Found 33 hits Enz. Inhib. hit(s) with all data for entry = 50033832 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)) | BDBM50352148
(CHEMBL1824789)Show SMILES Fc1cccc(CCN2C3CC4CC(C3)CC2C4)c1 |TLB:17:16:14:10.11.12,THB:17:11:8.16.15:14,12:11:8:15.13.14,12:13:8:10.17.11,7:8:14:10.11.12| Show InChI InChI=1S/C17H22FN/c18-15-3-1-2-12(7-15)4-5-19-16-8-13-6-14(10-16)11-17(19)9-13/h1-3,7,13-14,16-17H,4-6,8-11H2 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.30 | 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 sigma 1 receptor in guinea pig brain homogenates after 90 mins by scintillation counting |
Bioorg Med Chem Lett 21: 5289-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.028 BindingDB Entry DOI: 10.7270/Q2S46SCV |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50352149
(CHEMBL1824788)Show SMILES COc1ccc(CN2C3CC4CC(C3)CC2C4)cc1 |TLB:16:15:13:9.10.11,THB:16:10:7.15.14:13,11:10:7:14.12.13,11:12:7:9.16.10,6:7:13:9.10.11| Show InChI InChI=1S/C17H23NO/c1-19-17-4-2-12(3-5-17)11-18-15-7-13-6-14(9-15)10-16(18)8-13/h2-5,13-16H,6-11H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 12 | 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 sigma 1 receptor in guinea pig brain homogenates after 90 mins by scintillation counting |
Bioorg Med Chem Lett 21: 5289-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.028 BindingDB Entry DOI: 10.7270/Q2S46SCV |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50352151
(CHEMBL1824786)Show SMILES Fc1ccc(CN2C3CC4CC(C3)CC2C4)cc1 |TLB:15:14:12:8.9.10,THB:15:9:6.14.13:12,10:9:6:13.11.12,10:11:6:8.15.9,5:6:12:8.9.10| Show InChI InChI=1S/C16H20FN/c17-14-3-1-11(2-4-14)10-18-15-6-12-5-13(8-15)9-16(18)7-12/h1-4,12-13,15-16H,5-10H2 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 12 | 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 sigma 1 receptor in guinea pig brain homogenates after 90 mins by scintillation counting |
Bioorg Med Chem Lett 21: 5289-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.028 BindingDB Entry DOI: 10.7270/Q2S46SCV |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50352147
(CHEMBL1824790)Show SMILES Fc1ccc(CCN2C3CC4CC(C3)CC2C4)cc1 |TLB:16:15:13:9.10.11,THB:16:10:7.15.14:13,11:10:7:14.12.13,11:12:7:9.16.10,6:7:13:9.10.11| Show InChI InChI=1S/C17H22FN/c18-15-3-1-12(2-4-15)5-6-19-16-8-13-7-14(10-16)11-17(19)9-13/h1-4,13-14,16-17H,5-11H2 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 13 | 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 sigma 1 receptor in guinea pig brain homogenates after 90 mins by scintillation counting |
Bioorg Med Chem Lett 21: 5289-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.028 BindingDB Entry DOI: 10.7270/Q2S46SCV |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50352152
(CHEMBL1824785)Show SMILES Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1 |TLB:16:15:13:9.10.11,THB:16:10:7.15.14:13,11:10:7:14.12.13,11:12:7:9.16.10,6:7:13:9.10.11| Show InChI InChI=1S/C16H20FN/c17-14-3-1-2-11(5-14)10-18-15-6-12-4-13(8-15)9-16(18)7-12/h1-3,5,12-13,15-16H,4,6-10H2 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 22 | 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 sigma 1 receptor in guinea pig brain homogenates after 90 mins by scintillation counting |
Bioorg Med Chem Lett 21: 5289-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.028 BindingDB Entry DOI: 10.7270/Q2S46SCV |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50352153
(CHEMBL1824784)Show SMILES C(N1C2CC3CC(C2)CC1C3)c1ccccc1 |TLB:10:9:7:3.4.5,THB:10:4:1.9.8:7,5:4:1:8.6.7,5:6:1:3.10.4,0:1:7:3.4.5| Show InChI InChI=1S/C16H21N/c1-2-4-12(5-3-1)11-17-15-7-13-6-14(9-15)10-16(17)8-13/h1-5,13-16H,6-11H2 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 29 | 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 sigma 1 receptor in guinea pig brain homogenates after 90 mins by scintillation counting |
Bioorg Med Chem Lett 21: 5289-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.028 BindingDB Entry DOI: 10.7270/Q2S46SCV |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50352155
(CHEMBL1824782)Show SMILES OC12CC3CC(CC(C3)N1CCc1cccc(F)c1)C2 |TLB:8:7:19:2.3.4,8:3:9.7.6:19,4:5:9:2.8.3,THB:4:3:9:6.5.19,10:9:19:2.3.4| Show InChI InChI=1S/C17H22FNO/c18-15-3-1-2-12(7-15)4-5-19-16-8-13-6-14(9-16)11-17(19,20)10-13/h1-3,7,13-14,16,20H,4-6,8-11H2 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 234 | 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 sigma 1 receptor in guinea pig brain homogenates after 90 mins by scintillation counting |
Bioorg Med Chem Lett 21: 5289-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.028 BindingDB Entry DOI: 10.7270/Q2S46SCV |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50352150
(CHEMBL1824787)Show SMILES COc1cccc(CN2C3CC4CC(C3)CC2C4)c1 |TLB:17:16:14:10.11.12,THB:17:11:8.16.15:14,12:11:8:15.13.14,12:13:8:10.17.11,7:8:14:10.11.12| Show InChI InChI=1S/C17H23NO/c1-19-17-4-2-3-12(10-17)11-18-15-6-13-5-14(8-15)9-16(18)7-13/h2-4,10,13-16H,5-9,11H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 239 | 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 sigma 1 receptor in guinea pig brain homogenates after 90 mins by scintillation counting |
Bioorg Med Chem Lett 21: 5289-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.028 BindingDB Entry DOI: 10.7270/Q2S46SCV |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50352154
(CHEMBL1824783)Show SMILES OC12CC3CC(CC(C3)N1CCc1ccc(F)cc1)C2 |TLB:8:7:19:2.3.4,8:3:9.7.6:19,4:5:9:2.8.3,THB:4:3:9:6.5.19,10:9:19:2.3.4| Show InChI InChI=1S/C17H22FNO/c18-15-3-1-12(2-4-15)5-6-19-16-8-13-7-14(9-16)11-17(19,20)10-13/h1-4,13-14,16,20H,5-11H2 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 246 | 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 sigma 1 receptor in guinea pig brain homogenates after 90 mins by scintillation counting |
Bioorg Med Chem Lett 21: 5289-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.028 BindingDB Entry DOI: 10.7270/Q2S46SCV |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50352158
(CHEMBL1824779)Show SMILES OC12CC3CC(CC(C3)N1Cc1ccc(F)cc1)C2 |TLB:8:7:18:2.3.4,8:3:9.7.6:18,4:5:9:2.8.3,THB:4:3:9:6.5.18,10:9:18:2.3.4| Show InChI InChI=1S/C16H20FNO/c17-14-3-1-11(2-4-14)10-18-15-6-12-5-13(7-15)9-16(18,19)8-12/h1-4,12-13,15,19H,5-10H2 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 650 | 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 sigma 1 receptor in guinea pig brain homogenates after 90 mins by scintillation counting |
Bioorg Med Chem Lett 21: 5289-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.028 BindingDB Entry DOI: 10.7270/Q2S46SCV |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50352160
(CHEMBL1824777)Show SMILES OC12CC3CC(CC(C3)N1Cc1ccccc1)C2 |TLB:8:7:17:2.3.4,8:3:9.7.6:17,4:5:9:2.8.3,THB:4:3:9:6.5.17,10:9:17:2.3.4| Show InChI InChI=1S/C16H21NO/c18-16-9-13-6-14(10-16)8-15(7-13)17(16)11-12-4-2-1-3-5-12/h1-5,13-15,18H,6-11H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 662 | 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 Inhibition of kappa opioid receptor by NIMH PDSP |
Bioorg Med Chem Lett 21: 5289-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.028 BindingDB Entry DOI: 10.7270/Q2S46SCV |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50352159
(CHEMBL1824778)Show SMILES OC12CC3CC(CC(C3)N1Cc1cccc(F)c1)C2 |TLB:8:7:18:2.3.4,8:3:9.7.6:18,4:5:9:2.8.3,THB:4:3:9:6.5.18,10:9:18:2.3.4| Show InChI InChI=1S/C16H20FNO/c17-14-3-1-2-11(5-14)10-18-15-6-12-4-13(7-15)9-16(18,19)8-12/h1-3,5,12-13,15,19H,4,6-10H2 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 862 | 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 sigma 1 receptor in guinea pig brain homogenates after 90 mins by scintillation counting |
Bioorg Med Chem Lett 21: 5289-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.028 BindingDB Entry DOI: 10.7270/Q2S46SCV |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50352159
(CHEMBL1824778)Show SMILES OC12CC3CC(CC(C3)N1Cc1cccc(F)c1)C2 |TLB:8:7:18:2.3.4,8:3:9.7.6:18,4:5:9:2.8.3,THB:4:3:9:6.5.18,10:9:18:2.3.4| Show InChI InChI=1S/C16H20FNO/c17-14-3-1-2-11(5-14)10-18-15-6-12-4-13(7-15)9-16(18,19)8-12/h1-3,5,12-13,15,19H,4,6-10H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.20E+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 Inhibition of kappa opioid receptor by NIMH PDSP |
Bioorg Med Chem Lett 21: 5289-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.028 BindingDB Entry DOI: 10.7270/Q2S46SCV |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50352156
(CHEMBL1824781)Show SMILES COc1ccc(CN2C3CC4CC(C3)CC2(O)C4)cc1 |TLB:9:10:7.8.13:14,6:7:14:17.10.11,THB:9:8:14:17.10.11,11:10:7:13.12.14,11:12:7:17.9.10| Show InChI InChI=1S/C17H23NO2/c1-20-16-4-2-12(3-5-16)11-18-15-7-13-6-14(8-15)10-17(18,19)9-13/h2-5,13-15,19H,6-11H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.24E+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 sigma 1 receptor in guinea pig brain homogenates after 90 mins by scintillation counting |
Bioorg Med Chem Lett 21: 5289-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.028 BindingDB Entry DOI: 10.7270/Q2S46SCV |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50352152
(CHEMBL1824785)Show SMILES Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1 |TLB:16:15:13:9.10.11,THB:16:10:7.15.14:13,11:10:7:14.12.13,11:12:7:9.16.10,6:7:13:9.10.11| Show InChI InChI=1S/C16H20FN/c17-14-3-1-2-11(5-14)10-18-15-6-12-4-13(8-15)9-16(18)7-12/h1-3,5,12-13,15-16H,4,6-10H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.36E+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 Inhibition of M4 muscarinic receptor by NIMH PDSP |
Bioorg Med Chem Lett 21: 5289-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.028 BindingDB Entry DOI: 10.7270/Q2S46SCV |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50352160
(CHEMBL1824777)Show SMILES OC12CC3CC(CC(C3)N1Cc1ccccc1)C2 |TLB:8:7:17:2.3.4,8:3:9.7.6:17,4:5:9:2.8.3,THB:4:3:9:6.5.17,10:9:17:2.3.4| Show InChI InChI=1S/C16H21NO/c18-16-9-13-6-14(10-16)8-15(7-13)17(16)11-12-4-2-1-3-5-12/h1-5,13-15,18H,6-11H2 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.45E+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 sigma 1 receptor in guinea pig brain homogenates after 90 mins by scintillation counting |
Bioorg Med Chem Lett 21: 5289-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.028 BindingDB Entry DOI: 10.7270/Q2S46SCV |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50352153
(CHEMBL1824784)Show SMILES C(N1C2CC3CC(C2)CC1C3)c1ccccc1 |TLB:10:9:7:3.4.5,THB:10:4:1.9.8:7,5:4:1:8.6.7,5:6:1:3.10.4,0:1:7:3.4.5| Show InChI InChI=1S/C16H21N/c1-2-4-12(5-3-1)11-17-15-7-13-6-14(9-15)10-16(17)8-13/h1-5,13-16H,6-11H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.78E+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 Inhibition of M4 muscarinic receptor by NIMH PDSP |
Bioorg Med Chem Lett 21: 5289-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.028 BindingDB Entry DOI: 10.7270/Q2S46SCV |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50352157
(CHEMBL1824780)Show SMILES COc1cccc(CN2C3CC4CC(C3)CC2(O)C4)c1 |TLB:10:11:8.9.14:15,7:8:15:18.11.12,THB:10:9:15:18.11.12,12:11:8:14.13.15,12:13:8:18.10.11| Show InChI InChI=1S/C17H23NO2/c1-20-16-4-2-3-12(8-16)11-18-15-6-13-5-14(7-15)10-17(18,19)9-13/h2-4,8,13-15,19H,5-7,9-11H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.95E+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 sigma 1 receptor in guinea pig brain homogenates after 90 mins by scintillation counting |
Bioorg Med Chem Lett 21: 5289-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.028 BindingDB Entry DOI: 10.7270/Q2S46SCV |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50352152
(CHEMBL1824785)Show SMILES Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1 |TLB:16:15:13:9.10.11,THB:16:10:7.15.14:13,11:10:7:14.12.13,11:12:7:9.16.10,6:7:13:9.10.11| Show InChI InChI=1S/C16H20FN/c17-14-3-1-2-11(5-14)10-18-15-6-12-4-13(8-15)9-16(18)7-12/h1-3,5,12-13,15-16H,4,6-10H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.54E+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 Inhibition of M2 muscarinic receptor by NIMH PDSP |
Bioorg Med Chem Lett 21: 5289-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.028 BindingDB Entry DOI: 10.7270/Q2S46SCV |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50352153
(CHEMBL1824784)Show SMILES C(N1C2CC3CC(C2)CC1C3)c1ccccc1 |TLB:10:9:7:3.4.5,THB:10:4:1.9.8:7,5:4:1:8.6.7,5:6:1:3.10.4,0:1:7:3.4.5| Show InChI InChI=1S/C16H21N/c1-2-4-12(5-3-1)11-17-15-7-13-6-14(9-15)10-16(17)8-13/h1-5,13-16H,6-11H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.30E+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 Inhibition of M2 muscarinic receptor by NIMH PDSP |
Bioorg Med Chem Lett 21: 5289-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.028 BindingDB Entry DOI: 10.7270/Q2S46SCV |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50352152
(CHEMBL1824785)Show SMILES Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1 |TLB:16:15:13:9.10.11,THB:16:10:7.15.14:13,11:10:7:14.12.13,11:12:7:9.16.10,6:7:13:9.10.11| Show InChI InChI=1S/C16H20FN/c17-14-3-1-2-11(5-14)10-18-15-6-12-4-13(8-15)9-16(18)7-12/h1-3,5,12-13,15-16H,4,6-10H2 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.48E+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 Inhibition of M5 muscarinic receptor by NIMH PDSP |
Bioorg Med Chem Lett 21: 5289-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.028 BindingDB Entry DOI: 10.7270/Q2S46SCV |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50352153
(CHEMBL1824784)Show SMILES C(N1C2CC3CC(C2)CC1C3)c1ccccc1 |TLB:10:9:7:3.4.5,THB:10:4:1.9.8:7,5:4:1:8.6.7,5:6:1:3.10.4,0:1:7:3.4.5| Show InChI InChI=1S/C16H21N/c1-2-4-12(5-3-1)11-17-15-7-13-6-14(9-15)10-16(17)8-13/h1-5,13-16H,6-11H2 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.55E+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 Inhibition of M5 muscarinic receptor by NIMH PDSP |
Bioorg Med Chem Lett 21: 5289-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.028 BindingDB Entry DOI: 10.7270/Q2S46SCV |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50352152
(CHEMBL1824785)Show SMILES Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1 |TLB:16:15:13:9.10.11,THB:16:10:7.15.14:13,11:10:7:14.12.13,11:12:7:9.16.10,6:7:13:9.10.11| Show InChI InChI=1S/C16H20FN/c17-14-3-1-2-11(5-14)10-18-15-6-12-4-13(8-15)9-16(18)7-12/h1-3,5,12-13,15-16H,4,6-10H2 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+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 Inhibition of NET transporter by NIMH PDSP |
Bioorg Med Chem Lett 21: 5289-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.028 BindingDB Entry DOI: 10.7270/Q2S46SCV |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50352153
(CHEMBL1824784)Show SMILES C(N1C2CC3CC(C2)CC1C3)c1ccccc1 |TLB:10:9:7:3.4.5,THB:10:4:1.9.8:7,5:4:1:8.6.7,5:6:1:3.10.4,0:1:7:3.4.5| Show InChI InChI=1S/C16H21N/c1-2-4-12(5-3-1)11-17-15-7-13-6-14(9-15)10-16(17)8-13/h1-5,13-16H,6-11H2 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+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 Inhibition of NET transporter by NIMH PDSP |
Bioorg Med Chem Lett 21: 5289-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.028 BindingDB Entry DOI: 10.7270/Q2S46SCV |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50352159
(CHEMBL1824778)Show SMILES OC12CC3CC(CC(C3)N1Cc1cccc(F)c1)C2 |TLB:8:7:18:2.3.4,8:3:9.7.6:18,4:5:9:2.8.3,THB:4:3:9:6.5.18,10:9:18:2.3.4| Show InChI InChI=1S/C16H20FNO/c17-14-3-1-2-11(5-14)10-18-15-6-12-4-13(7-15)9-16(18,19)8-12/h1-3,5,12-13,15,19H,4,6-10H2 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+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 Inhibition of NET transporter by NIMH PDSP |
Bioorg Med Chem Lett 21: 5289-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.028 BindingDB Entry DOI: 10.7270/Q2S46SCV |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50352152
(CHEMBL1824785)Show SMILES Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1 |TLB:16:15:13:9.10.11,THB:16:10:7.15.14:13,11:10:7:14.12.13,11:12:7:9.16.10,6:7:13:9.10.11| Show InChI InChI=1S/C16H20FN/c17-14-3-1-2-11(5-14)10-18-15-6-12-4-13(8-15)9-16(18)7-12/h1-3,5,12-13,15-16H,4,6-10H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+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 Inhibition of D1 dopamine receptor by NIMH PDSP |
Bioorg Med Chem Lett 21: 5289-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.028 BindingDB Entry DOI: 10.7270/Q2S46SCV |
More data for this Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50352160
(CHEMBL1824777)Show SMILES OC12CC3CC(CC(C3)N1Cc1ccccc1)C2 |TLB:8:7:17:2.3.4,8:3:9.7.6:17,4:5:9:2.8.3,THB:4:3:9:6.5.17,10:9:17:2.3.4| Show InChI InChI=1S/C16H21NO/c18-16-9-13-6-14(10-16)8-15(7-13)17(16)11-12-4-2-1-3-5-12/h1-5,13-15,18H,6-11H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+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 Inhibition of alpha-2A adrenergic receptor by NIMH PDSP |
Bioorg Med Chem Lett 21: 5289-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.028 BindingDB Entry DOI: 10.7270/Q2S46SCV |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50352152
(CHEMBL1824785)Show SMILES Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1 |TLB:16:15:13:9.10.11,THB:16:10:7.15.14:13,11:10:7:14.12.13,11:12:7:9.16.10,6:7:13:9.10.11| Show InChI InChI=1S/C16H20FN/c17-14-3-1-2-11(5-14)10-18-15-6-12-4-13(8-15)9-16(18)7-12/h1-3,5,12-13,15-16H,4,6-10H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+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 Inhibition of alpha-1A adrenergic receptor by NIMH PDSP |
Bioorg Med Chem Lett 21: 5289-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.028 BindingDB Entry DOI: 10.7270/Q2S46SCV |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50352159
(CHEMBL1824778)Show SMILES OC12CC3CC(CC(C3)N1Cc1cccc(F)c1)C2 |TLB:8:7:18:2.3.4,8:3:9.7.6:18,4:5:9:2.8.3,THB:4:3:9:6.5.18,10:9:18:2.3.4| Show InChI InChI=1S/C16H20FNO/c17-14-3-1-2-11(5-14)10-18-15-6-12-4-13(7-15)9-16(18,19)8-12/h1-3,5,12-13,15,19H,4,6-10H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| <1.00E+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 Inhibition of H1 receptor by NIMH PDSP |
Bioorg Med Chem Lett 21: 5289-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.028 BindingDB Entry DOI: 10.7270/Q2S46SCV |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50352153
(CHEMBL1824784)Show SMILES C(N1C2CC3CC(C2)CC1C3)c1ccccc1 |TLB:10:9:7:3.4.5,THB:10:4:1.9.8:7,5:4:1:8.6.7,5:6:1:3.10.4,0:1:7:3.4.5| Show InChI InChI=1S/C16H21N/c1-2-4-12(5-3-1)11-17-15-7-13-6-14(9-15)10-16(17)8-13/h1-5,13-16H,6-11H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| <1.00E+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 Inhibition of H1 receptor by NIMH PDSP |
Bioorg Med Chem Lett 21: 5289-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.028 BindingDB Entry DOI: 10.7270/Q2S46SCV |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50352160
(CHEMBL1824777)Show SMILES OC12CC3CC(CC(C3)N1Cc1ccccc1)C2 |TLB:8:7:17:2.3.4,8:3:9.7.6:17,4:5:9:2.8.3,THB:4:3:9:6.5.17,10:9:17:2.3.4| Show InChI InChI=1S/C16H21NO/c18-16-9-13-6-14(10-16)8-15(7-13)17(16)11-12-4-2-1-3-5-12/h1-5,13-15,18H,6-11H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| <1.00E+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 Inhibition of H1 receptor by NIMH PDSP |
Bioorg Med Chem Lett 21: 5289-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.028 BindingDB Entry DOI: 10.7270/Q2S46SCV |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50352152
(CHEMBL1824785)Show SMILES Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1 |TLB:16:15:13:9.10.11,THB:16:10:7.15.14:13,11:10:7:14.12.13,11:12:7:9.16.10,6:7:13:9.10.11| Show InChI InChI=1S/C16H20FN/c17-14-3-1-2-11(5-14)10-18-15-6-12-4-13(8-15)9-16(18)7-12/h1-3,5,12-13,15-16H,4,6-10H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| <1.00E+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 Inhibition of H1 receptor by NIMH PDSP |
Bioorg Med Chem Lett 21: 5289-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.028 BindingDB Entry DOI: 10.7270/Q2S46SCV |
More data for this Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(Homo sapiens (Human)) | BDBM50352160
(CHEMBL1824777)Show SMILES OC12CC3CC(CC(C3)N1Cc1ccccc1)C2 |TLB:8:7:17:2.3.4,8:3:9.7.6:17,4:5:9:2.8.3,THB:4:3:9:6.5.17,10:9:17:2.3.4| Show InChI InChI=1S/C16H21NO/c18-16-9-13-6-14(10-16)8-15(7-13)17(16)11-12-4-2-1-3-5-12/h1-5,13-15,18H,6-11H2 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+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 Inhibition of alpha-2B adrenergic receptor by NIMH PDSP |
Bioorg Med Chem Lett 21: 5289-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.028 BindingDB Entry DOI: 10.7270/Q2S46SCV |
More data for this Ligand-Target Pair | |