BDBM50097067 CHEMBL3580917
SMILES: COc1ccc2[nH]cc(CCc3nnco3)c2c1
InChI Key: InChIKey=CCWOIVFWOGTGCZ-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)) | BDBM50097067 (CHEMBL3580917) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IQM-CSIC Curated by ChEMBL | Assay Description Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-2 transfected in CHO cell membranes after 120 mins | J Med Chem 58: 4998-5014 (2015) Article DOI: 10.1021/acs.jmedchem.5b00245 BindingDB Entry DOI: 10.7270/Q2JM2CDG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melatonin receptor (Homo sapiens (Human)) | BDBM50097067 (CHEMBL3580917) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IQM-CSIC Curated by ChEMBL | Assay Description Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-1 transfected in CHO cell membranes after 120 mins | J Med Chem 58: 4998-5014 (2015) Article DOI: 10.1021/acs.jmedchem.5b00245 BindingDB Entry DOI: 10.7270/Q2JM2CDG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melatonin receptor (Homo sapiens (Human)) | BDBM50097067 (CHEMBL3580917) | 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 | 457 | n/a | n/a | n/a | n/a |
IQM-CSIC Curated by ChEMBL | Assay Description Agonist activity at human melatonin receptor-2 transfected in CHO cell membranes after 1 hr by GTPgammaS binding assay | J Med Chem 58: 4998-5014 (2015) Article DOI: 10.1021/acs.jmedchem.5b00245 BindingDB Entry DOI: 10.7270/Q2JM2CDG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melatonin receptor (Homo sapiens (Human)) | BDBM50097067 (CHEMBL3580917) | 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 | >1.00E+3 | n/a | n/a | n/a | n/a |
IQM-CSIC Curated by ChEMBL | Assay Description Agonist activity at human melatonin receptor-1 transfected in CHO cell membranes after 1 hr by GTPgammaS binding assay | J Med Chem 58: 4998-5014 (2015) Article DOI: 10.1021/acs.jmedchem.5b00245 BindingDB Entry DOI: 10.7270/Q2JM2CDG | |||||||||||
More data for this Ligand-Target Pair |