BDBM50136405 1-[(S)-1-(2,3-Dihydro-benzofuran-4-yl)-pyrrolidin-3-yl]-3-methyl-urea::CHEMBL138012
SMILES: CNC(=O)N[C@H]1CCN(C1)c1cccc2OCCc12
InChI Key: InChIKey=YEWRWUULGQJYFI-JTQLQIEISA-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)) | BDBM50136405 (1-[(S)-1-(2,3-Dihydro-benzofuran-4-yl)-pyrrolidin-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.900 | 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 affinity against human MT1 melatonin receptor expressed in NIH3T3 cells. | Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melatonin receptor (Homo sapiens (Human)) | BDBM50136405 (1-[(S)-1-(2,3-Dihydro-benzofuran-4-yl)-pyrrolidin-...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.940 | 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 affinity against human MT2 melatonin receptor expressed in NIH3T3 cells | Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK | |||||||||||
More data for this Ligand-Target Pair |