BDBM50397899 CHEMBL2179967
SMILES: O=C(N1CC2CNCC(C2)C1)c1ccco1
InChI Key: InChIKey=PSXPQUNJMZAIKK-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human)) | BDBM50397899 (CHEMBL2179967) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | US Patent | 9.90 | -10.8 | n/a | n/a | n/a | n/a | n/a | n/a | 21 |
Targacept, Inc. US Patent | Assay Description The binding of [3H]MLA was measured using a modification of the methods of Davies et al., Neuropharmacol. 38: 679 (1999). [3H]MLA (Specific Activity=... | US Patent US8921410 (2014) BindingDB Entry DOI: 10.7270/Q2QZ28PT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human)) | BDBM50397899 (CHEMBL2179967) | 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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc. Curated by ChEMBL | Assay Description Displacement of [3H]nicotine from alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay | J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat)) | BDBM50397899 (CHEMBL2179967) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | US Patent | 31 | -10.1 | n/a | n/a | n/a | n/a | n/a | n/a | 21 |
Targacept, Inc. US Patent | Assay Description The binding of [3H]MLA was measured using a modification of the methods of Davies et al., Neuropharmacol. 38: 679 (1999). [3H]MLA (Specific Activity=... | US Patent US8921410 (2014) BindingDB Entry DOI: 10.7270/Q2QZ28PT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human)) | BDBM50397899 (CHEMBL2179967) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc. Curated by ChEMBL | Assay Description Displacement of [3H]epibatidine from human alpha7 nAChR expressed in CHO cells after 2 hrs by liquid scintillation counting | J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat)) | BDBM50397899 (CHEMBL2179967) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | US Patent | 1.50E+4 | -6.49 | n/a | n/a | n/a | n/a | n/a | n/a | 21 |
Targacept, Inc. US Patent | Assay Description The binding of [3H]MLA was measured using a modification of the methods of Davies et al., Neuropharmacol. 38: 679 (1999). [3H]MLA (Specific Activity=... | US Patent US8921410 (2014) BindingDB Entry DOI: 10.7270/Q2QZ28PT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human)) | BDBM50397899 (CHEMBL2179967) | 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 | 1.90E+3 | n/a | n/a | n/a | n/a |
Targacept, Inc. Curated by ChEMBL | Assay Description Agonist activity at alpha4beta2 nAChR in human SH-EP1 cells assessed as calcium flux by calcium4-based FLIPR assay | J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W | |||||||||||
More data for this Ligand-Target Pair |