Found 5 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-4/beta-2' and Ligand = 'BDBM50210334' 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
(Rattus norvegicus (Rat)) | BDBM50210334
(CHEMBL3948977)Show SMILES [H][C@]1(CCOC)C[C@]1([H])c1cncc(c1)N1CCCNCC1 |r| Show InChI InChI=1S/C16H25N3O/c1-20-8-3-13-10-16(13)14-9-15(12-18-11-14)19-6-2-4-17-5-7-19/h9,11-13,16-17H,2-8,10H2,1H3/t13-,16-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nAChR by liquid scintillation counting |
Eur J Med Chem 124: 689-697 (2016)
Article DOI: 10.1016/j.ejmech.2016.09.016 BindingDB Entry DOI: 10.7270/Q2H41TDB |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50210334
(CHEMBL3948977)Show SMILES [H][C@]1(CCOC)C[C@]1([H])c1cncc(c1)N1CCCNCC1 |r| Show InChI InChI=1S/C16H25N3O/c1-20-8-3-13-10-16(13)14-9-15(12-18-11-14)19-6-2-4-17-5-7-19/h9,11-13,16-17H,2-8,10H2,1H3/t13-,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 | 16 | 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 expressed in human SH-EP1 cells assessed as reduction in carbamylcholine induced 86Rb+ efflux preincubated f... |
Eur J Med Chem 124: 689-697 (2016)
Article DOI: 10.1016/j.ejmech.2016.09.016 BindingDB Entry DOI: 10.7270/Q2H41TDB |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50210334
(CHEMBL3948977)Show SMILES [H][C@]1(CCOC)C[C@]1([H])c1cncc(c1)N1CCCNCC1 |r| Show InChI InChI=1S/C16H25N3O/c1-20-8-3-13-10-16(13)14-9-15(12-18-11-14)19-6-2-4-17-5-7-19/h9,11-13,16-17H,2-8,10H2,1H3/t13-,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 | 16 | 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 expressed in human SH-EP1 cells assessed as reduction in carbamylcholine induced 86Rb+ efflux preincubated f... |
Eur J Med Chem 124: 689-697 (2016)
Article DOI: 10.1016/j.ejmech.2016.09.016 BindingDB Entry DOI: 10.7270/Q2H41TDB |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50210334
(CHEMBL3948977)Show SMILES [H][C@]1(CCOC)C[C@]1([H])c1cncc(c1)N1CCCNCC1 |r| Show InChI InChI=1S/C16H25N3O/c1-20-8-3-13-10-16(13)14-9-15(12-18-11-14)19-6-2-4-17-5-7-19/h9,11-13,16-17H,2-8,10H2,1H3/t13-,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 | 16 | 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 human SH-EP1 cells after 9.5 mins by 86Rb+ efflux assay |
Eur J Med Chem 124: 689-697 (2016)
Article DOI: 10.1016/j.ejmech.2016.09.016 BindingDB Entry DOI: 10.7270/Q2H41TDB |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50210334
(CHEMBL3948977)Show SMILES [H][C@]1(CCOC)C[C@]1([H])c1cncc(c1)N1CCCNCC1 |r| Show InChI InChI=1S/C16H25N3O/c1-20-8-3-13-10-16(13)14-9-15(12-18-11-14)19-6-2-4-17-5-7-19/h9,11-13,16-17H,2-8,10H2,1H3/t13-,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 | 16 | 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 human SH-EP1 cells after 9.5 mins by 86Rb+ efflux assay |
Eur J Med Chem 124: 689-697 (2016)
Article DOI: 10.1016/j.ejmech.2016.09.016 BindingDB Entry DOI: 10.7270/Q2H41TDB |
More data for this Ligand-Target Pair | |