BDBM50140313 CHEMBL428692::N-[(1R,2R)-2-(2-Isopropyl-2,3-dihydro-benzooxazol-7-yl)-cyclopropylmethyl]-propionamide
SMILES: CCC(=O)NC[C@@H]1C[C@H]1c1cccc2NC(Oc12)C(C)C
InChI Key: InChIKey=LLOKUONBZNWAHU-APBZJUGRSA-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)) | BDBM50140313 (CHEMBL428692 | N-[(1R,2R)-2-(2-Isopropyl-2,3-dihyd...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B | Bioorg Med Chem Lett 14: 1197-200 (2004) Article DOI: 10.1016/j.bmcl.2003.12.052 BindingDB Entry DOI: 10.7270/Q2CF9PJC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melatonin receptor (Homo sapiens (Human)) | BDBM50140313 (CHEMBL428692 | N-[(1R,2R)-2-(2-Isopropyl-2,3-dihyd...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A | Bioorg Med Chem Lett 14: 1197-200 (2004) Article DOI: 10.1016/j.bmcl.2003.12.052 BindingDB Entry DOI: 10.7270/Q2CF9PJC | |||||||||||
More data for this Ligand-Target Pair |