BDBM50217218 CHEMBL227329::N-{(1S,2S)-2-(3-cyanophenyl)-3-[4-(2-fluoroethoxy)phenyl]-1-methylpropyl}-2-methyl-2-(pyridin-2-yloxy)propanamide

SMILES: C[C@H](NC(=O)C(C)(C)Oc1ccccn1)[C@@H](Cc1ccc(OCCF)cc1)c1cccc(c1)C#N

InChI Key: InChIKey=STVLTTVKNYWEFV-NBGIEHNGSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50217218   

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))	BDBM50217218 (CHEMBL227329 | N-{(1S,2S)-2-(3-cyanophenyl)-3-[4-(...) Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccccn1)[C@@H](Cc1ccc(OCCF)cc1)c1cccc(c1)C#N Show InChI InChI=1S/C28H30FN3O3/c1-20(32-27(33)28(2,3)35-26-9-4-5-15-31-26)25(23-8-6-7-22(17-23)19-30)18-21-10-12-24(13-11-21)34-16-14-29/h4-13,15,17,20,25H,14,16,18H2,1-3H3,(H,32,33)/t20-,25+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30	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