Found 232 hits with Last Name = 'manoli' 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 |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50390197
(CHEMBL1917286)Show InChI InChI=1S/C22H25FN2O2/c23-9-14-26-20-7-5-18(6-8-20)16-24-10-12-25(13-11-24)17-21-15-19-3-1-2-4-22(19)27-21/h1-8,15H,9-14,16-17H2 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0500 | 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 sigma1 receptor in guinea pig brain homogenate |
Bioorg Med Chem Lett 22: 5493-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50390205
(CHEMBL2069863)Show InChI InChI=1S/C23H27FN2O2/c24-10-15-27-21-8-6-19(7-9-21)17-25-11-3-12-26(14-13-25)18-22-16-20-4-1-2-5-23(20)28-22/h1-2,4-9,16H,3,10-15,17-18H2 | PDB
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 |
The University of Sydney
Curated by ChEMBL
| Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain homogenate |
Bioorg Med Chem Lett 22: 5493-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50390207
(CHEMBL2069865)Show InChI InChI=1S/C24H29FN2O2/c25-11-3-16-28-22-9-7-20(8-10-22)18-26-12-4-13-27(15-14-26)19-23-17-21-5-1-2-6-24(21)29-23/h1-2,5-10,17H,3-4,11-16,18-19H2 | PDB
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 |
The University of Sydney
Curated by ChEMBL
| Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain homogenate |
Bioorg Med Chem Lett 22: 5493-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50390206
(CHEMBL2069864)Show InChI InChI=1S/C24H30N2O2/c1-2-16-27-22-10-8-20(9-11-22)18-25-12-5-13-26(15-14-25)19-23-17-21-6-3-4-7-24(21)28-23/h3-4,6-11,17H,2,5,12-16,18-19H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.152 | 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 sigma1 receptor in guinea pig brain homogenate |
Bioorg Med Chem Lett 22: 5493-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50324100
(CHEMBL1214830 | N-((Benzofuran-2-yl)methyl)-N'-(4'...)Show InChI InChI=1S/C21H24N2O2/c1-24-19-8-6-17(7-9-19)15-22-10-12-23(13-11-22)16-20-14-18-4-2-3-5-21(18)25-20/h2-9,14H,10-13,15-16H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.180 | 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 sigma1 receptor in guinea pig brain homogenate |
Bioorg Med Chem Lett 22: 5493-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50324097
(CHEMBL1214831 | N-(Benzofuran-2-ylmethyl)-N'-(4'-e...)Show InChI InChI=1S/C22H26N2O2/c1-2-25-20-9-7-18(8-10-20)16-23-11-13-24(14-12-23)17-21-15-19-5-3-4-6-22(19)26-21/h3-10,15H,2,11-14,16-17H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.180 | 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 sigma1 receptor in guinea pig brain homogenate |
Bioorg Med Chem Lett 22: 5493-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50390204
(CHEMBL2069862)Show InChI InChI=1S/C23H28N2O2/c1-2-26-21-10-8-19(9-11-21)17-24-12-5-13-25(15-14-24)18-22-16-20-6-3-4-7-23(20)27-22/h3-4,6-11,16H,2,5,12-15,17-18H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.194 | 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 sigma1 receptor in guinea pig brain homogenate |
Bioorg Med Chem Lett 22: 5493-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50390203
(CHEMBL2069861)Show InChI InChI=1S/C22H26N2O2/c1-25-20-9-7-18(8-10-20)16-23-11-4-12-24(14-13-23)17-21-15-19-5-2-3-6-22(19)26-21/h2-3,5-10,15H,4,11-14,16-17H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.540 | 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 sigma1 receptor in guinea pig brain homogenate |
Bioorg Med Chem Lett 22: 5493-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50374598
(CHEMBL272603 | US9604926, Compound CM-156 | US9724...)Show InChI InChI=1S/C21H31N3S2/c25-21-24(19-10-4-5-11-20(19)26-21)13-7-6-12-22-14-16-23(17-15-22)18-8-2-1-3-9-18/h4-5,10-11,18H,1-3,6-9,12-17H2 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.30 | 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 sigma1 receptor in rat brain homogenate after 120 mins |
Bioorg Med Chem Lett 22: 5493-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50068454
(1-[2-(3-Methoxy-phenyl)-ethyl]-4-(3-phenyl-propyl)...)Show InChI InChI=1S/C22H30N2O/c1-25-22-11-5-9-21(19-22)12-14-24-17-15-23(16-18-24)13-6-10-20-7-3-2-4-8-20/h2-5,7-9,11,19H,6,10,12-18H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.40 | 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 sigma1 receptor |
Bioorg Med Chem Lett 22: 5493-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50324086
(CHEMBL1214893 | N-(Benzofuran-2-ylmethyl)-N'-(4'-(...)Show InChI InChI=1S/C23H27FN2O2/c24-10-3-15-27-21-8-6-19(7-9-21)17-25-11-13-26(14-12-25)18-22-16-20-4-1-2-5-23(20)28-22/h1-2,4-9,16H,3,10-15,17-18H2 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.61 | 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 sigma1 receptor in guinea pig brain homogenate |
Bioorg Med Chem Lett 22: 5493-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK |
More data for this Ligand-Target Pair | |
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
(Cavia porcellus (Guinea pig)) | 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 Binding affinity to sigma1 receptor in guinea pig brain homogenate |
Bioorg Med Chem Lett 22: 5493-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK |
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
(Homo sapiens (Human)) | BDBM50125096
(1,4-Dibenzyl-piperazine | 1,4-Dibenzyl-piperazine,...)Show InChI InChI=1S/C18H22N2/c1-3-7-17(8-4-1)15-19-11-13-20(14-12-19)16-18-9-5-2-6-10-18/h1-10H,11-16H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 5.81 | 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 sigma1 receptor |
Bioorg Med Chem Lett 22: 5493-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50390200
(CHEMBL2069964)Show InChI InChI=1S/C21H23FN2O2/c22-9-12-25-19-7-5-17(6-8-19)14-23-10-11-24(16-23)15-20-13-18-3-1-2-4-21(18)26-20/h1-8,13H,9-12,14-16H2 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.45 | 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 sigma1 receptor in guinea pig brain homogenate |
Bioorg Med Chem Lett 22: 5493-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK |
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
(Cavia porcellus (Guinea pig)) | BDBM50324085
(CHEMBL1214892 | N-(Benzofuran-2-ylmethyl)-N'-(4'-p...)Show InChI InChI=1S/C23H28N2O2/c1-2-15-26-21-9-7-19(8-10-21)17-24-11-13-25(14-12-24)18-22-16-20-5-3-4-6-23(20)27-22/h3-10,16H,2,11-15,17-18H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 10.3 | 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 sigma1 receptor in guinea pig brain homogenate |
Bioorg Med Chem Lett 22: 5493-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK |
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) | 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) | 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
(Cavia porcellus (Guinea pig)) | BDBM50390199
(CHEMBL2069963)Show InChI InChI=1S/C21H24N2O2/c1-2-24-19-9-7-17(8-10-19)14-22-11-12-23(16-22)15-20-13-18-5-3-4-6-21(18)25-20/h3-10,13H,2,11-12,14-16H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 19.3 | 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 sigma1 receptor in guinea pig brain homogenate |
Bioorg Med Chem Lett 22: 5493-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50390202
(CHEMBL2069966)Show InChI InChI=1S/C22H25FN2O2/c23-10-3-13-26-20-8-6-18(7-9-20)15-24-11-12-25(17-24)16-21-14-19-4-1-2-5-22(19)27-21/h1-2,4-9,14H,3,10-13,15-17H2 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 20.8 | 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 sigma1 receptor in guinea pig brain homogenate |
Bioorg Med Chem Lett 22: 5493-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK |
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
(Homo sapiens (Human)) | BDBM50048867
(1-Benzyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-naphth...)Show InChI InChI=1S/C25H34N2O/c1-28-25-14-6-12-23-22(10-5-13-24(23)25)11-7-15-26-16-18-27(19-17-26)20-21-8-3-2-4-9-21/h2-4,6,8-9,12,14,22H,5,7,10-11,13,15-20H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 34.4 | 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 sigma1 receptor |
Bioorg Med Chem Lett 22: 5493-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50390198
(CHEMBL2069962)Show InChI InChI=1S/C20H22N2O2/c1-23-18-8-6-16(7-9-18)13-21-10-11-22(15-21)14-19-12-17-4-2-3-5-20(17)24-19/h2-9,12H,10-11,13-15H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 43 | 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 sigma1 receptor in guinea pig brain homogenate |
Bioorg Med Chem Lett 22: 5493-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK |
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
(Cavia porcellus (Guinea pig)) | BDBM50390201
(CHEMBL2069965)Show InChI InChI=1S/C22H26N2O2/c1-2-13-25-20-9-7-18(8-10-20)15-23-11-12-24(17-23)16-21-14-19-5-3-4-6-22(19)26-21/h3-10,14H,2,11-13,15-17H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 53.5 | 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 sigma1 receptor in guinea pig brain homogenate |
Bioorg Med Chem Lett 22: 5493-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK |
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
GoogleScholar AffyNet
| 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 KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid 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
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| 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
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| 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
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| 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
GoogleScholar AffyNet
| 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
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article 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
GoogleScholar AffyNet
| 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
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article 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 KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article 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 KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article 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
GoogleScholar AffyNet
| 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
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article 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 | |