BDBM50266453 CHEMBL513933::N-(2-{5-Methoxy-2-[(6-nitro-2,3-dihydro-1H-indol-1yl)methyl)]-1H-indole-3-yl}ethyl) acetamide
SMILES: COc1ccc2[nH]c(CN3CCc4ccc(cc34)[N+]([O-])=O)c(CCNC(C)=O)c2c1
InChI Key: InChIKey=IDSDEOVVGPJJEU-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)) | BDBM50266453![]() (CHEMBL513933 | N-(2-{5-Methoxy-2-[(6-nitro-2,3-dih...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Würzburg Curated by ChEMBL | Assay Description Displacement of 2-[125I]Iodomelatonin from human MT2 receptor expressed in CHO cells | J Med Chem 52: 826-33 (2009) Article DOI: 10.1021/jm800974d BindingDB Entry DOI: 10.7270/Q21J99N3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melatonin receptor (Homo sapiens (Human)) | BDBM50266453![]() (CHEMBL513933 | N-(2-{5-Methoxy-2-[(6-nitro-2,3-dih...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 309 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Würzburg Curated by ChEMBL | Assay Description Displacement of 2-[125I]Iodomelatonin from human MT1 receptor expressed in CHO cells | J Med Chem 52: 826-33 (2009) Article DOI: 10.1021/jm800974d BindingDB Entry DOI: 10.7270/Q21J99N3 | |||||||||||
More data for this Ligand-Target Pair |