BDBM50112204 CHEMBL52755::N-[2-(2-Iodo-5-methoxy-6-nitro-1H-indol-3-yl)-ethyl]-acetamide
SMILES: COc1cc2c(CCNC(C)=O)c(I)[nH]c2cc1[N+]([O-])=O
InChI Key: InChIKey=XDXQGYQOFIFBMS-UHFFFAOYSA-N
Data: 3 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 type 1B (Homo sapiens (Human)) | BDBM50112204 (CHEMBL52755 | N-[2-(2-Iodo-5-methoxy-6-nitro-1H-in...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Chimie Pharmaceutique Albert Lespagnol Curated by ChEMBL | Assay Description Inhibition of 2-[125I]iodomelatonin binding to human Melatonin receptor type 1B expressed in HEK293 cells | J Med Chem 45: 1853-9 (2002) BindingDB Entry DOI: 10.7270/Q2V69HX5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melatonin receptor type 1A (Homo sapiens (Human)) | BDBM50112204 (CHEMBL52755 | N-[2-(2-Iodo-5-methoxy-6-nitro-1H-in...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Chimie Pharmaceutique Albert Lespagnol Curated by ChEMBL | Assay Description Inhibition of 2-[125I]iodomelatonin binding to human Melatonin receptor type 1A expressed in HEK293 cells | J Med Chem 45: 1853-9 (2002) BindingDB Entry DOI: 10.7270/Q2V69HX5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human)) | BDBM50112204 (CHEMBL52755 | N-[2-(2-Iodo-5-methoxy-6-nitro-1H-in...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Chimie Pharmaceutique Albert Lespagnol Curated by ChEMBL | Assay Description Inhibition of 2-[125I]iodomelatonin binding to Melatonin receptor 3 (MT3) of Syrian hamster brain membrane | J Med Chem 45: 1853-9 (2002) BindingDB Entry DOI: 10.7270/Q2V69HX5 | |||||||||||
More data for this Ligand-Target Pair |