Found 175 hits Enz. Inhib. hit(s) with all data for entry = 50040876 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 |
|---|
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50338990
(1-(3,4-dimethoxyphenethyl)-4-(3-phenylpropyl)piper...)Show InChI InChI=1S/C23H32N2O2/c1-26-22-11-10-21(19-23(22)27-2)12-14-25-17-15-24(16-18-25)13-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,19H,6,9,12-18H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50401369
(CHEMBL2205822)Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCCCc1cccc(F)c1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11| Show InChI InChI=1S/C21H24FNO/c22-11-6-3-5-10(8-11)4-1-2-7-23-20-16-12-9-13-15-14(12)17(20)19(15)21(23,24)18(13)16/h3,5-6,8,12-20,24H,1-2,4,7,9H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50401366
(CHEMBL2205831)Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CC1CCCCC1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11| Show InChI InChI=1S/C18H25NO/c20-18-15-10-6-9-11-12(10)16(18)14(11)17(13(9)15)19(18)7-8-4-2-1-3-5-8/h8-17,20H,1-7H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 6.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50401370
(CHEMBL2205821)Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCCCc1ccccc1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11| Show InChI InChI=1S/C21H25NO/c23-21-18-13-10-12-14-15(13)19(21)17(14)20(16(12)18)22(21)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,12-20,23H,4-5,8-10H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50401371
(CHEMBL2205820)Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCCc1cccc(F)c1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11| Show InChI InChI=1S/C20H22FNO/c21-10-5-1-3-9(7-10)4-2-6-22-19-15-11-8-12-14-13(11)16(19)18(14)20(22,23)17(12)15/h1,3,5,7,11-19,23H,2,4,6,8H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50401368
(CHEMBL2205813)Show SMILES COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1OC |TLB:10:21:12.13:19,15:17:12.13:19,THB:11:12:21.17:19,20:21:11.14:9,12:11:21.17:9,14:13:21.17:19,18:17:11.14:9,13:14:21.17:9,8:9:11.14:21.17| Show InChI InChI=1S/C21H25NO3/c1-24-12-5-3-4-9(20(12)25-2)6-7-22-19-15-10-8-11-14-13(10)16(19)18(14)21(22,23)17(11)15/h3-5,10-11,13-19,23H,6-8H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50401376
(CHEMBL2205812)Show SMILES COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1 |TLB:9:20:11.12:18,14:16:11.12:18,THB:10:11:20.16:18,19:20:10.13:8,11:10:20.16:8,13:12:20.16:18,17:16:10.13:8,12:13:20.16:8,7:8:10.13:20.16| Show InChI InChI=1S/C20H23NO2/c1-23-10-4-2-9(3-5-10)6-7-21-19-15-11-8-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h2-5,11-19,22H,6-8H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50401372
(CHEMBL2205819)Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCCc1ccccc1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11| Show InChI InChI=1S/C20H23NO/c22-20-17-12-9-11-13-14(12)18(20)16(13)19(15(11)17)21(20)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11-19,22H,4,7-9H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50401374
(CHEMBL2205815)Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCc1ccc2OCOc2c1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11| Show InChI InChI=1S/C20H21NO3/c22-20-17-10-6-9-13-14(10)18(20)16(13)19(15(9)17)21(20)4-3-8-1-2-11-12(5-8)24-7-23-11/h1-2,5,9-10,13-19,22H,3-4,6-7H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50401377
(CHEMBL2205835)Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCc1ccccc1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11| Show InChI InChI=1S/C19H21NO/c21-19-16-11-8-10-12-13(11)17(19)15(12)18(14(10)16)20(19)7-6-9-4-2-1-3-5-9/h1-5,10-18,21H,6-8H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50401376
(CHEMBL2205812)Show SMILES COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1 |TLB:9:20:11.12:18,14:16:11.12:18,THB:10:11:20.16:18,19:20:10.13:8,11:10:20.16:8,13:12:20.16:18,17:16:10.13:8,12:13:20.16:8,7:8:10.13:20.16| Show InChI InChI=1S/C20H23NO2/c1-23-10-4-2-9(3-5-10)6-7-21-19-15-11-8-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h2-5,11-19,22H,6-8H2,1H3 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to M1 muscarinic receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50401361
(CHEMBL2205811)Show SMILES COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1 |TLB:10:21:12.13:19,15:17:12.13:19,THB:11:12:21.17:19,20:21:11.14:9,12:11:21.17:9,14:13:21.17:19,18:17:11.14:9,13:14:21.17:9,8:9:11.14:21.17| Show InChI InChI=1S/C20H23NO2/c1-23-10-4-2-3-9(7-10)5-6-21-19-15-11-8-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h2-4,7,11-19,22H,5-6,8H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50401381
(CHEMBL2205826)Show SMILES COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)c(OC)c1 |TLB:8:19:10.11:17,13:15:10.11:17,THB:9:10:19.15:17,18:19:9.12:7,10:9:19.15:7,12:11:19.15:17,16:15:9.12:7,11:12:19.15:7,6:7:9.12:19.15| Show InChI InChI=1S/C20H23NO3/c1-23-9-4-3-8(12(5-9)24-2)7-21-19-15-10-6-11-14-13(10)16(19)18(14)20(21,22)17(11)15/h3-5,10-11,13-19,22H,6-7H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 66 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50401373
(CHEMBL2205818)Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCc1ccncc1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11| Show InChI InChI=1S/C18H20N2O/c21-18-15-10-7-9-11-12(10)16(18)14(11)17(13(9)15)20(18)6-3-8-1-4-19-5-2-8/h1-2,4-5,9-17,21H,3,6-7H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50401362
(CHEMBL2205836)Show SMILES COc1ccccc1CCN1C2C3C4C5C3C1(O)C1C5CC4C21 |TLB:11:22:13.14:20,16:18:13.14:20,THB:12:13:22.18:20,21:22:12.15:10,13:12:22.18:10,15:14:22.18:20,19:18:12.15:10,14:15:22.18:10,9:10:12.15:22.18| Show InChI InChI=1S/C20H23NO2/c1-23-12-5-3-2-4-9(12)6-7-21-19-15-10-8-11-14-13(10)16(19)18(14)20(21,22)17(11)15/h2-5,10-11,13-19,22H,6-8H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 69 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50401375
(CHEMBL2205814)Show SMILES COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC |TLB:9:20:11.12:18,14:16:11.12:18,THB:10:11:20.16:18,19:20:10.13:8,11:10:20.16:8,13:12:20.16:18,17:16:10.13:8,12:13:20.16:8,7:8:10.13:20.16| Show InChI InChI=1S/C21H25NO3/c1-24-12-4-3-9(7-13(12)25-2)5-6-22-20-16-10-8-11-15-14(10)17(20)19(15)21(22,23)18(11)16/h3-4,7,10-11,14-20,23H,5-6,8H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 101 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50401384
(CHEMBL2205823)Show SMILES COc1ccccc1CN1C2C3C4C5C3C1(O)C1C5CC4C21 |TLB:10:21:12.13:19,15:17:12.13:19,THB:11:12:21.17:19,20:21:11.14:9,12:11:21.17:9,14:13:21.17:19,18:17:11.14:9,13:14:21.17:9,8:9:11.14:21.17| Show InChI InChI=1S/C19H21NO2/c1-22-11-5-3-2-4-8(11)7-20-18-14-9-6-10-13-12(9)15(18)17(13)19(20,21)16(10)14/h2-5,9-10,12-18,21H,6-7H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50401382
(CHEMBL2205825)Show SMILES COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1 |TLB:8:19:10.11:17,13:15:10.11:17,THB:9:10:19.15:17,18:19:9.12:7,10:9:19.15:7,12:11:19.15:17,16:15:9.12:7,11:12:19.15:7,6:7:9.12:19.15| Show InChI InChI=1S/C19H21NO2/c1-22-9-4-2-8(3-5-9)7-20-18-14-10-6-11-13-12(10)15(18)17(13)19(20,21)16(11)14/h2-5,10-18,21H,6-7H2,1H3 | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50401359
(CHEMBL2205816)Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCc1ccccn1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11| Show InChI InChI=1S/C18H20N2O/c21-18-15-10-7-9-11-12(10)16(18)14(11)17(13(9)15)20(18)6-4-8-3-1-2-5-19-8/h1-3,5,9-17,21H,4,6-7H2 | PDB
Reactome pathway
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PC sid
UniChem
| Article
PubMed
| 209 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to M3 muscarinic receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50401376
(CHEMBL2205812)Show SMILES COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1 |TLB:9:20:11.12:18,14:16:11.12:18,THB:10:11:20.16:18,19:20:10.13:8,11:10:20.16:8,13:12:20.16:18,17:16:10.13:8,12:13:20.16:8,7:8:10.13:20.16| Show InChI InChI=1S/C20H23NO2/c1-23-10-4-2-9(3-5-10)6-7-21-19-15-11-8-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h2-5,11-19,22H,6-8H2,1H3 | PDB
UniProtKB/SwissProt
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PC cid
PC sid
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| Article
PubMed
| 216 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to M2 muscarinic receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50401363
(CHEMBL2205827)Show SMILES COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC |TLB:8:19:10.11:17,13:15:10.11:17,THB:9:10:19.15:17,18:19:9.12:7,10:9:19.15:7,12:11:19.15:17,16:15:9.12:7,11:12:19.15:7,6:7:9.12:19.15| Show InChI InChI=1S/C20H23NO3/c1-23-11-4-3-8(5-12(11)24-2)7-21-19-15-9-6-10-14-13(9)16(19)18(14)20(21,22)17(10)15/h3-5,9-10,13-19,22H,6-7H2,1-2H3 | PDB
UniProtKB/SwissProt
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| Article
PubMed
| 228 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50401384
(CHEMBL2205823)Show SMILES COc1ccccc1CN1C2C3C4C5C3C1(O)C1C5CC4C21 |TLB:10:21:12.13:19,15:17:12.13:19,THB:11:12:21.17:19,20:21:11.14:9,12:11:21.17:9,14:13:21.17:19,18:17:11.14:9,13:14:21.17:9,8:9:11.14:21.17| Show InChI InChI=1S/C19H21NO2/c1-22-11-5-3-2-4-8(11)7-20-18-14-9-6-10-13-12(9)15(18)17(13)19(20,21)16(10)14/h2-5,9-10,12-18,21H,6-7H2,1H3 | UniProtKB/SwissProt
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| CHEMBL
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PC sid
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| Article
PubMed
| 313 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to M1 muscarinic receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50401383
(CHEMBL2205824)Show SMILES COc1cccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)c1 |TLB:9:20:11.12:18,14:16:11.12:18,THB:10:11:20.16:18,19:20:10.13:8,11:10:20.16:8,13:12:20.16:18,17:16:10.13:8,12:13:20.16:8,7:8:10.13:20.16| Show InChI InChI=1S/C19H21NO2/c1-22-9-4-2-3-8(5-9)7-20-18-14-10-6-11-13-12(10)15(18)17(13)19(20,21)16(11)14/h2-5,10-18,21H,6-7H2,1H3 | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 327 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50288954
(11-benzyl-11-azahexacyclo[5.4.1.02,6.03,10.04,8.09...)Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccccc1 |TLB:3:2:12:11.7,4:5:12:11.7,10:11:12:2.5,8:7:12:2.5,THB:13:12:11.7:2.5| Show InChI InChI=1S/C18H19NO/c20-18-15-10-6-9-11-12(10)16(18)14(11)17(13(9)15)19(18)7-8-4-2-1-3-5-8/h1-5,9-17,20H,6-7H2 | PDB
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PubMed
| 336 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to M3 muscarinic receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50288954
(11-benzyl-11-azahexacyclo[5.4.1.02,6.03,10.04,8.09...)Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccccc1 |TLB:3:2:12:11.7,4:5:12:11.7,10:11:12:2.5,8:7:12:2.5,THB:13:12:11.7:2.5| Show InChI InChI=1S/C18H19NO/c20-18-15-10-6-9-11-12(10)16(18)14(11)17(13(9)15)19(18)7-8-4-2-1-3-5-8/h1-5,9-17,20H,6-7H2 | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 337 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50401384
(CHEMBL2205823)Show SMILES COc1ccccc1CN1C2C3C4C5C3C1(O)C1C5CC4C21 |TLB:10:21:12.13:19,15:17:12.13:19,THB:11:12:21.17:19,20:21:11.14:9,12:11:21.17:9,14:13:21.17:19,18:17:11.14:9,13:14:21.17:9,8:9:11.14:21.17| Show InChI InChI=1S/C19H21NO2/c1-22-11-5-3-2-4-8(11)7-20-18-14-9-6-10-13-12(9)15(18)17(13)19(20,21)16(10)14/h2-5,9-10,12-18,21H,6-7H2,1H3 | PDB
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PubMed
| 360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to M3 muscarinic receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50401376
(CHEMBL2205812)Show SMILES COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1 |TLB:9:20:11.12:18,14:16:11.12:18,THB:10:11:20.16:18,19:20:10.13:8,11:10:20.16:8,13:12:20.16:18,17:16:10.13:8,12:13:20.16:8,7:8:10.13:20.16| Show InChI InChI=1S/C20H23NO2/c1-23-10-4-2-9(3-5-10)6-7-21-19-15-11-8-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h2-5,11-19,22H,6-8H2,1H3 | PDB
Reactome pathway
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PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to Histamine H2 receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50401376
(CHEMBL2205812)Show SMILES COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1 |TLB:9:20:11.12:18,14:16:11.12:18,THB:10:11:20.16:18,19:20:10.13:8,11:10:20.16:8,13:12:20.16:18,17:16:10.13:8,12:13:20.16:8,7:8:10.13:20.16| Show InChI InChI=1S/C20H23NO2/c1-23-10-4-2-9(3-5-10)6-7-21-19-15-11-8-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h2-5,11-19,22H,6-8H2,1H3 | PDB
Reactome pathway
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PubMed
| 407 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to M3 muscarinic receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50401367
(CHEMBL2205829)Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccc2OCOc2c1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11| Show InChI InChI=1S/C19H19NO3/c21-19-16-9-4-8-12-13(9)17(19)15(12)18(14(8)16)20(19)5-7-1-2-10-11(3-7)23-6-22-10/h1-3,8-9,12-18,21H,4-6H2 | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 435 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50401376
(CHEMBL2205812)Show SMILES COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1 |TLB:9:20:11.12:18,14:16:11.12:18,THB:10:11:20.16:18,19:20:10.13:8,11:10:20.16:8,13:12:20.16:18,17:16:10.13:8,12:13:20.16:8,7:8:10.13:20.16| Show InChI InChI=1S/C20H23NO2/c1-23-10-4-2-9(3-5-10)6-7-21-19-15-11-8-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h2-5,11-19,22H,6-8H2,1H3 | PDB
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PubMed
| 470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to M4 muscarinic receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50401362
(CHEMBL2205836)Show SMILES COc1ccccc1CCN1C2C3C4C5C3C1(O)C1C5CC4C21 |TLB:11:22:13.14:20,16:18:13.14:20,THB:12:13:22.18:20,21:22:12.15:10,13:12:22.18:10,15:14:22.18:20,19:18:12.15:10,14:15:22.18:10,9:10:12.15:22.18| Show InChI InChI=1S/C20H23NO2/c1-23-12-5-3-2-4-9(12)6-7-21-19-15-10-8-11-14-13(10)16(19)18(14)20(21,22)17(11)15/h2-5,10-11,13-19,22H,6-8H2,1H3 | PDB
Reactome pathway
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PubMed
| 472 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to alpha1A adrenergic |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50288954
(11-benzyl-11-azahexacyclo[5.4.1.02,6.03,10.04,8.09...)Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccccc1 |TLB:3:2:12:11.7,4:5:12:11.7,10:11:12:2.5,8:7:12:2.5,THB:13:12:11.7:2.5| Show InChI InChI=1S/C18H19NO/c20-18-15-10-6-9-11-12(10)16(18)14(11)17(13(9)15)19(18)7-8-4-2-1-3-5-8/h1-5,9-17,20H,6-7H2 | PDB
Reactome pathway
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PubMed
| 488 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to kappa opioid receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50401384
(CHEMBL2205823)Show SMILES COc1ccccc1CN1C2C3C4C5C3C1(O)C1C5CC4C21 |TLB:10:21:12.13:19,15:17:12.13:19,THB:11:12:21.17:19,20:21:11.14:9,12:11:21.17:9,14:13:21.17:19,18:17:11.14:9,13:14:21.17:9,8:9:11.14:21.17| Show InChI InChI=1S/C19H21NO2/c1-22-11-5-3-2-4-8(11)7-20-18-14-9-6-10-13-12(9)15(18)17(13)19(20,21)16(10)14/h2-5,9-10,12-18,21H,6-7H2,1H3 | PDB
Reactome pathway
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PubMed
| 514 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to M4 muscarinic receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50401362
(CHEMBL2205836)Show SMILES COc1ccccc1CCN1C2C3C4C5C3C1(O)C1C5CC4C21 |TLB:11:22:13.14:20,16:18:13.14:20,THB:12:13:22.18:20,21:22:12.15:10,13:12:22.18:10,15:14:22.18:20,19:18:12.15:10,14:15:22.18:10,9:10:12.15:22.18| Show InChI InChI=1S/C20H23NO2/c1-23-12-5-3-2-4-9(12)6-7-21-19-15-10-8-11-14-13(10)16(19)18(14)20(21,22)17(11)15/h2-5,10-11,13-19,22H,6-8H2,1H3 | PDB
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 533 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to alpha2C adrenergic receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Homo sapiens (Human)) | BDBM50401384
(CHEMBL2205823)Show SMILES COc1ccccc1CN1C2C3C4C5C3C1(O)C1C5CC4C21 |TLB:10:21:12.13:19,15:17:12.13:19,THB:11:12:21.17:19,20:21:11.14:9,12:11:21.17:9,14:13:21.17:19,18:17:11.14:9,13:14:21.17:9,8:9:11.14:21.17| Show InChI InChI=1S/C19H21NO2/c1-22-11-5-3-2-4-8(11)7-20-18-14-9-6-10-13-12(9)15(18)17(13)19(20,21)16(10)14/h2-5,9-10,12-18,21H,6-7H2,1H3 | UniProtKB/SwissProt
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PubMed
| 536 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to alpha1B adrenergic receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50401362
(CHEMBL2205836)Show SMILES COc1ccccc1CCN1C2C3C4C5C3C1(O)C1C5CC4C21 |TLB:11:22:13.14:20,16:18:13.14:20,THB:12:13:22.18:20,21:22:12.15:10,13:12:22.18:10,15:14:22.18:20,19:18:12.15:10,14:15:22.18:10,9:10:12.15:22.18| Show InChI InChI=1S/C20H23NO2/c1-23-12-5-3-2-4-9(12)6-7-21-19-15-10-8-11-14-13(10)16(19)18(14)20(21,22)17(11)15/h2-5,10-11,13-19,22H,6-8H2,1H3 | PDB
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PubMed
| 543 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to M3 muscarinic receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50401362
(CHEMBL2205836)Show SMILES COc1ccccc1CCN1C2C3C4C5C3C1(O)C1C5CC4C21 |TLB:11:22:13.14:20,16:18:13.14:20,THB:12:13:22.18:20,21:22:12.15:10,13:12:22.18:10,15:14:22.18:20,19:18:12.15:10,14:15:22.18:10,9:10:12.15:22.18| Show InChI InChI=1S/C20H23NO2/c1-23-12-5-3-2-4-9(12)6-7-21-19-15-10-8-11-14-13(10)16(19)18(14)20(21,22)17(11)15/h2-5,10-11,13-19,22H,6-8H2,1H3 | PDB
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| 548 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to SERT |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50401384
(CHEMBL2205823)Show SMILES COc1ccccc1CN1C2C3C4C5C3C1(O)C1C5CC4C21 |TLB:10:21:12.13:19,15:17:12.13:19,THB:11:12:21.17:19,20:21:11.14:9,12:11:21.17:9,14:13:21.17:19,18:17:11.14:9,13:14:21.17:9,8:9:11.14:21.17| Show InChI InChI=1S/C19H21NO2/c1-22-11-5-3-2-4-8(11)7-20-18-14-9-6-10-13-12(9)15(18)17(13)19(20,21)16(10)14/h2-5,9-10,12-18,21H,6-7H2,1H3 | PDB
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| 552 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to M2 muscarinic receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50401361
(CHEMBL2205811)Show SMILES COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1 |TLB:10:21:12.13:19,15:17:12.13:19,THB:11:12:21.17:19,20:21:11.14:9,12:11:21.17:9,14:13:21.17:19,18:17:11.14:9,13:14:21.17:9,8:9:11.14:21.17| Show InChI InChI=1S/C20H23NO2/c1-23-10-4-2-3-9(7-10)5-6-21-19-15-11-8-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h2-4,7,11-19,22H,5-6,8H2,1H3 | PDB
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| 557 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to alpha2C adrenergic receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50401380
(CHEMBL2205828)Show SMILES COc1cc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc(OC)c1 |TLB:7:18:9.10:16,12:14:9.10:16,THB:8:9:18.14:16,17:18:8.11:6,9:8:18.14:6,11:10:18.14:16,15:14:8.11:6,10:11:18.14:6,5:6:8.11:18.14| Show InChI InChI=1S/C20H23NO3/c1-23-9-3-8(4-10(5-9)24-2)7-21-19-15-11-6-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h3-5,11-19,22H,6-7H2,1-2H3 | PDB
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PubMed
| 610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50401382
(CHEMBL2205825)Show SMILES COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1 |TLB:8:19:10.11:17,13:15:10.11:17,THB:9:10:19.15:17,18:19:9.12:7,10:9:19.15:7,12:11:19.15:17,16:15:9.12:7,11:12:19.15:7,6:7:9.12:19.15| Show InChI InChI=1S/C19H21NO2/c1-22-9-4-2-8(3-5-9)7-20-18-14-10-6-11-13-12(10)15(18)17(13)19(20,21)16(11)14/h2-5,10-18,21H,6-7H2,1H3 | PDB
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PubMed
| 617 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to kappa opioid receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50401382
(CHEMBL2205825)Show SMILES COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1 |TLB:8:19:10.11:17,13:15:10.11:17,THB:9:10:19.15:17,18:19:9.12:7,10:9:19.15:7,12:11:19.15:17,16:15:9.12:7,11:12:19.15:7,6:7:9.12:19.15| Show InChI InChI=1S/C19H21NO2/c1-22-9-4-2-8(3-5-9)7-20-18-14-10-6-11-13-12(10)15(18)17(13)19(20,21)16(11)14/h2-5,10-18,21H,6-7H2,1H3 | PDB
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PubMed
| 659 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to M4 muscarinic receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50401362
(CHEMBL2205836)Show SMILES COc1ccccc1CCN1C2C3C4C5C3C1(O)C1C5CC4C21 |TLB:11:22:13.14:20,16:18:13.14:20,THB:12:13:22.18:20,21:22:12.15:10,13:12:22.18:10,15:14:22.18:20,19:18:12.15:10,14:15:22.18:10,9:10:12.15:22.18| Show InChI InChI=1S/C20H23NO2/c1-23-12-5-3-2-4-9(12)6-7-21-19-15-10-8-11-14-13(10)16(19)18(14)20(21,22)17(11)15/h2-5,10-11,13-19,22H,6-8H2,1H3 | PDB
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| 666 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to M2 muscarinic receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50288954
(11-benzyl-11-azahexacyclo[5.4.1.02,6.03,10.04,8.09...)Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccccc1 |TLB:3:2:12:11.7,4:5:12:11.7,10:11:12:2.5,8:7:12:2.5,THB:13:12:11.7:2.5| Show InChI InChI=1S/C18H19NO/c20-18-15-10-6-9-11-12(10)16(18)14(11)17(13(9)15)19(18)7-8-4-2-1-3-5-8/h1-5,9-17,20H,6-7H2 | PDB
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| 682 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to alpha2C adrenergic receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50401362
(CHEMBL2205836)Show SMILES COc1ccccc1CCN1C2C3C4C5C3C1(O)C1C5CC4C21 |TLB:11:22:13.14:20,16:18:13.14:20,THB:12:13:22.18:20,21:22:12.15:10,13:12:22.18:10,15:14:22.18:20,19:18:12.15:10,14:15:22.18:10,9:10:12.15:22.18| Show InChI InChI=1S/C20H23NO2/c1-23-12-5-3-2-4-9(12)6-7-21-19-15-10-8-11-14-13(10)16(19)18(14)20(21,22)17(11)15/h2-5,10-11,13-19,22H,6-8H2,1H3 | PDB
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| 685 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to M4 muscarinic receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50401384
(CHEMBL2205823)Show SMILES COc1ccccc1CN1C2C3C4C5C3C1(O)C1C5CC4C21 |TLB:10:21:12.13:19,15:17:12.13:19,THB:11:12:21.17:19,20:21:11.14:9,12:11:21.17:9,14:13:21.17:19,18:17:11.14:9,13:14:21.17:9,8:9:11.14:21.17| Show InChI InChI=1S/C19H21NO2/c1-22-11-5-3-2-4-8(11)7-20-18-14-9-6-10-13-12(9)15(18)17(13)19(20,21)16(10)14/h2-5,9-10,12-18,21H,6-7H2,1H3 | PDB
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| 699 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to alpha2C adrenergic receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50401368
(CHEMBL2205813)Show SMILES COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1OC |TLB:10:21:12.13:19,15:17:12.13:19,THB:11:12:21.17:19,20:21:11.14:9,12:11:21.17:9,14:13:21.17:19,18:17:11.14:9,13:14:21.17:9,8:9:11.14:21.17| Show InChI InChI=1S/C21H25NO3/c1-24-12-5-3-4-9(20(12)25-2)6-7-22-19-15-10-8-11-14-13(10)16(19)18(14)21(22,23)17(11)15/h3-5,10-11,13-19,23H,6-8H2,1-2H3 | PDB
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| 743 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to Histamine H2 receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50401358
(CHEMBL2205817)Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2CCc1cccnc1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11| Show InChI InChI=1S/C18H20N2O/c21-18-15-10-6-9-11-12(10)16(18)14(11)17(13(9)15)20(18)5-3-8-2-1-4-19-7-8/h1-2,4,7,9-17,21H,3,5-6H2 | PDB
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PubMed
| 815 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50401362
(CHEMBL2205836)Show SMILES COc1ccccc1CCN1C2C3C4C5C3C1(O)C1C5CC4C21 |TLB:11:22:13.14:20,16:18:13.14:20,THB:12:13:22.18:20,21:22:12.15:10,13:12:22.18:10,15:14:22.18:20,19:18:12.15:10,14:15:22.18:10,9:10:12.15:22.18| Show InChI InChI=1S/C20H23NO2/c1-23-12-5-3-2-4-9(12)6-7-21-19-15-10-8-11-14-13(10)16(19)18(14)20(21,22)17(11)15/h2-5,10-11,13-19,22H,6-8H2,1H3 | PDB
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PubMed
| 835 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to 5-HT2C receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50288954
(11-benzyl-11-azahexacyclo[5.4.1.02,6.03,10.04,8.09...)Show SMILES OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccccc1 |TLB:3:2:12:11.7,4:5:12:11.7,10:11:12:2.5,8:7:12:2.5,THB:13:12:11.7:2.5| Show InChI InChI=1S/C18H19NO/c20-18-15-10-6-9-11-12(10)16(18)14(11)17(13(9)15)19(18)7-8-4-2-1-3-5-8/h1-5,9-17,20H,6-7H2 | PDB
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| 835 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Binding affinity to M2 muscarinic receptor |
Bioorg Med Chem Lett 22: 6053-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM |
More data for this
Ligand-Target Pair | |
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