BDBM50142202 CHEMBL7771::N-[4-(3-Methoxy-phenylsulfanyl)-phenyl]-butyramide
SMILES: CCCC(=O)Nc1ccc(Sc2cccc(OC)c2)cc1
InChI Key: InChIKey=RTALXWKIMYGOCP-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)) | BDBM50142202 (CHEMBL7771 | N-[4-(3-Methoxy-phenylsulfanyl)-pheny...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.190 | 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)) | BDBM50142202 (CHEMBL7771 | N-[4-(3-Methoxy-phenylsulfanyl)-pheny...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 29 | 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 |