Found 28 hits with Last Name = 'bermúdez' and Initial = 'i' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50209213
((S)-9-Hydroxy-1,2,10-trimethoxy-6,6-dimethyl-5,6,6...)Show SMILES COc1cc-2c(C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(OC)c-24)cc1O Show InChI InChI=1S/C21H25NO4/c1-22(2)7-6-12-10-18(25-4)21(26-5)20-14-11-17(24-3)16(23)9-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/p+1/t15-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 910 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chile
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in SH-EP1 cells |
Bioorg Med Chem 15: 3368-72 (2007)
Article DOI: 10.1016/j.bmc.2007.03.023 BindingDB Entry DOI: 10.7270/Q2G73DDV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50209215
(CHEMBL225851 | predicentrine methiodide)Show SMILES COc1cc2C[C@H]3c4c(CC[N+]3(C)C)cc(O)c(OC)c4-c2cc1OC Show InChI InChI=1S/C21H25NO4/c1-22(2)7-6-12-9-16(23)21(26-5)20-14-11-18(25-4)17(24-3)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/p+1/t15-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 970 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chile
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in SH-EP1 cells |
Bioorg Med Chem 15: 3368-72 (2007)
Article DOI: 10.1016/j.bmc.2007.03.023 BindingDB Entry DOI: 10.7270/Q2G73DDV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50209214
(CHEMBL388341 | boldine methiodide)Show SMILES COc1cc-2c(C[C@H]3c4c(CC[N+]3(C)C)cc(O)c(OC)c-24)cc1O Show InChI InChI=1S/C20H23NO4/c1-21(2)6-5-11-8-16(23)20(25-4)19-13-10-17(24-3)15(22)9-12(13)7-14(21)18(11)19/h8-10,14H,5-7H2,1-4H3,(H-,22,23)/p+1/t14-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chile
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in SH-EP1 cells |
Bioorg Med Chem 15: 3368-72 (2007)
Article DOI: 10.1016/j.bmc.2007.03.023 BindingDB Entry DOI: 10.7270/Q2G73DDV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50202318
((+)-boldine | (S)-(+)-Boldine | (S)-1,10-dimethoxy...)Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4cc(O)c(OC)c-2c34)cc1O |r| Show InChI InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chile
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in SH-EP1 cells |
Bioorg Med Chem 15: 3368-72 (2007)
Article DOI: 10.1016/j.bmc.2007.03.023 BindingDB Entry DOI: 10.7270/Q2G73DDV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50209212
(CHEMBL225852 | cid_14262872 | glaucine methiodide)Show SMILES COc1cc2C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(OC)c4-c2cc1OC Show InChI InChI=1S/C22H28NO4/c1-23(2)8-7-13-10-19(26-5)22(27-6)21-15-12-18(25-4)17(24-3)11-14(15)9-16(23)20(13)21/h10-12,16H,7-9H2,1-6H3/q+1/t16-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia 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 |
University of Chile
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in SH-EP1 cells |
Bioorg Med Chem 15: 3368-72 (2007)
Article DOI: 10.1016/j.bmc.2007.03.023 BindingDB Entry DOI: 10.7270/Q2G73DDV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50209213
((S)-9-Hydroxy-1,2,10-trimethoxy-6,6-dimethyl-5,6,6...)Show SMILES COc1cc-2c(C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(OC)c-24)cc1O Show InChI InChI=1S/C21H25NO4/c1-22(2)7-6-12-10-18(25-4)21(26-5)20-14-11-17(24-3)16(23)9-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/p+1/t15-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE 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 |
University of Chile
Curated by ChEMBL
| Assay Description Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR expressed in SH-SY5Y cells |
Bioorg Med Chem 15: 3368-72 (2007)
Article DOI: 10.1016/j.bmc.2007.03.023 BindingDB Entry DOI: 10.7270/Q2G73DDV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50209214
(CHEMBL388341 | boldine methiodide)Show SMILES COc1cc-2c(C[C@H]3c4c(CC[N+]3(C)C)cc(O)c(OC)c-24)cc1O Show InChI InChI=1S/C20H23NO4/c1-21(2)6-5-11-8-16(23)20(25-4)19-13-10-17(24-3)15(22)9-12(13)7-14(21)18(11)19/h8-10,14H,5-7H2,1-4H3,(H-,22,23)/p+1/t14-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chile
Curated by ChEMBL
| Assay Description Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR expressed in SH-SY5Y cells |
Bioorg Med Chem 15: 3368-72 (2007)
Article DOI: 10.1016/j.bmc.2007.03.023 BindingDB Entry DOI: 10.7270/Q2G73DDV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50209212
(CHEMBL225852 | cid_14262872 | glaucine methiodide)Show SMILES COc1cc2C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(OC)c4-c2cc1OC Show InChI InChI=1S/C22H28NO4/c1-23(2)8-7-13-10-19(26-5)22(27-6)21-15-12-18(25-4)17(24-3)11-14(15)9-16(23)20(13)21/h10-12,16H,7-9H2,1-6H3/q+1/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chile
Curated by ChEMBL
| Assay Description Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR expressed in SH-SY5Y cells |
Bioorg Med Chem 15: 3368-72 (2007)
Article DOI: 10.1016/j.bmc.2007.03.023 BindingDB Entry DOI: 10.7270/Q2G73DDV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50209215
(CHEMBL225851 | predicentrine methiodide)Show SMILES COc1cc2C[C@H]3c4c(CC[N+]3(C)C)cc(O)c(OC)c4-c2cc1OC Show InChI InChI=1S/C21H25NO4/c1-22(2)7-6-12-9-16(23)21(26-5)20-14-11-18(25-4)17(24-3)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/p+1/t15-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chile
Curated by ChEMBL
| Assay Description Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR expressed in SH-SY5Y cells |
Bioorg Med Chem 15: 3368-72 (2007)
Article DOI: 10.1016/j.bmc.2007.03.023 BindingDB Entry DOI: 10.7270/Q2G73DDV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50202340
((S)-3-bromo-1,10-dimethoxy-6-methyl-5,6,6a,7-tetra...)Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4c(Br)c(O)c(OC)c-2c34)cc1O |r| Show InChI InChI=1S/C19H20BrNO4/c1-21-5-4-10-15-12(21)6-9-7-13(22)14(24-2)8-11(9)16(15)19(25-3)18(23)17(10)20/h7-8,12,22-23H,4-6H2,1-3H3/t12-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chile
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in SH-EP1 cells |
Bioorg Med Chem 15: 3368-72 (2007)
Article DOI: 10.1016/j.bmc.2007.03.023 BindingDB Entry DOI: 10.7270/Q2G73DDV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50209211
(3,8-dibromoboldine | CHEMBL388564)Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4c(Br)c(O)c(OC)c-2c34)c(Br)c1O |r| Show InChI InChI=1S/C19H19Br2NO4/c1-22-5-4-8-13-11(22)6-10-9(7-12(25-2)17(23)16(10)21)14(13)19(26-3)18(24)15(8)20/h7,11,23-24H,4-6H2,1-3H3/t11-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chile
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in SH-EP1 cells |
Bioorg Med Chem 15: 3368-72 (2007)
Article DOI: 10.1016/j.bmc.2007.03.023 BindingDB Entry DOI: 10.7270/Q2G73DDV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50202318
((+)-boldine | (S)-(+)-Boldine | (S)-1,10-dimethoxy...)Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4cc(O)c(OC)c-2c34)cc1O |r| Show InChI InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 6.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chile
Curated by ChEMBL
| Assay Description Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR expressed in SH-SY5Y cells |
Bioorg Med Chem 15: 3368-72 (2007)
Article DOI: 10.1016/j.bmc.2007.03.023 BindingDB Entry DOI: 10.7270/Q2G73DDV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50202340
((S)-3-bromo-1,10-dimethoxy-6-methyl-5,6,6a,7-tetra...)Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4c(Br)c(O)c(OC)c-2c34)cc1O |r| Show InChI InChI=1S/C19H20BrNO4/c1-21-5-4-10-15-12(21)6-9-7-13(22)14(24-2)8-11(9)16(15)19(25-3)18(23)17(10)20/h7-8,12,22-23H,4-6H2,1-3H3/t12-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chile
Curated by ChEMBL
| Assay Description Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR expressed in SH-SY5Y cells |
Bioorg Med Chem 15: 3368-72 (2007)
Article DOI: 10.1016/j.bmc.2007.03.023 BindingDB Entry DOI: 10.7270/Q2G73DDV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50209211
(3,8-dibromoboldine | CHEMBL388564)Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4c(Br)c(O)c(OC)c-2c34)c(Br)c1O |r| Show InChI InChI=1S/C19H19Br2NO4/c1-22-5-4-8-13-11(22)6-10-9(7-12(25-2)17(23)16(10)21)14(13)19(26-3)18(24)15(8)20/h7,11,23-24H,4-6H2,1-3H3/t11-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chile
Curated by ChEMBL
| Assay Description Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR expressed in SH-SY5Y cells |
Bioorg Med Chem 15: 3368-72 (2007)
Article DOI: 10.1016/j.bmc.2007.03.023 BindingDB Entry DOI: 10.7270/Q2G73DDV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50209213
((S)-9-Hydroxy-1,2,10-trimethoxy-6,6-dimethyl-5,6,6...)Show SMILES COc1cc-2c(C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(OC)c-24)cc1O Show InChI InChI=1S/C21H25NO4/c1-22(2)7-6-12-10-18(25-4)21(26-5)20-14-11-17(24-3)16(23)9-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/p+1/t15-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chile
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in SH-EP1 cells |
Bioorg Med Chem 15: 3368-72 (2007)
Article DOI: 10.1016/j.bmc.2007.03.023 BindingDB Entry DOI: 10.7270/Q2G73DDV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50209215
(CHEMBL225851 | predicentrine methiodide)Show SMILES COc1cc2C[C@H]3c4c(CC[N+]3(C)C)cc(O)c(OC)c4-c2cc1OC Show InChI InChI=1S/C21H25NO4/c1-22(2)7-6-12-9-16(23)21(26-5)20-14-11-18(25-4)17(24-3)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/p+1/t15-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chile
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in SH-EP1 cells |
Bioorg Med Chem 15: 3368-72 (2007)
Article DOI: 10.1016/j.bmc.2007.03.023 BindingDB Entry DOI: 10.7270/Q2G73DDV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50209214
(CHEMBL388341 | boldine methiodide)Show SMILES COc1cc-2c(C[C@H]3c4c(CC[N+]3(C)C)cc(O)c(OC)c-24)cc1O Show InChI InChI=1S/C20H23NO4/c1-21(2)6-5-11-8-16(23)20(25-4)19-13-10-17(24-3)15(22)9-12(13)7-14(21)18(11)19/h8-10,14H,5-7H2,1-4H3,(H-,22,23)/p+1/t14-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chile
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in SH-EP1 cells |
Bioorg Med Chem 15: 3368-72 (2007)
Article DOI: 10.1016/j.bmc.2007.03.023 BindingDB Entry DOI: 10.7270/Q2G73DDV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50202318
((+)-boldine | (S)-(+)-Boldine | (S)-1,10-dimethoxy...)Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4cc(O)c(OC)c-2c34)cc1O |r| Show InChI InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chile
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in SH-EP1 cells |
Bioorg Med Chem 15: 3368-72 (2007)
Article DOI: 10.1016/j.bmc.2007.03.023 BindingDB Entry DOI: 10.7270/Q2G73DDV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50209213
((S)-9-Hydroxy-1,2,10-trimethoxy-6,6-dimethyl-5,6,6...)Show SMILES COc1cc-2c(C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(OC)c-24)cc1O Show InChI InChI=1S/C21H25NO4/c1-22(2)7-6-12-10-18(25-4)21(26-5)20-14-11-17(24-3)16(23)9-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/p+1/t15-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chile
Curated by ChEMBL
| Assay Description Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR expressed in SH-SY5Y cells |
Bioorg Med Chem 15: 3368-72 (2007)
Article DOI: 10.1016/j.bmc.2007.03.023 BindingDB Entry DOI: 10.7270/Q2G73DDV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50209214
(CHEMBL388341 | boldine methiodide)Show SMILES COc1cc-2c(C[C@H]3c4c(CC[N+]3(C)C)cc(O)c(OC)c-24)cc1O Show InChI InChI=1S/C20H23NO4/c1-21(2)6-5-11-8-16(23)20(25-4)19-13-10-17(24-3)15(22)9-12(13)7-14(21)18(11)19/h8-10,14H,5-7H2,1-4H3,(H-,22,23)/p+1/t14-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chile
Curated by ChEMBL
| Assay Description Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR expressed in SH-SY5Y cells |
Bioorg Med Chem 15: 3368-72 (2007)
Article DOI: 10.1016/j.bmc.2007.03.023 BindingDB Entry DOI: 10.7270/Q2G73DDV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50209212
(CHEMBL225852 | cid_14262872 | glaucine methiodide)Show SMILES COc1cc2C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(OC)c4-c2cc1OC Show InChI InChI=1S/C22H28NO4/c1-23(2)8-7-13-10-19(26-5)22(27-6)21-15-12-18(25-4)17(24-3)11-14(15)9-16(23)20(13)21/h10-12,16H,7-9H2,1-6H3/q+1/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chile
Curated by ChEMBL
| Assay Description Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR expressed in SH-SY5Y cells |
Bioorg Med Chem 15: 3368-72 (2007)
Article DOI: 10.1016/j.bmc.2007.03.023 BindingDB Entry DOI: 10.7270/Q2G73DDV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50209215
(CHEMBL225851 | predicentrine methiodide)Show SMILES COc1cc2C[C@H]3c4c(CC[N+]3(C)C)cc(O)c(OC)c4-c2cc1OC Show InChI InChI=1S/C21H25NO4/c1-22(2)7-6-12-9-16(23)21(26-5)20-14-11-18(25-4)17(24-3)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/p+1/t15-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chile
Curated by ChEMBL
| Assay Description Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR expressed in SH-SY5Y cells |
Bioorg Med Chem 15: 3368-72 (2007)
Article DOI: 10.1016/j.bmc.2007.03.023 BindingDB Entry DOI: 10.7270/Q2G73DDV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50209212
(CHEMBL225852 | cid_14262872 | glaucine methiodide)Show SMILES COc1cc2C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(OC)c4-c2cc1OC Show InChI InChI=1S/C22H28NO4/c1-23(2)8-7-13-10-19(26-5)22(27-6)21-15-12-18(25-4)17(24-3)11-14(15)9-16(23)20(13)21/h10-12,16H,7-9H2,1-6H3/q+1/t16-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chile
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in SH-EP1 cells |
Bioorg Med Chem 15: 3368-72 (2007)
Article DOI: 10.1016/j.bmc.2007.03.023 BindingDB Entry DOI: 10.7270/Q2G73DDV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50202318
((+)-boldine | (S)-(+)-Boldine | (S)-1,10-dimethoxy...)Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4cc(O)c(OC)c-2c34)cc1O |r| Show InChI InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 8.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chile
Curated by ChEMBL
| Assay Description Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR expressed in SH-SY5Y cells |
Bioorg Med Chem 15: 3368-72 (2007)
Article DOI: 10.1016/j.bmc.2007.03.023 BindingDB Entry DOI: 10.7270/Q2G73DDV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50202340
((S)-3-bromo-1,10-dimethoxy-6-methyl-5,6,6a,7-tetra...)Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4c(Br)c(O)c(OC)c-2c34)cc1O |r| Show InChI InChI=1S/C19H20BrNO4/c1-21-5-4-10-15-12(21)6-9-7-13(22)14(24-2)8-11(9)16(15)19(25-3)18(23)17(10)20/h7-8,12,22-23H,4-6H2,1-3H3/t12-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chile
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in SH-EP1 cells |
Bioorg Med Chem 15: 3368-72 (2007)
Article DOI: 10.1016/j.bmc.2007.03.023 BindingDB Entry DOI: 10.7270/Q2G73DDV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50202340
((S)-3-bromo-1,10-dimethoxy-6-methyl-5,6,6a,7-tetra...)Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4c(Br)c(O)c(OC)c-2c34)cc1O |r| Show InChI InChI=1S/C19H20BrNO4/c1-21-5-4-10-15-12(21)6-9-7-13(22)14(24-2)8-11(9)16(15)19(25-3)18(23)17(10)20/h7-8,12,22-23H,4-6H2,1-3H3/t12-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chile
Curated by ChEMBL
| Assay Description Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR expressed in SH-SY5Y cells |
Bioorg Med Chem 15: 3368-72 (2007)
Article DOI: 10.1016/j.bmc.2007.03.023 BindingDB Entry DOI: 10.7270/Q2G73DDV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50209211
(3,8-dibromoboldine | CHEMBL388564)Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4c(Br)c(O)c(OC)c-2c34)c(Br)c1O |r| Show InChI InChI=1S/C19H19Br2NO4/c1-22-5-4-8-13-11(22)6-10-9(7-12(25-2)17(23)16(10)21)14(13)19(26-3)18(24)15(8)20/h7,11,23-24H,4-6H2,1-3H3/t11-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.01E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chile
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in SH-EP1 cells |
Bioorg Med Chem 15: 3368-72 (2007)
Article DOI: 10.1016/j.bmc.2007.03.023 BindingDB Entry DOI: 10.7270/Q2G73DDV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50209211
(3,8-dibromoboldine | CHEMBL388564)Show SMILES COc1cc-2c(C[C@@H]3N(C)CCc4c(Br)c(O)c(OC)c-2c34)c(Br)c1O |r| Show InChI InChI=1S/C19H19Br2NO4/c1-22-5-4-8-13-11(22)6-10-9(7-12(25-2)17(23)16(10)21)14(13)19(26-3)18(24)15(8)20/h7,11,23-24H,4-6H2,1-3H3/t11-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.14E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chile
Curated by ChEMBL
| Assay Description Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR expressed in SH-SY5Y cells |
Bioorg Med Chem 15: 3368-72 (2007)
Article DOI: 10.1016/j.bmc.2007.03.023 BindingDB Entry DOI: 10.7270/Q2G73DDV |
More data for this Ligand-Target Pair | |