BDBM50418206 CHEMBL1760668

SMILES: COc1ccc(cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCCC1(O)CCC1)C(F)(F)F

InChI Key: InChIKey=JZHOGDSTTRGANB-UHFFFAOYSA-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 = 50418206   

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))	BDBM50418206 (CHEMBL1760668) Show SMILES COc1ccc(cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCCC1(O)CCC1)C(F)(F)F Show InChI InChI=1S/C25H24F3N3O3/c1-34-22-6-4-19(25(26,27)28)12-18(22)15-31-20-5-3-16(14-29)11-17(20)13-21(31)23(32)30-10-9-24(33)7-2-8-24/h3-6,11-13,33H,2,7-10,15H2,1H3,(H,30,32)	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	1.48	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Antagonist activity against human CB1 receptor				Bioorg Med Chem Lett 21: 2034-9 (2011) Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM
					More data for this Ligand-Target Pair