Found 10 hits of Enzyme Inhibition Constant Data 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)) | BDBM50422013
(LOBELINE | Lobeline Hydrochloride)Show SMILES CN1[C@@H](C[C@H](O)c2ccccc2)CCC[C@H]1CC(=O)c1ccccc1 Show InChI InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3/t19-,20+,21+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Binding affinity to alpha4beta2 (unknown origin) |
Eur J Med Chem 102: 425-44 (2015)
Article DOI: 10.1016/j.ejmech.2015.07.024 BindingDB Entry DOI: 10.7270/Q2765H4R |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50422013
(LOBELINE | Lobeline Hydrochloride)Show SMILES CN1[C@@H](C[C@H](O)c2ccccc2)CCC[C@H]1CC(=O)c1ccccc1 Show InChI InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3/t19-,20+,21+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Binding affinity to alpha4beta2 (unknown origin) |
Eur J Med Chem 102: 425-44 (2015)
Article DOI: 10.1016/j.ejmech.2015.07.024 BindingDB Entry DOI: 10.7270/Q2765H4R |
More data for this Ligand-Target Pair | |
Acetylcholine-binding protein
(Lymnaea stagnalis) | 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
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
KEGG PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Binding affinity to Lymnaea stagnalis AChBP after 300 seconds by SPR biosensor analysis |
Eur J Med Chem 102: 425-44 (2015)
Article DOI: 10.1016/j.ejmech.2015.07.024 BindingDB Entry DOI: 10.7270/Q2765H4R |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Acetylcholine-binding protein
(Lymnaea stagnalis) | BDBM50120209
(CHEMBL3616575)Show InChI InChI=1S/C17H21N3/c1-2-6-16(7-3-1)15-19-10-5-11-20(13-12-19)17-8-4-9-18-14-17/h1-4,6-9,14H,5,10-13,15H2 | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Binding affinity to Lymnaea stagnalis AChBP after 300 seconds by SPR biosensor analysis |
Eur J Med Chem 102: 425-44 (2015)
Article DOI: 10.1016/j.ejmech.2015.07.024 BindingDB Entry DOI: 10.7270/Q2765H4R |
More data for this Ligand-Target Pair | |
Acetylcholine-binding protein
(Lymnaea stagnalis) | BDBM50120210
(CHEMBL3616577)Show InChI InChI=1S/C19H25N3/c1-2-7-18(8-3-1)9-5-12-21-13-6-14-22(16-15-21)19-10-4-11-20-17-19/h1-4,7-8,10-11,17H,5-6,9,12-16H2 | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Binding affinity to Lymnaea stagnalis AChBP after 300 seconds by SPR biosensor analysis |
Eur J Med Chem 102: 425-44 (2015)
Article DOI: 10.1016/j.ejmech.2015.07.024 BindingDB Entry DOI: 10.7270/Q2765H4R |
More data for this Ligand-Target Pair | |
Acetylcholine-binding protein
(Lymnaea stagnalis) | BDBM50120209
(CHEMBL3616575)Show InChI InChI=1S/C17H21N3/c1-2-6-16(7-3-1)15-19-10-5-11-20(13-12-19)17-8-4-9-18-14-17/h1-4,6-9,14H,5,10-13,15H2 | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Binding affinity to Lymnaea stagnalis AChBP after 300 seconds by SPR biosensor analysis |
Eur J Med Chem 102: 425-44 (2015)
Article DOI: 10.1016/j.ejmech.2015.07.024 BindingDB Entry DOI: 10.7270/Q2765H4R |
More data for this Ligand-Target Pair | |
Acetylcholine-binding protein
(Lymnaea stagnalis) | 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
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
KEGG PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 316 | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Binding affinity to Lymnaea stagnalis AChBP after 300 seconds by SPR biosensor analysis |
Eur J Med Chem 102: 425-44 (2015)
Article DOI: 10.1016/j.ejmech.2015.07.024 BindingDB Entry DOI: 10.7270/Q2765H4R |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Acetylcholine-binding protein
(Lymnaea stagnalis) | BDBM50422013
(LOBELINE | Lobeline Hydrochloride)Show SMILES CN1[C@@H](C[C@H](O)c2ccccc2)CCC[C@H]1CC(=O)c1ccccc1 Show InChI InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3/t19-,20+,21+/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 631 | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Binding affinity to Lymnaea stagnalis AChBP after 300 seconds by SPR biosensor analysis |
Eur J Med Chem 102: 425-44 (2015)
Article DOI: 10.1016/j.ejmech.2015.07.024 BindingDB Entry DOI: 10.7270/Q2765H4R |
More data for this Ligand-Target Pair | |
Acetylcholine-binding protein
(Lymnaea stagnalis) | BDBM50120210
(CHEMBL3616577)Show InChI InChI=1S/C19H25N3/c1-2-7-18(8-3-1)9-5-12-21-13-6-14-22(16-15-21)19-10-4-11-20-17-19/h1-4,7-8,10-11,17H,5-6,9,12-16H2 | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Binding affinity to Lymnaea stagnalis AChBP after 300 seconds by SPR biosensor analysis |
Eur J Med Chem 102: 425-44 (2015)
Article DOI: 10.1016/j.ejmech.2015.07.024 BindingDB Entry DOI: 10.7270/Q2765H4R |
More data for this Ligand-Target Pair | |
Acetylcholine-binding protein
(Lymnaea stagnalis) | BDBM50422013
(LOBELINE | Lobeline Hydrochloride)Show SMILES CN1[C@@H](C[C@H](O)c2ccccc2)CCC[C@H]1CC(=O)c1ccccc1 Show InChI InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3/t19-,20+,21+/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 630 | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Binding affinity to Lymnaea stagnalis AChBP after 300 seconds by SPR biosensor analysis |
Eur J Med Chem 102: 425-44 (2015)
Article DOI: 10.1016/j.ejmech.2015.07.024 BindingDB Entry DOI: 10.7270/Q2765H4R |
More data for this Ligand-Target Pair | |