BDBM50187453 1-(6-bromo-5-chloropyridin-3-yl)-1,4-diazepane::1-(6-bromo-5-chloropyridin-3-yl)-[1,4]-diazepane::CHEMBL377615
SMILES: Clc1cc(cnc1Br)N1CCCNCC1
InChI Key: InChIKey=WPYTXBRSQCLTAR-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human)) | BDBM50187453 (1-(6-bromo-5-chloropyridin-3-yl)-1,4-diazepane | 1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.41 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Turin Curated by ChEMBL | Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells | J Med Chem 52: 2311-6 (2009) Article DOI: 10.1021/jm801060h BindingDB Entry DOI: 10.7270/Q2XK8GS0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat)) | BDBM50187453 (1-(6-bromo-5-chloropyridin-3-yl)-1,4-diazepane | 1...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
NeuroSearch A/S Curated by ChEMBL | Assay Description Inhibition of [3H]cytisine binding to alpha4beta2 nACHR in Wistar rat cerebral cortical membrane | J Med Chem 49: 3159-71 (2006) Article DOI: 10.1021/jm058058h BindingDB Entry DOI: 10.7270/Q2C53PM7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human)) | BDBM50187453 (1-(6-bromo-5-chloropyridin-3-yl)-1,4-diazepane | 1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 15.1 | n/a | n/a | n/a | n/a |
University of Turin Curated by ChEMBL | Assay Description Agonist activity at human alpha4beta2 nAChR expressed in HEK293 cells assessed as intracellular calcium level by FLIPR assay | J Med Chem 52: 2311-6 (2009) Article DOI: 10.1021/jm801060h BindingDB Entry DOI: 10.7270/Q2XK8GS0 | |||||||||||
More data for this Ligand-Target Pair |