Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50037813 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)) | BDBM50049757
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid PDB UniChem
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Similars
| Article PubMed
| 0.0558 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Leicester
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from human recombinant alpha4beta2 nAChR in HEK293 cells by SPA assay |
Bioorg Med Chem Lett 16: 5493-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.049 BindingDB Entry DOI: 10.7270/Q2D79C7V |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50194072
(CHEMBL220476 | syn-7-(6-chloro-pyridin-3-yl)-2-aza...)Show SMILES Clc1ccc(cn1)C1C2CCC1NC2 |THB:4:7:10.9:13.12| Show InChI InChI=1S/C11H13ClN2/c12-10-4-2-8(6-14-10)11-7-1-3-9(11)13-5-7/h2,4,6-7,9,11,13H,1,3,5H2 | 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
| 0.0785 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Leicester
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from human recombinant alpha4beta2 nAChR in HEK293 cells by SPA assay |
Bioorg Med Chem Lett 16: 5493-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.049 BindingDB Entry DOI: 10.7270/Q2D79C7V |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50194070
(6-(6-Chloro-pyridin-3-yl)-8-aza-bicyclo[3.2.1]octa...)Show SMILES Clc1ccc(cn1)C1CC2CCCC1N2 |THB:4:7:14:12.11.10| Show InChI InChI=1S/C12H15ClN2/c13-12-5-4-8(7-14-12)10-6-9-2-1-3-11(10)15-9/h4-5,7,9-11,15H,1-3,6H2 | 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
| 0.343 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Leicester
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from human recombinant alpha4beta2 nAChR in HEK293 cells by SPA assay |
Bioorg Med Chem Lett 16: 5493-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.049 BindingDB Entry DOI: 10.7270/Q2D79C7V |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50194070
(6-(6-Chloro-pyridin-3-yl)-8-aza-bicyclo[3.2.1]octa...)Show SMILES Clc1ccc(cn1)C1CC2CCCC1N2 |THB:4:7:14:12.11.10| Show InChI InChI=1S/C12H15ClN2/c13-12-5-4-8(7-14-12)10-6-9-2-1-3-11(10)15-9/h4-5,7,9-11,15H,1-3,6H2 | 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
| 0.343 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Leicester
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from human recombinant alpha4beta2 nAChR in HEK293 cells by SPA assay |
Bioorg Med Chem Lett 16: 5493-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.049 BindingDB Entry DOI: 10.7270/Q2D79C7V |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50194068
(7-(3-methylisoxazol-5-yl)-6-aza-bicyclo[2.2.1]hept...)Show InChI InChI=1S/C10H14N2O/c1-6-4-9(13-12-6)10-7-2-3-8(10)11-5-7/h4,7-8,10-11H,2-3,5H2,1H3 | 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
| 0.763 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Leicester
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from human recombinant alpha4beta2 nAChR in HEK293 cells by SPA assay |
Bioorg Med Chem Lett 16: 5493-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.049 BindingDB Entry DOI: 10.7270/Q2D79C7V |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50194069
(2-(6-chloropyridin-3-yl)-6-aza-bicyclo[2.2.1]hepta...)Show InChI InChI=1S/C11H13ClN2/c12-11-2-1-8(6-14-11)9-3-7-4-10(9)13-5-7/h1-2,6-7,9-10,13H,3-5H2 | 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
| 0.771 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Leicester
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from human recombinant alpha4beta2 nAChR in HEK293 cells by SPA assay |
Bioorg Med Chem Lett 16: 5493-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.049 BindingDB Entry DOI: 10.7270/Q2D79C7V |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50194071
(3-(6-chloropyridin-3-yl)-6-aza-bicyclo[2.2.1]hepta...)Show InChI InChI=1S/C11H13ClN2/c12-11-2-1-7(5-14-11)10-4-9-3-8(10)6-13-9/h1-2,5,8-10,13H,3-4,6H2 | 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
| 1.23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Leicester
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from human recombinant alpha4beta2 nAChR in HEK293 cells by SPA assay |
Bioorg Med Chem Lett 16: 5493-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.049 BindingDB Entry DOI: 10.7270/Q2D79C7V |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50194071
(3-(6-chloropyridin-3-yl)-6-aza-bicyclo[2.2.1]hepta...)Show InChI InChI=1S/C11H13ClN2/c12-11-2-1-7(5-14-11)10-4-9-3-8(10)6-13-9/h1-2,5,8-10,13H,3-4,6H2 | 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
| 1.23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Leicester
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from human recombinant alpha4beta2 nAChR in HEK293 cells by SPA assay |
Bioorg Med Chem Lett 16: 5493-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.049 BindingDB Entry DOI: 10.7270/Q2D79C7V |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50143282
((-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-m...)Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8?,9-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 2.59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Leicester
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from human recombinant alpha4beta2 nAChR in HEK293 cells by SPA assay |
Bioorg Med Chem Lett 16: 5493-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.049 BindingDB Entry DOI: 10.7270/Q2D79C7V |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50143320
((+)-epibatidine | (-)-1-epidatidine | (1S,2S,4R)-2...)Show SMILES Clc1ccc(cn1)[C@@H]1C[C@H]2CC[C@@H]1N2 |THB:4:7:13:11.10| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Leicester
Curated by ChEMBL
| Assay Description Displacement of [125I-alpha]-Bungarotoxin from alpha-7 nAChR in rat hippocampal membranes |
Bioorg Med Chem Lett 16: 5493-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.049 BindingDB Entry DOI: 10.7270/Q2D79C7V |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50194074
(3-(6-chloropyridin-3-yl)-6-aza-bicyclo[2.2.1]hepta...)Show InChI InChI=1S/C11H13ClN2/c12-11-2-1-7(5-14-11)10-4-9-3-8(10)6-13-9/h1-2,5,8-10,13H,3-4,6H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Leicester
Curated by ChEMBL
| Assay Description Displacement of [125I-alpha]-Bungarotoxin from alpha-7 nAChR in rat hippocampal membranes |
Bioorg Med Chem Lett 16: 5493-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.049 BindingDB Entry DOI: 10.7270/Q2D79C7V |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50143314
((+)-Epibatidine | (-)-epibatidine | (1R,2R,4S)-2-(...)Show SMILES Clc1ccc(cn1)[C@H]1C[C@@H]2CC[C@H]1N2 |THB:4:7:13:11.10| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Leicester
Curated by ChEMBL
| Assay Description Displacement of [125I-alpha]-Bungarotoxin from alpha-7 nAChR in rat hippocampal membranes |
Bioorg Med Chem Lett 16: 5493-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.049 BindingDB Entry DOI: 10.7270/Q2D79C7V |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50194073
(CHEMBL535389 | homoepibatidine)Show SMILES Clc1ccc(cn1)C1CC2CCCC1N2 |THB:4:7:14:10.12.11| Show InChI InChI=1S/C12H15ClN2/c13-12-5-4-8(7-14-12)10-6-9-2-1-3-11(10)15-9/h4-5,7,9-11,15H,1-3,6H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD 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 |
University of Leicester
Curated by ChEMBL
| Assay Description Displacement of [125I-alpha]-Bungarotoxin from alpha-7 nAChR in rat hippocampal membranes |
Bioorg Med Chem Lett 16: 5493-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.049 BindingDB Entry DOI: 10.7270/Q2D79C7V |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50194069
(2-(6-chloropyridin-3-yl)-6-aza-bicyclo[2.2.1]hepta...)Show InChI InChI=1S/C11H13ClN2/c12-11-2-1-8(6-14-11)9-3-7-4-10(9)13-5-7/h1-2,6-7,9-10,13H,3-5H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Leicester
Curated by ChEMBL
| Assay Description Displacement of [125I-alpha]-Bungarotoxin from alpha-7 nAChR in rat hippocampal membranes |
Bioorg Med Chem Lett 16: 5493-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.049 BindingDB Entry DOI: 10.7270/Q2D79C7V |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50194069
(2-(6-chloropyridin-3-yl)-6-aza-bicyclo[2.2.1]hepta...)Show InChI InChI=1S/C11H13ClN2/c12-11-2-1-8(6-14-11)9-3-7-4-10(9)13-5-7/h1-2,6-7,9-10,13H,3-5H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Leicester
Curated by ChEMBL
| Assay Description Displacement of [125I-alpha]-Bungarotoxin from alpha-7 nAChR in rat hippocampal membranes |
Bioorg Med Chem Lett 16: 5493-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.049 BindingDB Entry DOI: 10.7270/Q2D79C7V |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50194071
(3-(6-chloropyridin-3-yl)-6-aza-bicyclo[2.2.1]hepta...)Show InChI InChI=1S/C11H13ClN2/c12-11-2-1-7(5-14-11)10-4-9-3-8(10)6-13-9/h1-2,5,8-10,13H,3-4,6H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Leicester
Curated by ChEMBL
| Assay Description Displacement of [125I-alpha]-Bungarotoxin from alpha-7 nAChR in rat hippocampal membranes |
Bioorg Med Chem Lett 16: 5493-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.049 BindingDB Entry DOI: 10.7270/Q2D79C7V |
More data for this Ligand-Target Pair | |