BDBM50263131 (+)-7-Methyl-2-exo-[3'-(6-fluoropyridin-2-yl)-5'-pyridinyl]-7-azabicyclo[2.2.1]heptane::(-)-7-Methyl-2-exo-[3'-(6-fluoropyridin-2-yl)-5'-pyridinyl]-7-azabicyclo[2.2.1]heptane::CHEMBL478447
SMILES: CN1[C@@H]2CC[C@@H]1[C@H](C2)c1cncc(c1)-c1cccc(F)n1
InChI Key: InChIKey=JGOKWXDQJRLPLM-IIAWOOMASA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Neuronal acetylcholine receptor (Rattus norvegicus (Rat)) | BDBM50263131 ((+)-7-Methyl-2-exo-[3'-(6-fluoropyridin-2-yl)-5'-p...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins UniVersity School of Medicine Curated by ChEMBL | Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 cells | J Med Chem 51: 4751-64 (2008) Article DOI: 10.1021/jm800323d BindingDB Entry DOI: 10.7270/Q23N249J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor subunit alpha-2 (Rattus norvegicus (Rat)) | BDBM50263131 ((+)-7-Methyl-2-exo-[3'-(6-fluoropyridin-2-yl)-5'-p...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins UniVersity School of Medicine Curated by ChEMBL | Assay Description Displacement of [3H]epibatidine from rat alpha2beta2 nAChR expressed in HEK293 cells | J Med Chem 51: 4751-64 (2008) Article DOI: 10.1021/jm800323d BindingDB Entry DOI: 10.7270/Q23N249J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor protein alpha-6 subunit (Rattus norvegicus) | BDBM50263131 ((+)-7-Methyl-2-exo-[3'-(6-fluoropyridin-2-yl)-5'-p...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 0.950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins UniVersity School of Medicine Curated by ChEMBL | Assay Description Displacement of [3H]epibatidine from rat alpha6beta2 nAChR expressed in HEK293 cells | J Med Chem 51: 4751-64 (2008) Article DOI: 10.1021/jm800323d BindingDB Entry DOI: 10.7270/Q23N249J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor subunit alpha-3 (Rattus norvegicus (Rat)) | BDBM50263131 ((+)-7-Methyl-2-exo-[3'-(6-fluoropyridin-2-yl)-5'-p...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins UniVersity School of Medicine Curated by ChEMBL | Assay Description Displacement of [3H]epibatidine from rat alpha3beta2 nAChR expressed in HEK293 cells | J Med Chem 51: 4751-64 (2008) Article DOI: 10.1021/jm800323d BindingDB Entry DOI: 10.7270/Q23N249J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor (Rattus norvegicus (Rat)) | BDBM50263131 ((+)-7-Methyl-2-exo-[3'-(6-fluoropyridin-2-yl)-5'-p...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins UniVersity School of Medicine Curated by ChEMBL | Assay Description Displacement of [3H]epibatidine from rat alpha4beta4 nAChR expressed in HEK293 cells | J Med Chem 51: 4751-64 (2008) Article DOI: 10.1021/jm800323d BindingDB Entry DOI: 10.7270/Q23N249J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor subunit alpha-2 (Rattus norvegicus (Rat)) | BDBM50263131 ((+)-7-Methyl-2-exo-[3'-(6-fluoropyridin-2-yl)-5'-p...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins UniVersity School of Medicine Curated by ChEMBL | Assay Description Displacement of [3H]epibatidine from rat alpha2beta4 nAChR expressed in HEK293 cells | J Med Chem 51: 4751-64 (2008) Article DOI: 10.1021/jm800323d BindingDB Entry DOI: 10.7270/Q23N249J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor subunit alpha-3 (Rattus norvegicus (Rat)) | BDBM50263131 ((+)-7-Methyl-2-exo-[3'-(6-fluoropyridin-2-yl)-5'-p...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins UniVersity School of Medicine Curated by ChEMBL | Assay Description Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK293 cells | J Med Chem 51: 4751-64 (2008) Article DOI: 10.1021/jm800323d BindingDB Entry DOI: 10.7270/Q23N249J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human)) | BDBM50263131 ((+)-7-Methyl-2-exo-[3'-(6-fluoropyridin-2-yl)-5'-p...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 0.540 | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins UniVersity School of Medicine Curated by ChEMBL | Assay Description Binding affinity to human alpha4beta2 nAChR expressed in human SHEP1 cells | J Med Chem 51: 4751-64 (2008) Article DOI: 10.1021/jm800323d BindingDB Entry DOI: 10.7270/Q23N249J | |||||||||||
More data for this Ligand-Target Pair |