BDBM50171007 4-[5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-2-fluoro-pyridin-3-yl]-benzonitrile::CHEMBL372638::US9150581, RTI-7527-155
SMILES: Fc1ncc(cc1-c1ccc(cc1)C#N)C1CC2CCC1N2
InChI Key: InChIKey=HMZQULPVMKITSP-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 protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat)) | BDBM50171007 (4-[5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-2-fluoro-pyri...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons Curated by ChEMBL | Assay Description In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta2 using 0.5 nM [3H]epibatidine | Bioorg Med Chem Lett 15: 4385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.039 BindingDB Entry DOI: 10.7270/Q2H41V62 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor protein alpha-2/beta-2 subunit (Rattus norvegicus (Rat)) | BDBM50171007 (4-[5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-2-fluoro-pyri...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons Curated by ChEMBL | Assay Description In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta2 using 0.5 nM [3H]epibatidine | Bioorg Med Chem Lett 15: 4385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.039 BindingDB Entry DOI: 10.7270/Q2H41V62 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor subunit alpha-4 beta 2 (Rattus norvegicus (Rat)) | BDBM50171007 (4-[5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-2-fluoro-pyri...) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY US Patent | Assay Description The Ki values for the inhibition of [3H]epibatidine binding at the α4β2 nAChR in male rat cerebral cortex for compounds are listed in Table... | US Patent US9150581 (2015) BindingDB Entry DOI: 10.7270/Q2319TNR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor Alpha-3/Beta-2 (Rattus norvegicus (Rat)) | BDBM50171007 (4-[5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-2-fluoro-pyri...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.351 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons Curated by ChEMBL | Assay Description In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta2 using 0.5 nM [3H]epibatidine | Bioorg Med Chem Lett 15: 4385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.039 BindingDB Entry DOI: 10.7270/Q2H41V62 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit (Rattus norvegicus (Rat)) | BDBM50171007 (4-[5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-2-fluoro-pyri...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons Curated by ChEMBL | Assay Description In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta4 using 0.5 nM [3H]epibatidine | Bioorg Med Chem Lett 15: 4385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.039 BindingDB Entry DOI: 10.7270/Q2H41V62 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor Alpha-2/Beta-4 (Rattus norvegicus (Rat)) | BDBM50171007 (4-[5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-2-fluoro-pyri...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons Curated by ChEMBL | Assay Description In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta4 using 0.5 nM [3H]epibatidine | Bioorg Med Chem Lett 15: 4385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.039 BindingDB Entry DOI: 10.7270/Q2H41V62 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor Alpha-3/Beta-4 (Rattus norvegicus (Rat)) | BDBM50171007 (4-[5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-2-fluoro-pyri...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 289 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons Curated by ChEMBL | Assay Description In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta4 using 0.5 nM [3H]epibatidine | Bioorg Med Chem Lett 15: 4385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.039 BindingDB Entry DOI: 10.7270/Q2H41V62 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor (Rattus norvegicus (Rat)) | BDBM50171007 (4-[5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-2-fluoro-pyri...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description Displacement of [125I]iodoMLA from rat cerebral cortex alpha7 nAChR at 50 nM incubated for 2 hrs by microplate scintillation assay | J Med Chem 55: 6512-22 (2012) Article DOI: 10.1021/jm300575y BindingDB Entry DOI: 10.7270/Q2CV4JV0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor (Rattus norvegicus (Rat)) | BDBM50171007 (4-[5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-2-fluoro-pyri...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY US Patent | Assay Description Compounds (10 mM) were also evaluated for inhibition of binding to a7 nAChR using [125I]iodoMLA as previously reported in Carroll et al. The binding ... | US Patent US9150581 (2015) BindingDB Entry DOI: 10.7270/Q2319TNR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor (Rattus norvegicus (Rat)) | BDBM50171007 (4-[5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-2-fluoro-pyri...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 9.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description Antagonist activity at rat alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced response after 2 to 6 day... | J Med Chem 55: 6512-22 (2012) Article DOI: 10.1021/jm300575y BindingDB Entry DOI: 10.7270/Q2CV4JV0 | |||||||||||
More data for this Ligand-Target Pair |