BDBM50125757 CHEMBL14453::N,N'-(2,2'-(7,7'-(butane-1,4-diylbis(oxy))bis(naphthalene-7,1-diyl))bis(ethane-2,1-diyl))diacetamide::N-[2-(7-{4-[8-(2-Acetylamino-ethyl)-naphthalen-2-yloxy]-butoxy}-naphthalen-1-yl)-ethyl]-acetamide
SMILES: CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
InChI Key: InChIKey=AGGOYESCDGTCOY-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)) | BDBM50125757 (CHEMBL14453 | N,N'-(2,2'-(7,7'-(butane-1,4-diylbis...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The German University in Cairo Curated by ChEMBL | Assay Description Binding affinity to MT1 receptor (unknown origin) expressed in HEK cells | J Med Chem 57: 3161-85 (2014) Article DOI: 10.1021/jm401343c BindingDB Entry DOI: 10.7270/Q218381K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melatonin receptor (Homo sapiens (Human)) | BDBM50125757 (CHEMBL14453 | N,N'-(2,2'-(7,7'-(butane-1,4-diylbis...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2 Curated by ChEMBL | Assay Description Binding affinity for human Melatonin receptor type 1A stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra... | J Med Chem 46: 1127-9 (2003) Article DOI: 10.1021/jm0255872 BindingDB Entry DOI: 10.7270/Q2FT8KDC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melatonin receptor (Homo sapiens (Human)) | BDBM50125757 (CHEMBL14453 | N,N'-(2,2'-(7,7'-(butane-1,4-diylbis...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ Lille Nord de France Curated by ChEMBL | Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells | Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melatonin receptor (Homo sapiens (Human)) | BDBM50125757 (CHEMBL14453 | N,N'-(2,2'-(7,7'-(butane-1,4-diylbis...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The German University in Cairo Curated by ChEMBL | Assay Description Displacement of [125I]2-iodomelatonin from human MT1 receptor expressed in CHO cells | J Med Chem 57: 3161-85 (2014) Article DOI: 10.1021/jm401343c BindingDB Entry DOI: 10.7270/Q218381K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melatonin receptor (Homo sapiens (Human)) | BDBM50125757 (CHEMBL14453 | N,N'-(2,2'-(7,7'-(butane-1,4-diylbis...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 72.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2 Curated by ChEMBL | Assay Description Binding affinity for human Melatonin receptor type 1B stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra... | J Med Chem 46: 1127-9 (2003) Article DOI: 10.1021/jm0255872 BindingDB Entry DOI: 10.7270/Q2FT8KDC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melatonin receptor (Homo sapiens (Human)) | BDBM50125757 (CHEMBL14453 | N,N'-(2,2'-(7,7'-(butane-1,4-diylbis...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The German University in Cairo Curated by ChEMBL | Assay Description Binding affinity to MT2 receptor (unknown origin) expressed in HEK cells | J Med Chem 57: 3161-85 (2014) Article DOI: 10.1021/jm401343c BindingDB Entry DOI: 10.7270/Q218381K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melatonin receptor (Homo sapiens (Human)) | BDBM50125757 (CHEMBL14453 | N,N'-(2,2'-(7,7'-(butane-1,4-diylbis...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ Lille Nord de France Curated by ChEMBL | Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells | Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melatonin receptor (Homo sapiens (Human)) | BDBM50125757 (CHEMBL14453 | N,N'-(2,2'-(7,7'-(butane-1,4-diylbis...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 167 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The German University in Cairo Curated by ChEMBL | Assay Description Displacement of [125I]2-iodomelatonin from human MT2 receptor expressed in CHO cells | J Med Chem 57: 3161-85 (2014) Article DOI: 10.1021/jm401343c BindingDB Entry DOI: 10.7270/Q218381K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melatonin receptor (Homo sapiens (Human)) | BDBM50125757 (CHEMBL14453 | N,N'-(2,2'-(7,7'-(butane-1,4-diylbis...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 405 | n/a | n/a | n/a | n/a |
Univ Lille Nord de France Curated by ChEMBL | Assay Description Agonist activity at human human MT2 receptor expressed in CHO cells by [35S]GTPgamma binding assay | Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melatonin receptor (Homo sapiens (Human)) | BDBM50125757 (CHEMBL14453 | N,N'-(2,2'-(7,7'-(butane-1,4-diylbis...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 73 | n/a | n/a | n/a | n/a |
Univ Lille Nord de France Curated by ChEMBL | Assay Description Agonist activity at human human MT1 receptor expressed in CHO cells by [35S]GTPgamma binding assay | Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07 | |||||||||||
More data for this Ligand-Target Pair |