BDBM50142225 CHEMBL8032::N-[4-(Benzo[1,3]dioxol-4-yloxy)-phenyl]-butyramide
SMILES: CCCC(=O)Nc1ccc(Oc2cccc3OCCOc23)cc1
InChI Key: InChIKey=POEXRTQJEGABJT-UHFFFAOYSA-N
Data: 2 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Melatonin receptor (Homo sapiens (Human)) | BDBM50142225 (CHEMBL8032 | N-[4-(Benzo[1,3]dioxol-4-yloxy)-pheny...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Binding affinity towards human melatonin receptor type 1B | Bioorg Med Chem Lett 14: 1023-6 (2004) Article DOI: 10.1016/j.bmcl.2003.11.030 BindingDB Entry DOI: 10.7270/Q2HT2NSG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melatonin receptor (Homo sapiens (Human)) | BDBM50142225 (CHEMBL8032 | N-[4-(Benzo[1,3]dioxol-4-yloxy)-pheny...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 92 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Binding affinity towards human melatonin receptor type 1A | Bioorg Med Chem Lett 14: 1023-6 (2004) Article DOI: 10.1016/j.bmcl.2003.11.030 BindingDB Entry DOI: 10.7270/Q2HT2NSG | |||||||||||
More data for this Ligand-Target Pair |