BDBM21307 6-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indol-5-ol::Tetrahydropyranyl-methyl analogue, 28
SMILES: COc1cc2n(CC3CCOCC3)cc(C(=O)C3C(C)(C)C3(C)C)c2cc1O
InChI Key: InChIKey=YGUUURKMKPALCH-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cannabinoid receptor 2 (Homo sapiens (Human)) | BDBM21307 (6-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramet...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.700 | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Abbott Laboratories | Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c... | J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 2 (Homo sapiens (Human)) | BDBM21307 (6-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramet...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena Curated by ChEMBL | Assay Description Displacement of [3H]CP 55940 from human CB2 receptor in cell free system | Eur J Med Chem 46: 547-55 (2011) Article DOI: 10.1016/j.ejmech.2010.11.034 BindingDB Entry DOI: 10.7270/Q2CF9QCJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM21307 (6-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramet...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena Curated by ChEMBL | Assay Description Displacement of [3H]CP 55940 from human CB1 receptor in cell free system | Eur J Med Chem 46: 547-55 (2011) Article DOI: 10.1016/j.ejmech.2010.11.034 BindingDB Entry DOI: 10.7270/Q2CF9QCJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM21307 (6-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramet...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 783 | -8.46 | n/a | n/a | n/a | n/a | n/a | 7.4 | 30 |
Abbott Laboratories | Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c... | J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2 | |||||||||||
More data for this Ligand-Target Pair |