BDBM50066960 CHEMBL33700::N-(2-(5-methoxy-1-methyl-1H-indol-3-yl)ethyl)acetamide::N-[2-(5-Methoxy-1-methyl-1H-indol-3-yl)-ethyl]-acetamide
SMILES: COc1ccc2n(C)cc(CCNC(C)=O)c2c1
InChI Key: InChIKey=GSMWHFKFNGUYRN-UHFFFAOYSA-N
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)) | BDBM50066960 (CHEMBL33700 | N-(2-(5-methoxy-1-methyl-1H-indol-3-...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma Curated by ChEMBL | Assay Description Binding Affinity (pKi) towards human Melatonin receptor type 1B | J Med Chem 46: 1429-39 (2003) Article DOI: 10.1021/jm020982d BindingDB Entry DOI: 10.7270/Q2DN47T2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melatonin receptor (Homo sapiens (Human)) | BDBM50066960 (CHEMBL33700 | N-(2-(5-methoxy-1-methyl-1H-indol-3-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma Curated by ChEMBL | Assay Description Binding Affinity (pKi) towards human Melatonin receptor type 1A | J Med Chem 46: 1429-39 (2003) Article DOI: 10.1021/jm020982d BindingDB Entry DOI: 10.7270/Q2DN47T2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melatonin receptor (Homo sapiens (Human)) | BDBM50066960 (CHEMBL33700 | N-(2-(5-methoxy-1-methyl-1H-indol-3-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 2.60 | 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)) | BDBM50066960 (CHEMBL33700 | N-(2-(5-methoxy-1-methyl-1H-indol-3-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 2.80 | 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 | |||||||||||||
Melatonin receptor (Homo sapiens (Human)) | BDBM50066960 (CHEMBL33700 | N-(2-(5-methoxy-1-methyl-1H-indol-3-...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 3.10 | 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 (Homo sapiens (Human)) | BDBM50066960 (CHEMBL33700 | N-(2-(5-methoxy-1-methyl-1H-indol-3-...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano Curated by ChEMBL | Assay Description Binding affinity for Melatonin receptor using 2-[125I]iodomelatonin as radioligand | J Med Chem 41: 3831-44 (1998) Article DOI: 10.1021/jm9810093 BindingDB Entry DOI: 10.7270/Q2ZC85M8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melatonin receptor type 1C (Gallus gallus) | BDBM50066960 (CHEMBL33700 | N-(2-(5-methoxy-1-methyl-1H-indol-3-...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | 254 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Assay Description Binding affinity towards melatonin receptor was determined using 2-[125I]iodomelatonin as radioligand in chick brain membranes | Citation and Details BindingDB Entry DOI: 10.7270/Q2CZ39B1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human)) | BDBM50066960 (CHEMBL33700 | N-(2-(5-methoxy-1-methyl-1H-indol-3-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.82 | 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)) | BDBM50066960 (CHEMBL33700 | N-(2-(5-methoxy-1-methyl-1H-indol-3-...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano Curated by ChEMBL | Assay Description inhibitory concentration against Melatonin receptor | J Med Chem 41: 3831-44 (1998) Article DOI: 10.1021/jm9810093 BindingDB Entry DOI: 10.7270/Q2ZC85M8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human)) | BDBM50066960 (CHEMBL33700 | N-(2-(5-methoxy-1-methyl-1H-indol-3-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Lomonosov Moscow State University Curated by ChEMBL | Assay Description Inhibition of QR2 (unknown origin) using MTT and NMeH as substrates | Bioorg Med Chem Lett 27: 3787-3793 (2017) Article DOI: 10.1016/j.bmcl.2017.06.065 BindingDB Entry DOI: 10.7270/Q27D2XMX | |||||||||||
More data for this Ligand-Target Pair |