Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50009013 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
Patents
Similars
| Article PubMed
| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept Inc.
Curated by ChEMBL
| Assay Description Binding affinity at heteropentameric Nicotinic acetylcholine receptor alpha4-beta2 subtype using [3H]-bungarotoxin as radioligand |
J Med Chem 42: 3066-74 (1999)
Article DOI: 10.1021/jm990093z BindingDB Entry DOI: 10.7270/Q2445KNP |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50079453
(2-(6-Chloro-pyridin-3-yl)-7-methyl-7-aza-bicyclo[2...)Show SMILES CN1C2CCC1C(C2)c1ccc(Cl)nc1 |TLB:8:6:1:4.3,0:1:6.7:4.3| Show InChI InChI=1S/C12H15ClN2/c1-15-9-3-4-11(15)10(6-9)8-2-5-12(13)14-7-8/h2,5,7,9-11H,3-4,6H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept Inc.
Curated by ChEMBL
| Assay Description Binding affinity at heteropentameric Nicotinic acetylcholine receptor alpha4-beta2 subtype using [3H]-bungarotoxin as radioligand |
J Med Chem 42: 3066-74 (1999)
Article DOI: 10.1021/jm990093z BindingDB Entry DOI: 10.7270/Q2445KNP |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50079456
(2-Pyridin-3-yl-1-aza-bicyclo[2.2.2]octane | CHEMBL...)Show SMILES C1CN2CCC1CC2c1cccnc1 |(15.84,-6.24,;14.49,-7,;16.04,-8.15,;16.81,-6.8,;16.04,-5.47,;14.49,-5.47,;13.72,-6.8,;14.49,-8.15,;13.17,-8.93,;11.82,-8.15,;10.5,-8.95,;10.5,-10.47,;11.82,-11.27,;13.17,-10.47,)| Show InChI InChI=1S/C12H16N2/c1-2-11(9-13-5-1)12-8-10-3-6-14(12)7-4-10/h1-2,5,9-10,12H,3-4,6-8H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept Inc.
Curated by ChEMBL
| Assay Description Binding affinity at heteropentameric Nicotinic acetylcholine receptor alpha4-beta2 subtype using [3H]-bungarotoxin as radioligand |
J Med Chem 42: 3066-74 (1999)
Article DOI: 10.1021/jm990093z BindingDB Entry DOI: 10.7270/Q2445KNP |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50079454
(3-Azetidin-2-yl-pyridine | CHEMBL323325)Show InChI InChI=1S/C8H10N2/c1-2-7(6-9-4-1)8-3-5-10-8/h1-2,4,6,8,10H,3,5H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept Inc.
Curated by ChEMBL
| Assay Description Binding affinity at heteropentameric Nicotinic acetylcholine receptor alpha4-beta2 subtype using [3H]-bungarotoxin as radioligand |
J Med Chem 42: 3066-74 (1999)
Article DOI: 10.1021/jm990093z BindingDB Entry DOI: 10.7270/Q2445KNP |
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
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept Inc.
Curated by ChEMBL
| Assay Description Binding affinity at heteropentameric Nicotinic acetylcholine receptor alpha4-beta2 subtype using [3H]-bungarotoxin as radioligand |
J Med Chem 42: 3066-74 (1999)
Article DOI: 10.1021/jm990093z BindingDB Entry DOI: 10.7270/Q2445KNP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50079455
(CHEMBL46486 | tetramethylammonium) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept Inc.
Curated by ChEMBL
| Assay Description Binding affinity at heteropentameric Nicotinic acetylcholine receptor alpha4-beta2 subtype using [3H]-bungarotoxin as radioligand |
J Med Chem 42: 3066-74 (1999)
Article DOI: 10.1021/jm990093z BindingDB Entry DOI: 10.7270/Q2445KNP |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(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
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept Inc.
Curated by ChEMBL
| Assay Description Binding affinity at homopentameric Nicotinic acetylcholine receptor alpha7 subtype using [3H]-S-(-)-nicotine as radioligand |
J Med Chem 42: 3066-74 (1999)
Article DOI: 10.1021/jm990093z BindingDB Entry DOI: 10.7270/Q2445KNP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50023328
(3-Pyrrolidin-2-yl-pyridine | CHEMBL1132 | Nornicot...)Show InChI InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept Inc.
Curated by ChEMBL
| Assay Description Binding affinity at heteropentameric Nicotinic acetylcholine receptor alpha4-beta2 subtype using [3H]-bungarotoxin as radioligand |
J Med Chem 42: 3066-74 (1999)
Article DOI: 10.1021/jm990093z BindingDB Entry DOI: 10.7270/Q2445KNP |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50026461
((+-)-anabasine | 3-(piperidin-2-yl)pyridine | Anab...)Show InChI InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2 | 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
| 92 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept Inc.
Curated by ChEMBL
| Assay Description Binding affinity at heteropentameric Nicotinic acetylcholine receptor alpha4-beta2 subtype using [3H]-bungarotoxin as radioligand |
J Med Chem 42: 3066-74 (1999)
Article DOI: 10.1021/jm990093z BindingDB Entry DOI: 10.7270/Q2445KNP |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50079457
(1-Methyl-1,2,3,4,5,6-hexahydro-[2,3']bipyridinyl |...)Show InChI InChI=1S/C11H16N2/c1-13-8-3-2-6-11(13)10-5-4-7-12-9-10/h4-5,7,9,11H,2-3,6,8H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept Inc.
Curated by ChEMBL
| Assay Description Binding affinity at heteropentameric Nicotinic acetylcholine receptor alpha4-beta2 subtype using [3H]-bungarotoxin as radioligand |
J Med Chem 42: 3066-74 (1999)
Article DOI: 10.1021/jm990093z BindingDB Entry DOI: 10.7270/Q2445KNP |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50026461
((+-)-anabasine | 3-(piperidin-2-yl)pyridine | Anab...)Show InChI InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept Inc.
Curated by ChEMBL
| Assay Description Binding affinity at homopentameric Nicotinic acetylcholine receptor alpha7 subtype using [3H]-S-(-)-nicotine as radioligand |
J Med Chem 42: 3066-74 (1999)
Article DOI: 10.1021/jm990093z BindingDB Entry DOI: 10.7270/Q2445KNP |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(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
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
KEGG PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept Inc.
Curated by ChEMBL
| Assay Description Binding affinity at homopentameric Nicotinic acetylcholine receptor alpha7 subtype using [3H]-S-(-)-nicotine as radioligand |
J Med Chem 42: 3066-74 (1999)
Article DOI: 10.1021/jm990093z BindingDB Entry DOI: 10.7270/Q2445KNP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50023328
(3-Pyrrolidin-2-yl-pyridine | CHEMBL1132 | Nornicot...)Show InChI InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 730 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept Inc.
Curated by ChEMBL
| Assay Description Binding affinity at homopentameric Nicotinic acetylcholine receptor alpha7 subtype using [3H]-S-(-)-nicotine as radioligand |
J Med Chem 42: 3066-74 (1999)
Article DOI: 10.1021/jm990093z BindingDB Entry DOI: 10.7270/Q2445KNP |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50079455
(CHEMBL46486 | tetramethylammonium) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept Inc.
Curated by ChEMBL
| Assay Description Binding affinity at homopentameric Nicotinic acetylcholine receptor alpha7 subtype using [3H]-S-(-)-nicotine as radioligand |
J Med Chem 42: 3066-74 (1999)
Article DOI: 10.1021/jm990093z BindingDB Entry DOI: 10.7270/Q2445KNP |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50079457
(1-Methyl-1,2,3,4,5,6-hexahydro-[2,3']bipyridinyl |...)Show InChI InChI=1S/C11H16N2/c1-13-8-3-2-6-11(13)10-5-4-7-12-9-10/h4-5,7,9,11H,2-3,6,8H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 9.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept Inc.
Curated by ChEMBL
| Assay Description Binding affinity at homopentameric Nicotinic acetylcholine receptor alpha7 subtype using [3H]-S-(-)-nicotine as radioligand |
J Med Chem 42: 3066-74 (1999)
Article DOI: 10.1021/jm990093z BindingDB Entry DOI: 10.7270/Q2445KNP |
More data for this Ligand-Target Pair | |