Found 22 hits with Last Name = 'paterson' and Initial = 'ne' 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)) | BDBM50382474
(CHEMBL2024096 | US9303017, Sazetidine-A)Show InChI InChI=1S/C15H20N2O2/c18-8-4-2-1-3-5-13-9-15(11-16-10-13)19-12-14-6-7-17-14/h9-11,14,17-18H,1-2,4,6-8,12H2/t14-/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 | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Antagonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as inhibition of carbamylcholine induced 86Rb+ ion efflux preincuba... |
J Med Chem 55: 717-24 (2012)
Article DOI: 10.1021/jm201157c BindingDB Entry DOI: 10.7270/Q21N8244 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50382472
(CHEMBL2024094)Show SMILES COCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C15H22N2O2/c1-18-5-3-11-7-15(11)12-6-14(9-16-8-12)19-10-13-2-4-17-13/h6,8-9,11,13,15,17H,2-5,7,10H2,1H3/t11-,13-,15-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Antagonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as inhibition of carbamylcholine induced 86Rb+ ion efflux preincuba... |
J Med Chem 55: 717-24 (2012)
Article DOI: 10.1021/jm201157c BindingDB Entry DOI: 10.7270/Q21N8244 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50382466
(CHEMBL2024087)Show SMILES OCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C14H20N2O2/c17-4-2-10-6-14(10)11-5-13(8-15-7-11)18-9-12-1-3-16-12/h5,7-8,10,12,14,16-17H,1-4,6,9H2/t10-,12-,14-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Antagonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as inhibition of carbamylcholine induced 86Rb+ ion efflux preincuba... |
J Med Chem 55: 717-24 (2012)
Article DOI: 10.1021/jm201157c BindingDB Entry DOI: 10.7270/Q21N8244 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50382467
(CHEMBL2024089)Show SMILES CNC(=O)OCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C16H23N3O3/c1-17-16(20)21-5-3-11-7-15(11)12-6-14(9-18-8-12)22-10-13-2-4-19-13/h6,8-9,11,13,15,19H,2-5,7,10H2,1H3,(H,17,20)/t11-,13-,15-/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 | 18.2 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Antagonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as inhibition of carbamylcholine induced 86Rb+ ion efflux preincuba... |
J Med Chem 55: 717-24 (2012)
Article DOI: 10.1021/jm201157c BindingDB Entry DOI: 10.7270/Q21N8244 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50382468
(CHEMBL2024090)Show SMILES CN(C)C(=O)OCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C17H25N3O3/c1-20(2)17(21)22-6-4-12-8-16(12)13-7-15(10-18-9-13)23-11-14-3-5-19-14/h7,9-10,12,14,16,19H,3-6,8,11H2,1-2H3/t12-,14-,16-/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 | 19.1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Antagonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as inhibition of carbamylcholine induced 86Rb+ ion efflux preincuba... |
J Med Chem 55: 717-24 (2012)
Article DOI: 10.1021/jm201157c BindingDB Entry DOI: 10.7270/Q21N8244 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50382469
(CHEMBL2024091)Show SMILES O=C(NC1CC1)OCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C18H25N3O3/c22-18(21-14-1-2-14)23-6-4-12-8-17(12)13-7-16(10-19-9-13)24-11-15-3-5-20-15/h7,9-10,12,14-15,17,20H,1-6,8,11H2,(H,21,22)/t12-,15-,17-/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 | 19.6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Antagonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as inhibition of carbamylcholine induced 86Rb+ ion efflux preincuba... |
J Med Chem 55: 717-24 (2012)
Article DOI: 10.1021/jm201157c BindingDB Entry DOI: 10.7270/Q21N8244 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50382470
(CHEMBL2024092)Show SMILES O=C(OCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1)N1CCCC1 |r| Show InChI InChI=1S/C19H27N3O3/c23-19(22-6-1-2-7-22)24-8-4-14-10-18(14)15-9-17(12-20-11-15)25-13-16-3-5-21-16/h9,11-12,14,16,18,21H,1-8,10,13H2/t14-,16-,18-/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 | 48.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Antagonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as inhibition of carbamylcholine induced 86Rb+ ion efflux preincuba... |
J Med Chem 55: 717-24 (2012)
Article DOI: 10.1021/jm201157c BindingDB Entry DOI: 10.7270/Q21N8244 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50382471
(CHEMBL2024093)Show SMILES O=C(Nc1ccccc1)OCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C21H25N3O3/c25-21(24-17-4-2-1-3-5-17)26-9-7-15-11-20(15)16-10-19(13-22-12-16)27-14-18-6-8-23-18/h1-5,10,12-13,15,18,20,23H,6-9,11,14H2,(H,24,25)/t15-,18-,20-/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 | 50.2 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Antagonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as inhibition of carbamylcholine induced 86Rb+ ion efflux preincuba... |
J Med Chem 55: 717-24 (2012)
Article DOI: 10.1021/jm201157c BindingDB Entry DOI: 10.7270/Q21N8244 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50382473
(CHEMBL2024095)Show SMILES COCC[C@@H]1C[C@H]1c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C15H22N2O2/c1-18-5-3-11-7-15(11)12-6-14(9-16-8-12)19-10-13-2-4-17-13/h6,8-9,11,13,15,17H,2-5,7,10H2,1H3/t11-,13+,15-/m1/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 | 50.4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Antagonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as inhibition of carbamylcholine induced 86Rb+ ion efflux preincuba... |
J Med Chem 55: 717-24 (2012)
Article DOI: 10.1021/jm201157c BindingDB Entry DOI: 10.7270/Q21N8244 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50382465
(CHEMBL2024088)Show SMILES OCC[C@@H]1C[C@H]1c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C14H20N2O2/c17-4-2-10-6-14(10)11-5-13(8-15-7-11)18-9-12-1-3-16-12/h5,7-8,10,12,14,16-17H,1-4,6,9H2/t10-,12+,14-/m1/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 | 50.9 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Antagonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as inhibition of carbamylcholine induced 86Rb+ ion efflux preincuba... |
J Med Chem 55: 717-24 (2012)
Article DOI: 10.1021/jm201157c BindingDB Entry DOI: 10.7270/Q21N8244 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM82070
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
KEGG PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Antagonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as inhibition of carbamylcholine induced 86Rb+ ion efflux preincuba... |
J Med Chem 55: 717-24 (2012)
Article DOI: 10.1021/jm201157c BindingDB Entry DOI: 10.7270/Q21N8244 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50382474
(CHEMBL2024096 | US9303017, Sazetidine-A)Show InChI InChI=1S/C15H20N2O2/c18-8-4-2-1-3-5-13-9-15(11-16-10-13)19-12-14-6-7-17-14/h9-11,14,17-18H,1-2,4,6-8,12H2/t14-/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 | n/a | n/a | 5.80 | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Agonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as 86Rb+ ion efflux after 9.5 mins by flip-plate technique |
J Med Chem 55: 717-24 (2012)
Article DOI: 10.1021/jm201157c BindingDB Entry DOI: 10.7270/Q21N8244 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM82070
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
KEGG PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 290 | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Agonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as 86Rb+ ion efflux after 9.5 mins by flip-plate technique |
J Med Chem 55: 717-24 (2012)
Article DOI: 10.1021/jm201157c BindingDB Entry DOI: 10.7270/Q21N8244 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50382473
(CHEMBL2024095)Show SMILES COCC[C@@H]1C[C@H]1c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C15H22N2O2/c1-18-5-3-11-7-15(11)12-6-14(9-16-8-12)19-10-13-2-4-17-13/h6,8-9,11,13,15,17H,2-5,7,10H2,1H3/t11-,13+,15-/m1/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 | n/a | n/a | 43.1 | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Agonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as 86Rb+ ion efflux after 9.5 mins by flip-plate technique |
J Med Chem 55: 717-24 (2012)
Article DOI: 10.1021/jm201157c BindingDB Entry DOI: 10.7270/Q21N8244 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50382472
(CHEMBL2024094)Show SMILES COCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C15H22N2O2/c1-18-5-3-11-7-15(11)12-6-14(9-16-8-12)19-10-13-2-4-17-13/h6,8-9,11,13,15,17H,2-5,7,10H2,1H3/t11-,13-,15-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 17.5 | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Agonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as 86Rb+ ion efflux after 9.5 mins by flip-plate technique |
J Med Chem 55: 717-24 (2012)
Article DOI: 10.1021/jm201157c BindingDB Entry DOI: 10.7270/Q21N8244 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50382471
(CHEMBL2024093)Show SMILES O=C(Nc1ccccc1)OCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C21H25N3O3/c25-21(24-17-4-2-1-3-5-17)26-9-7-15-11-20(15)16-10-19(13-22-12-16)27-14-18-6-8-23-18/h1-5,10,12-13,15,18,20,23H,6-9,11,14H2,(H,24,25)/t15-,18-,20-/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 | n/a | n/a | 48.9 | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Agonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as 86Rb+ ion efflux after 9.5 mins by flip-plate technique |
J Med Chem 55: 717-24 (2012)
Article DOI: 10.1021/jm201157c BindingDB Entry DOI: 10.7270/Q21N8244 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50382470
(CHEMBL2024092)Show SMILES O=C(OCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1)N1CCCC1 |r| Show InChI InChI=1S/C19H27N3O3/c23-19(22-6-1-2-7-22)24-8-4-14-10-18(14)15-9-17(12-20-11-15)25-13-16-3-5-21-16/h9,11-12,14,16,18,21H,1-8,10,13H2/t14-,16-,18-/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 | n/a | n/a | 44.4 | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Agonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as 86Rb+ ion efflux after 9.5 mins by flip-plate technique |
J Med Chem 55: 717-24 (2012)
Article DOI: 10.1021/jm201157c BindingDB Entry DOI: 10.7270/Q21N8244 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50382469
(CHEMBL2024091)Show SMILES O=C(NC1CC1)OCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C18H25N3O3/c22-18(21-14-1-2-14)23-6-4-12-8-17(12)13-7-16(10-19-9-13)24-11-15-3-5-20-15/h7,9-10,12,14-15,17,20H,1-6,8,11H2,(H,21,22)/t12-,15-,17-/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 | n/a | n/a | 23.3 | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Agonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as 86Rb+ ion efflux after 9.5 mins by flip-plate technique |
J Med Chem 55: 717-24 (2012)
Article DOI: 10.1021/jm201157c BindingDB Entry DOI: 10.7270/Q21N8244 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50382468
(CHEMBL2024090)Show SMILES CN(C)C(=O)OCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C17H25N3O3/c1-20(2)17(21)22-6-4-12-8-16(12)13-7-15(10-18-9-13)23-11-14-3-5-19-14/h7,9-10,12,14,16,19H,3-6,8,11H2,1-2H3/t12-,14-,16-/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 | n/a | n/a | 18.2 | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Agonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as 86Rb+ ion efflux after 9.5 mins by flip-plate technique |
J Med Chem 55: 717-24 (2012)
Article DOI: 10.1021/jm201157c BindingDB Entry DOI: 10.7270/Q21N8244 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50382467
(CHEMBL2024089)Show SMILES CNC(=O)OCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C16H23N3O3/c1-17-16(20)21-5-3-11-7-15(11)12-6-14(9-18-8-12)22-10-13-2-4-19-13/h6,8-9,11,13,15,19H,2-5,7,10H2,1H3,(H,17,20)/t11-,13-,15-/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 | n/a | n/a | 15.7 | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Agonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as 86Rb+ ion efflux after 9.5 mins by flip-plate technique |
J Med Chem 55: 717-24 (2012)
Article DOI: 10.1021/jm201157c BindingDB Entry DOI: 10.7270/Q21N8244 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50382465
(CHEMBL2024088)Show SMILES OCC[C@@H]1C[C@H]1c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C14H20N2O2/c17-4-2-10-6-14(10)11-5-13(8-15-7-11)18-9-12-1-3-16-12/h5,7-8,10,12,14,16-17H,1-4,6,9H2/t10-,12+,14-/m1/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 | n/a | n/a | 34.6 | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Agonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as 86Rb+ ion efflux after 9.5 mins by flip-plate technique |
J Med Chem 55: 717-24 (2012)
Article DOI: 10.1021/jm201157c BindingDB Entry DOI: 10.7270/Q21N8244 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50382466
(CHEMBL2024087)Show SMILES OCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C14H20N2O2/c17-4-2-10-6-14(10)11-5-13(8-15-7-11)18-9-12-1-3-16-12/h5,7-8,10,12,14,16-17H,1-4,6,9H2/t10-,12-,14-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 10.2 | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Agonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as 86Rb+ ion efflux after 9.5 mins by flip-plate technique |
J Med Chem 55: 717-24 (2012)
Article DOI: 10.1021/jm201157c BindingDB Entry DOI: 10.7270/Q21N8244 |
More data for this Ligand-Target Pair | |