BDBM50142223 CHEMBL7990::N-{4-[(3-Methoxy-phenyl)-methyl-amino]-phenyl}-isobutyramide
SMILES: COc1cccc(c1)N(C)c1ccc(NC(=O)C(C)C)cc1
InChI Key: InChIKey=XMQJJKFSSLPUQX-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)) | BDBM50142223 (CHEMBL7990 | N-{4-[(3-Methoxy-phenyl)-methyl-amino...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5.5 | 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)) | BDBM50142223 (CHEMBL7990 | N-{4-[(3-Methoxy-phenyl)-methyl-amino...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 106 | 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 |