BDBM50217221 CHEMBL376767::N-{(1S,2S)-2-(3-cyano-5-fluorophenyl)-3-[4-(2-fluoroethoxy)phenyl)]-1-methylpropyl}-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]oxy}propanamide
SMILES: C[C@H](NC(=O)C(C)(C)Oc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(OCCF)cc1)c1cc(F)cc(c1)C#N
InChI Key: InChIKey=ISOBQBOKEVAOGY-AVRWGWEMSA-N
Data: 1 IC50
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 1 (Homo sapiens (Human)) | BDBM50217221 (CHEMBL376767 | N-{(1S,2S)-2-(3-cyano-5-fluoropheny...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells | J Med Chem 50: 3427-30 (2007) Article DOI: 10.1021/jm070131b BindingDB Entry DOI: 10.7270/Q2Z037VJ | |||||||||||
More data for this Ligand-Target Pair |