BDBM50260410 CHEMBL493424::N-(2-(5-Methoxycarbonylamino-benzo[b]furan-3-yl)ethyl)vinylacetamide::methyl 3-(2-but-3-enamidoethyl)benzofuran-5-ylcarbamate
SMILES: COC(=O)Nc1ccc2occ(CCNC(=O)CC=C)c2c1
InChI Key: InChIKey=UOEGGYOPOMYPQQ-UHFFFAOYSA-N
Data: 3 IC50
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)) | BDBM50260410 (CHEMBL493424 | N-(2-(5-Methoxycarbonylamino-benzo[...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille Curated by ChEMBL | Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells | Bioorg Med Chem 16: 4954-62 (2008) Article DOI: 10.1016/j.bmc.2008.03.036 BindingDB Entry DOI: 10.7270/Q2JM29DN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human)) | BDBM50260410 (CHEMBL493424 | N-(2-(5-Methoxycarbonylamino-benzo[...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 11.0 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University Curated by ChEMBL | Assay Description Displacement of [125I]iodomelatonin from MT3/QR2 melatonin binding site expressed in CHO cells | Eur J Med Chem 43: 2861-9 (2008) Article DOI: 10.1016/j.ejmech.2008.02.012 BindingDB Entry DOI: 10.7270/Q21C1Z31 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melatonin receptor (Homo sapiens (Human)) | BDBM50260410 (CHEMBL493424 | N-(2-(5-Methoxycarbonylamino-benzo[...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille Curated by ChEMBL | Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK293 cells | Bioorg Med Chem 16: 4954-62 (2008) Article DOI: 10.1016/j.bmc.2008.03.036 BindingDB Entry DOI: 10.7270/Q2JM29DN | |||||||||||
More data for this Ligand-Target Pair |