting |
J Nat Prod 77: 2006-13 (2014)
Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(GUINEA PIG) | BDBM50025030
(CHEMBL3355097)Show SMILES [Br-].[Br-].[H][C@]12N3\C=C4/[C@]5([H])N(\C=C1\[C@@]1([H])C[C@@]6([H])[C@@]2(CC[N+]6(Cc2ccc(cc2)[N+]([O-])=O)C[C@H]1CC)c1ccccc31)c1ccccc1[C@@]51CC[N+]2(Cc3ccc(cc3)[N+]([O-])=O)C[C@@H](CCO)[C@]4([H])C[C@@]12[H] |r,c:3,8| Show InChI InChI=1S/C52H56N6O5.2BrH/c1-2-35-31-57(29-33-11-15-37(16-12-33)55(60)61)22-20-51-43-7-3-6-10-46(43)54-28-42-40-26-48-52(21-23-58(48,32-36(40)19-24-59)30-34-13-17-38(18-14-34)56(62)63)44-8-4-5-9-45(44)53(50(42)52)27-41(49(51)54)39(35)25-47(51)57;;/h3-18,27-28,35-36,39-40,47-50,59H,2,19-26,29-32H2,1H3;2*1H/q+2;;/p-2/b41-27-,42-28-;;/t35-,36-,39+,40+,47+,48+,49+,50+,51-,52-,57?,58?;;/m1../s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 32 | n/a | n/a | n/a | n/a |
The German University in Cairo
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from pig muscarinic M2 receptor after 120 mins by liquid scintillation counting |
J Nat Prod 77: 2006-13 (2014)
Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(GUINEA PIG) | BDBM50025031
(CHEMBL3337863)Show SMILES [Br-].[Br-].[H][C@@]12C[C@@]3([H])[C@H](CC)C[N+]1(CC=C)CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CC[N+]2(CC=C)C[C@@H](CCO)[C@]4([H])C[C@@]12[H] |r,c:26,t:31| Show InChI InChI=1S/C44H54N4O.2BrH/c1-4-18-47-20-16-43-35-11-7-10-14-38(35)46-26-34-32-24-40-44(17-21-48(40,19-5-2)28-30(32)15-22-49)36-12-8-9-13-37(36)45(42(34)44)25-33(41(43)46)31(23-39(43)47)29(6-3)27-47;;/h4-5,7-14,25-26,29-32,39-42,49H,1-2,6,15-24,27-28H2,3H3;2*1H/q+2;;/p-2/b33-25-,34-26-;;/t29-,30-,31+,32+,39+,40+,41+,42+,43-,44-,47?,48?;;/m1../s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a |
The German University in Cairo
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from pig muscarinic M2 receptor after 120 mins by liquid scintillation counting |
J Nat Prod 77: 2006-13 (2014)
Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(GUINEA PIG) | BDBM50025027
(CHEMBL3337867)Show SMILES [Br-].[Br-].[H][C@@]12C[C@@]3([H])[C@H](CC)C[N+]1(CC=C)CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CC[N+]2(CC=C)C[C@@H](CC)[C@]4([H])C[C@@]12[H] |r,c:26,t:31| Show InChI InChI=1S/C44H54N4.2BrH/c1-5-19-47-21-17-43-35-13-9-11-15-37(35)45-26-34-32-24-40-44(18-22-48(40,20-6-2)28-30(32)8-4)36-14-10-12-16-38(36)46(42(34)44)25-33(41(43)45)31(23-39(43)47)29(7-3)27-47;;/h5-6,9-16,25-26,29-32,39-42H,1-2,7-8,17-24,27-28H2,3-4H3;2*1H/q+2;;/p-2/b33-25-,34-26-;;/t29-,30-,31+,32+,39+,40+,41+,42+,43-,44-,47?,48?;;/m1../s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 36 | n/a | n/a | n/a | n/a |
The German University in Cairo
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from pig muscarinic M2 receptor after 120 mins by liquid scintillation counting |
J Nat Prod 77: 2006-13 (2014)
Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(GUINEA PIG) | BDBM50025033
(CHEMBL3337861)Show SMILES [H][C@@]12C[C@@]3([H])[C@H](CC)CN1CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CCN2C[C@@H](CCO)[C@]4([H])C[C@@]12[H] |r,c:23,t:28| Show InChI InChI=1S/C38H44N4O/c1-2-23-19-39-14-12-37-29-7-3-6-10-32(29)42-22-28-26-18-34-38(13-15-40(34)20-24(26)11-16-43)30-8-4-5-9-31(30)41(36(28)38)21-27(35(37)42)25(23)17-33(37)39/h3-10,21-26,33-36,43H,2,11-20H2,1H3/b27-21-,28-22-/t23-,24-,25+,26+,33?,34?,35+,36+,37-,38-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 407 | n/a | n/a | n/a | n/a |
The German University in Cairo
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from pig muscarinic M2 receptor after 120 mins by liquid scintillation counting |
J Nat Prod 77: 2006-13 (2014)
Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(GUINEA PIG) | BDBM50025032
(CHEMBL3337862)Show SMILES [I-].[I-].[H][C@@]12C[C@@]3([H])[C@H](CC)C[N+]1(C)CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CC[N+]2(C)C[C@@H](CCO)[C@]4([H])C[C@@]12[H] |r,c:24,t:29| Show InChI InChI=1S/C40H50N4O.2HI/c1-4-25-23-43(2)16-14-39-31-9-5-8-12-34(31)42-22-30-28-20-36-40(15-17-44(36,3)24-26(28)13-18-45)32-10-6-7-11-33(32)41(38(30)40)21-29(37(39)42)27(25)19-35(39)43;;/h5-12,21-22,25-28,35-38,45H,4,13-20,23-24H2,1-3H3;2*1H/q+2;;/p-2/b29-21-,30-22-;;/t25-,26-,27+,28+,35+,36+,37+,38+,39-,40-,43?,44?;;/m1../s1 | PDB
UniProtKB/SwissProt
B.MOAD
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UniChem
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| Article
PubMed
| n/a | n/a | n/a | n/a | 324 | n/a | n/a | n/a | n/a |
The German University in Cairo
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from pig muscarinic M2 receptor after 120 mins by liquid scintillation counting |
J Nat Prod 77: 2006-13 (2014)
Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(GUINEA PIG) | BDBM50025037
(CHEBI:3382 | Caracurine V)Show SMILES [H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])N6c7ccccc7[C@@]78CCN9CC%10=CCO[C@@]([H])(N%11c%12ccccc%12[C@@]1(CCN2C4)[C@]%11([H])[C@@]35[H])[C@@]([H])([C@]67[H])[C@@]%10([H])C[C@@]89[H] |r,c:5,t:24| Show InChI InChI=1S/C38H40N4O2/c1-3-7-27-25(5-1)37-11-13-39-19-21-10-16-44-36-31(23(21)17-29(37)39)33(37)41(27)35-32-24-18-30-38(12-14-40(30)20-22(24)9-15-43-35)26-6-2-4-8-28(26)42(36)34(32)38/h1-10,23-24,29-36H,11-20H2/t23-,24-,29-,30-,31+,32+,33-,34-,35+,36+,37+,38+/m0/s1 | PDB
UniProtKB/SwissProt
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PC sid
UniChem
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PubMed
| n/a | n/a | n/a | n/a | 436 | n/a | n/a | n/a | n/a |
The German University in Cairo
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from pig muscarinic M2 receptor after 120 mins by liquid scintillation counting |
J Nat Prod 77: 2006-13 (2014)
Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(GUINEA PIG) | BDBM50025040
(CHEMBL3355098)Show SMILES [Br-].[Br-].[H][C@]12N3\C=C4/[C@]5([H])N(\C=C1\[C@@]1([H])C[C@@]6([H])[C@@]2(CC[N+]6(Cc2ccc(cc2)[N+]([O-])=O)C[C@H]1CC)c1ccccc31)c1ccccc1[C@@]51CC[N+]2(Cc3ccc(cc3)[N+]([O-])=O)C[C@@H](CC)[C@]4([H])C[C@@]12[H] |r,c:3,8| Show InChI InChI=1S/C52H56N6O4/c1-3-35-31-57(29-33-13-17-37(18-14-33)55(59)60)23-21-51-43-9-5-8-12-46(43)54-28-42-40-26-48-52(22-24-58(48,32-36(40)4-2)30-34-15-19-38(20-16-34)56(61)62)44-10-6-7-11-45(44)53(50(42)52)27-41(49(51)54)39(35)25-47(51)57/h5-20,27-28,35-36,39-40,47-50H,3-4,21-26,29-32H2,1-2H3/q+2/b41-27-,42-28-/t35-,36-,39+,40+,47?,48?,49+,50+,51-,52-,57?,58?/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 49 | n/a | n/a | n/a | n/a |
The German University in Cairo
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from pig muscarinic M2 receptor after 120 mins by liquid scintillation counting |
J Nat Prod 77: 2006-13 (2014)
Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(GUINEA PIG) | BDBM50025030
(CHEMBL3355097)Show SMILES [Br-].[Br-].[H][C@]12N3\C=C4/[C@]5([H])N(\C=C1\[C@@]1([H])C[C@@]6([H])[C@@]2(CC[N+]6(Cc2ccc(cc2)[N+]([O-])=O)C[C@H]1CC)c1ccccc31)c1ccccc1[C@@]51CC[N+]2(Cc3ccc(cc3)[N+]([O-])=O)C[C@@H](CCO)[C@]4([H])C[C@@]12[H] |r,c:3,8| Show InChI InChI=1S/C52H56N6O5.2BrH/c1-2-35-31-57(29-33-11-15-37(16-12-33)55(60)61)22-20-51-43-7-3-6-10-46(43)54-28-42-40-26-48-52(21-23-58(48,32-36(40)19-24-59)30-34-13-17-38(18-14-34)56(62)63)44-8-4-5-9-45(44)53(50(42)52)27-41(49(51)54)39(35)25-47(51)57;;/h3-18,27-28,35-36,39-40,47-50,59H,2,19-26,29-32H2,1H3;2*1H/q+2;;/p-2/b41-27-,42-28-;;/t35-,36-,39+,40+,47+,48+,49+,50+,51-,52-,57?,58?;;/m1../s1 | PDB
UniProtKB/SwissProt
B.MOAD
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 32 | n/a | n/a | n/a | n/a |
The German University in Cairo
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from pig muscarinic M2 receptor after 120 mins by liquid scintillation counting |
J Nat Prod 77: 2006-13 (2014)
Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(GUINEA PIG) | BDBM50025029
(CHEMBL3337865)Show SMILES [H][C@@]12C[C@@]3([H])[C@H](CC)CN1CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CCN2C[C@@H](CC)[C@]4([H])C[C@@]12[H] |r,c:23,t:28| Show InChI InChI=1S/C38H44N4/c1-3-23-19-39-15-13-37-29-9-5-8-12-32(29)42-22-28-26-18-34-38(14-16-40(34)20-24(26)4-2)30-10-6-7-11-31(30)41(36(28)38)21-27(35(37)42)25(23)17-33(37)39/h5-12,21-26,33-36H,3-4,13-20H2,1-2H3/b27-21-,28-22-/t23-,24-,25+,26+,33+,34+,35+,36+,37-,38-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| CHEMBL
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PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | n/a | n/a | 501 | n/a | n/a | n/a | n/a |
The German University in Cairo
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from pig muscarinic M2 receptor after 120 mins by liquid scintillation counting |
J Nat Prod 77: 2006-13 (2014)
Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(GUINEA PIG) | BDBM50025027
(CHEMBL3337867)Show SMILES [Br-].[Br-].[H][C@@]12C[C@@]3([H])[C@H](CC)C[N+]1(CC=C)CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CC[N+]2(CC=C)C[C@@H](CC)[C@]4([H])C[C@@]12[H] |r,c:26,t:31| Show InChI InChI=1S/C44H54N4.2BrH/c1-5-19-47-21-17-43-35-13-9-11-15-37(35)45-26-34-32-24-40-44(18-22-48(40,20-6-2)28-30(32)8-4)36-14-10-12-16-38(36)46(42(34)44)25-33(41(43)45)31(23-39(43)47)29(7-3)27-47;;/h5-6,9-16,25-26,29-32,39-42H,1-2,7-8,17-24,27-28H2,3-4H3;2*1H/q+2;;/p-2/b33-25-,34-26-;;/t29-,30-,31+,32+,39+,40+,41+,42+,43-,44-,47?,48?;;/m1../s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 36 | n/a | n/a | n/a | n/a |
The German University in Cairo
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from pig muscarinic M2 receptor after 120 mins by liquid scintillation counting |
J Nat Prod 77: 2006-13 (2014)
Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(GUINEA PIG) | BDBM50025040
(CHEMBL3355098)Show SMILES [Br-].[Br-].[H][C@]12N3\C=C4/[C@]5([H])N(\C=C1\[C@@]1([H])C[C@@]6([H])[C@@]2(CC[N+]6(Cc2ccc(cc2)[N+]([O-])=O)C[C@H]1CC)c1ccccc31)c1ccccc1[C@@]51CC[N+]2(Cc3ccc(cc3)[N+]([O-])=O)C[C@@H](CC)[C@]4([H])C[C@@]12[H] |r,c:3,8| Show InChI InChI=1S/C52H56N6O4/c1-3-35-31-57(29-33-13-17-37(18-14-33)55(59)60)23-21-51-43-9-5-8-12-46(43)54-28-42-40-26-48-52(22-24-58(48,32-36(40)4-2)30-34-15-19-38(20-16-34)56(61)62)44-10-6-7-11-45(44)53(50(42)52)27-41(49(51)54)39(35)25-47(51)57/h5-20,27-28,35-36,39-40,47-50H,3-4,21-26,29-32H2,1-2H3/q+2/b41-27-,42-28-/t35-,36-,39+,40+,47?,48?,49+,50+,51-,52-,57?,58?/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 49 | n/a | n/a | n/a | n/a |
The German University in Cairo
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from pig muscarinic M2 receptor after 120 mins by liquid scintillation counting |
J Nat Prod 77: 2006-13 (2014)
Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(GUINEA PIG) | BDBM50025031
(CHEMBL3337863)Show SMILES [Br-].[Br-].[H][C@@]12C[C@@]3([H])[C@H](CC)C[N+]1(CC=C)CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CC[N+]2(CC=C)C[C@@H](CCO)[C@]4([H])C[C@@]12[H] |r,c:26,t:31| Show InChI InChI=1S/C44H54N4O.2BrH/c1-4-18-47-20-16-43-35-11-7-10-14-38(35)46-26-34-32-24-40-44(17-21-48(40,19-5-2)28-30(32)15-22-49)36-12-8-9-13-37(36)45(42(34)44)25-33(41(43)46)31(23-39(43)47)29(6-3)27-47;;/h4-5,7-14,25-26,29-32,39-42,49H,1-2,6,15-24,27-28H2,3H3;2*1H/q+2;;/p-2/b33-25-,34-26-;;/t29-,30-,31+,32+,39+,40+,41+,42+,43-,44-,47?,48?;;/m1../s1 | PDB
UniProtKB/SwissProt
B.MOAD
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AffyNet
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a |
The German University in Cairo
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from pig muscarinic M2 receptor after 120 mins by liquid scintillation counting |
J Nat Prod 77: 2006-13 (2014)
Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(GUINEA PIG) | BDBM50025029
(CHEMBL3337865)Show SMILES [H][C@@]12C[C@@]3([H])[C@H](CC)CN1CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CCN2C[C@@H](CC)[C@]4([H])C[C@@]12[H] |r,c:23,t:28| Show InChI InChI=1S/C38H44N4/c1-3-23-19-39-15-13-37-29-9-5-8-12-32(29)42-22-28-26-18-34-38(14-16-40(34)20-24(26)4-2)30-10-6-7-11-31(30)41(36(28)38)21-27(35(37)42)25(23)17-33(37)39/h5-12,21-26,33-36H,3-4,13-20H2,1-2H3/b27-21-,28-22-/t23-,24-,25+,26+,33+,34+,35+,36+,37-,38-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 500 | n/a | n/a | n/a | n/a |
The German University in Cairo
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from pig muscarinic M2 receptor after 120 mins by liquid scintillation counting |
J Nat Prod 77: 2006-13 (2014)
Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8 |
More data for this
Ligand-Target Pair | |
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