BDBM50232609 CHEMBL4098776
SMILES: C1N=C(Nc2nccc(n2)-c2ccccc2)O[C@]11CN2CCC1CC2
InChI Key: InChIKey=WFICFPATVCYBBX-IBGZPJMESA-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 Alpha-4/Beta-2 (Homo sapiens (Human)) | BDBM50232609 (CHEMBL4098776) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Agonist activity at alpha4beta2 nAChR (unknown origin) assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIPR assay | Bioorg Med Chem Lett 27: 1261-1266 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2K1D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon (Homo sapiens (Human)) | BDBM50232609 (CHEMBL4098776) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Agonist activity at alpha1beta1deltaepsilon nAChR (unknown origin) assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based ... | Bioorg Med Chem Lett 27: 1261-1266 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2K1D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 3A (Homo sapiens (Human)) | BDBM50232609 (CHEMBL4098776) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay | Bioorg Med Chem Lett 27: 1261-1266 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2K1D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor (Rattus norvegicus (Rat)) | BDBM50232609 (CHEMBL4098776) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 7.90 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIP... | Bioorg Med Chem Lett 27: 1261-1266 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2K1D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor; alpha3/beta4 (Homo sapiens (Human)) | BDBM50232609 (CHEMBL4098776) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Agonist activity at alpha3beta4 nAChR (unknown origin) assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIPR assay | Bioorg Med Chem Lett 27: 1261-1266 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2K1D | |||||||||||
More data for this Ligand-Target Pair |